************************************************************************
* This file is part of OpenMolcas.                                     *
*                                                                      *
* OpenMolcas is free software; you can redistribute it and/or modify   *
* it under the terms of the GNU Lesser General Public License, v. 2.1. *
* OpenMolcas is distributed in the hope that it will be useful, but it *
* is provided "as is" and without any express or implied warranties.   *
* For more details see the full text of the license in the file        *
* LICENSE or in <http://www.gnu.org/licenses/>.                        *
************************************************************************

#Hamiltonian RCP
#Nucleus UNK
#Contraction RAF
#AllElectron NAE

********************************************************************************
* See the file AIMP.README                                                     *
********************************************************************************

********************************************************************************
*    C.3. Douglas-Kroll-Hess (No-Pair) relativistic core AIMPs:
********************************************************************************
*                                                                  recommended
*                                                                  contraction
*       C.3.2. Transition Metal Elements
*         C.3.2.1. First Series Transition Metal Elements (core [Ne])
*           /Sc.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.11el.
*           /Ti.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.12el.
*           /V.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.13el.
*           /Cr.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.14el.
*           /Mn.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.15el.
*           /Fe.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.16el.
*           /Co.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.17el.
*           /Ni.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.18el.
*           /Cu.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.19el.
*           /Zn.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.20el.
*         C.3.2.2. Second Series Transition Metal Elements (core [Ar,3d])
*           /Y.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.11el.
*           /Zr.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.12el.
*           /Nb.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.13el.
*           /Mo.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.14el.
*           /Tc.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.15el.
*           /Ru.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.16el.
*           /Rh.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.17el.
*           /Pd.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.18el.
*           /Ag.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.19el.
*           /Cd.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.20el.
*         C.3.2.3. Third Series Transition Metal Elements (core [Kr,4d,4f])
*           /Hf.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.12el.
*           /Hf.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.12el.
*           /Ta.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.13el.
*           /Ta.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.13el.
*           /W.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.14el.
*           /W.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.14el.
*           /Re.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.15el.
*           /Re.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.15el.
*           /Os.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.16el.
*           /Os.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.16el.
*           /Ir.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.17el.
*           /Ir.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.17el.
*           /Pt.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.18el.
*           /Pt.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.18el.
*           /Au.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.19el.
*           /Au.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.19el.
*           /Hg.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.20el.
*           /Hg.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.20el.
*       C.3.3. f-Elements
*         C.3.3.1.a. Lanthanide Elements (core [Kr,4d])
*           /Ce.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.12el.       6s5p5d4f
*           /Pr.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.13el.       6s5p5d4f
*           /Nd.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.14el.       6s5p5d4f
*           /Pm.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.15el.       6s5p5d4f
*           /Sm.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.16el.       6s5p5d4f
*           /Eu.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.17el.       6s5p5d4f
*           /Gd.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.18el.       6s5p5d4f
*           /Tb.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.19el.       6s5p5d4f
*           /Dy.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.20el.       6s5p5d4f
*           /Ho.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.21el.       6s5p5d4f
*           /Er.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.22el.       6s5p5d4f
*           /Tm.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.23el.       6s5p5d4f
*           /Yb.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.24el.       6s5p5d4f
*           /Lu.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.25el.       6s5p5d4f
*         C.3.3.2.a. Actinide Elements (core [Xe,4f,5d])
*           /Th.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.12el.      6s5p5d4f
*           /Pa.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.13el.      6s5p5d4f
*           /U.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.14el.       6s5p5d4f
*           /Np.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.15el.      6s5p5d4f
*           /Pu.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.16el.      6s5p5d4f
*           /Am.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.17el.      6s5p5d4f
*           /Cm.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.18el.      6s5p5d4f
*           /Bk.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.19el.      6s5p5d4f
*           /Cf.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.20el.      6s5p5d4f
*           /Es.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.21el.      6s5p5d4f
*           /Fm.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.22el.      6s5p5d4f
*           /Md.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.23el.      6s5p5d4f
*           /No.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.24el.      6s5p5d4f
*           /Lr.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.25el.      6s5p5d4f
*         C.3.3.2.b. Actinide Elements (core [Xe,4f])
*           /Th.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.22el.      6s5p6d4f
*           /Pa.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.23el.      6s5p6d4f
*           /U.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.24el.       6s5p6d4f
*           /Np.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.25el.      6s5p6d4f
*           /Pu.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.26el.      6s5p6d4f
*           /Am.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.27el.      6s5p6d4f
*           /Cm.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.28el.      6s5p6d4f
*           /Bk.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.29el.      6s5p6d4f
*           /Cf.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.30el.      6s5p6d4f
*           /Es.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.31el.      6s5p6d4f
*           /Fm.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.32el.      6s5p6d4f
*           /Md.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.33el.      6s5p6d4f
*           /No.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.34el.      6s5p6d4f
*           /Lr.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.35el.      6s5p6d4f
********************************************************************************

********************************************************************************
*       C.3.2. Transition Metal Elements
********************************************************************************
*
*  References:
*
*    - F. Rakowitz, C.M. Marian, L. Seijo, U. Wahlgren. J. Chem. Phys. 110 (1999) 3678-3686. doi:10.1063/1.478257
*
*    - F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
*
********************************************************************************
*         C.3.2.1. First Series Transition Metal Elements (core [Ne])
********************************************************************************
*  - 2nd order Douglas-Kroll-Hess
*  - p polarization functions:
*    S. Huzinaga (Editor), J. Andzelm, M. Klobukowski, E. Radzio-Andzelm, Y. Sakai, H. Tatewaki.
*    "Gaussian Basis Sets for Molecular Calculations" (Elsevier, Amsterdam, 1984).
*  - f polarization functions:
*       - Slater exponents:
*         C.W. Bauschlicher, Jr., S.R. Langhoff, H. Partridge, L.A. Barnes. J. Chem. Phys. 91 (1989) 2399-2411. doi:10.1063/1.456998
*       - 3-GTO expansion:
*         R.F. Stewart. J. Chem. Phys. 52 (1970) 431-438. doi:10.1063/1.1672702
********************************************************************************

/Sc.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.11el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
SCANDIUM (9s,6p,6d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ne] (9/51/6/3)
*SC-NP-(d1s2)2D-(9/51/6/3)
********************************************************************************
    11.0   3
* s-type functions
    9    5
       2585.35502000
        379.24007100
         83.92443370
          7.76326000
          3.07226158
          1.30511709
       4952.39167e-4
       7040.92325e-5
       2768.14925e-5
  0.006090008370  0.001500079850  0.000000000000  0.000000000000  0.000000000000
  0.038548868400  0.009503186650  0.000000000000  0.000000000000  0.000000000000
  0.115745182000  0.028720858600  0.000000000000  0.000000000000  0.000000000000
 -0.461299224000 -0.122244057000  0.000000000000  0.000000000000  0.000000000000
 -0.338359455000 -0.092394325400  0.000000000000  0.000000000000  0.000000000000
  0.640201047000  0.203384092000  0.000000000000  0.000000000000  0.000000000000
  0.674203070000  0.379278032000  1.000000000000  0.000000000000  0.000000000000
  0.026253504400 -0.713947875000  0.000000000000  1.000000000000  0.000000000000
 -0.004160297080 -0.435595598000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    6    4
        168.67547800
         38.66119230
         11.32213240
          1.29863135
       4347.32651e-4
          0.06700000
 -0.017629939000  0.000000000000  0.000000000000  0.000000000000
 -0.101048397000  0.000000000000  0.000000000000  0.000000000000
 -0.230028966000  0.000000000000  0.000000000000  0.000000000000
  0.611361133000  1.000000000000  0.000000000000  0.000000000000
  0.480246892000  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    6    4
         19.40826630
          5.14942471
          1.65956538
       5393.02448e-4
       1611.69796e-4
          0.05880000
  0.026131785000  0.000000000000  0.000000000000  0.000000000000
  0.134479416000  0.000000000000  0.000000000000  0.000000000000
  0.340252580000  0.000000000000  0.000000000000  0.000000000000
  0.485486084000  1.000000000000  0.000000000000  0.000000000000
  0.336970202000  0.000000000000  1.000000000000  0.000000000000
  0.042747760600  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
      89185.96649e-5
       3198.41423e-4
      13695.98865e-5
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: SC-NP-(d1s2)2D-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  3.6158100000e5  5.4430500000e4  1.2570400000e4  3.4649200000e3  1.0852600000e3  3.7576600000e2  1.3113900000e2 42.194500000000 17.461300000000  7.825920000000
  0.010792459273  0.013260596636  0.024186061727  0.042800875909  0.072634024000  0.103295719091  0.107136608182  0.200293510000  0.269164295455  0.065526759000
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  3.3363385000e2 38.520674000000
     595831.95000000
      89262.93200000
      20314.54900000
       5752.75870000
       1875.82490000
        676.36545000
        262.84903000
        108.03945000
         45.84576200
         17.59919300
          8.17580600
          3.70731900
          1.15103400
          0.46961800
          0.07344400
          0.02915200
  0.000377015940 -0.000111626300
  0.001233093400 -0.000365867051
  0.003990532500 -0.001187185800
  0.012659267000 -0.003799801610
  0.039237786000 -0.011965161000
  0.109570110000 -0.034985503100
  0.249300990000 -0.087777504100
  0.389939320000 -0.174205770000
  0.300079980000 -0.194762150000
  0.055417513000  0.124383630000
 -0.006474265300  0.597915331000
  0.002790290200  0.410177791000
 -0.000909038270  0.030160604000
  0.000334466200 -0.003971686710
 -0.000090784441  0.001034767200
  0.000043449469 -0.000483913101
   11    1
 31.368591000000
       3038.01120000
        720.01728000
        233.16928000
         88.30313200
         36.83342500
         16.24220000
          7.41303600
          3.43545800
          1.50379100
          0.64245000
          0.25791000
  0.000565759023
  0.003816311220
  0.019140878100
  0.071302624400
  0.192886921000
  0.353851742000
  0.380554052000
  0.162787521000
  0.014539020100
  0.000433247132
 -0.000018201333
Spectral Representation Operator
External primitive basis
    3
   16
       2585.35502000
        379.24007100
         83.92443370
          7.76326000
          3.07226158
          1.30511709
       4952.39167e-4
       7040.92325e-5
       2768.14925e-5
     595831.95000000
      89262.93200000
      20314.54900000
       5752.75870000
        676.36545000
         45.84576200
         17.59919300
   11
        168.67547800
         38.66119230
         11.32213240
          1.29863135
       4347.32651e-4
          0.06700000
       3038.01120000
        720.01728000
         88.30313200
         16.24220000
          3.43545800
    7
         19.40826630
          5.14942471
          1.65956538
       5393.02448e-4
       1611.69796e-4
          0.05880000
         73.62056800
    3
      89185.96649e-5
       3198.41423e-4
      13695.98865e-5
Exchange
NoPair
End of Spectral Representation Operator

/Ti.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.12el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
TITANIUM (9s,6p,6d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ne] (9/51/6/3)
*TI-NP-(d2s2)3F-(9/51/6/3)
********************************************************************************
    12.0   3
* s-type functions
    9    5
       2866.39157000
        419.27891800
         92.74846200
          8.66336980
          3.45908896
          1.46306287
       5588.77832e-4
       7828.33798e-5
       3025.15326e-5
  0.006263404312  0.001493412090  0.000000000000  0.000000000000  0.000000000000
  0.039448879961  0.009414607493  0.000000000000  0.000000000000  0.000000000000
  0.118701574335  0.028517951120  0.000000000000  0.000000000000  0.000000000000
 -0.474441311068 -0.121953876576  0.000000000000  0.000000000000  0.000000000000
 -0.329943607096 -0.087189349413  0.000000000000  0.000000000000  0.000000000000
  0.650482816910  0.201703787739  0.000000000000  0.000000000000  0.000000000000
  0.663808210495  0.362888201304  1.000000000000  0.000000000000  0.000000000000
  0.024688149167 -0.693436837938  0.000000000000  1.000000000000  0.000000000000
 -0.004957429513 -0.452411540422  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    6    4
        190.31453200
         43.67077230
         12.85323600
          1.49173883
          0.49884322
          0.07300000
 -0.017697213843  0.000000000000  0.000000000000  0.000000000000
 -0.102228214173  0.000000000000  0.000000000000  0.000000000000
 -0.234955352863  0.000000000000  0.000000000000  0.000000000000
  0.614958174538  1.000000000000  0.000000000000  0.000000000000
  0.476871299047  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    6    4
         23.51654780
          6.33051398
          2.07036340
       6865.64691e-4
          0.20931527
          0.07200000
  0.026293930741  0.000000000000  0.000000000000  0.000000000000
  0.137182438097  0.000000000000  0.000000000000  0.000000000000
  0.350262910046  0.000000000000  0.000000000000  0.000000000000
  0.488624812622  1.000000000000  0.000000000000  0.000000000000
  0.316495004748  0.000000000000  1.000000000000  0.000000000000
  0.034362747940  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
      13935.30726e-4
      49975.22235e-5
      21399.98227e-5
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: TI-NP-(d2s2)3F-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  3.7119800000e5  5.7107400000e4  1.3407400000e4  3.7387200000e3  1.1822700000e3  4.1233200000e2  1.4456700000e2 46.808900000000 19.498000000000  8.781450000000
  0.010244906583  0.012366356667  0.022422707750  0.039518527667  0.066682695083  0.094591245833  0.098405043333  0.184224022500  0.245913230000  0.058964598167
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  3.6878566000e2 43.297192000000
     654125.31000000
      97995.93300000
      22302.01200000
       6315.58110000
       2059.35490000
        742.55919000
        288.60525000
        118.65832000
         50.37238700
         19.28110700
          9.01933200
          4.11772400
          1.30633600
          0.53009200
          0.08139900
          0.03171500
  0.000397558757 -0.000118821430
  0.001288796890 -0.000386052718
  0.004120759760 -0.001237725000
  0.012902020900 -0.003911399980
  0.039604446700 -0.012197623000
  0.110053359000 -0.035515462900
  0.249797798000 -0.088895842600
  0.389896627000 -0.176331759000
  0.299383417000 -0.195681749000
  0.055046569500  0.131879889000
 -0.006867624040  0.601587728000
  0.002903716370  0.401090868000
 -0.000944213602  0.029392025900
  0.000338789307 -0.003496254890
 -0.000089031552  0.000912954616
  0.000042354341 -0.000423096588
   11    1
 35.633431000000
       3401.43710000
        806.13331000
        261.10790000
         98.94156500
         41.31026400
         18.24833800
          8.35073900
          3.87949700
          1.70921900
          0.73240400
          0.29421700
  0.000574705817
  0.003801632880
  0.018990591900
  0.070820781600
  0.192346659000
  0.354404928000
  0.380763868000
  0.161800779000
  0.014482542900
  0.000589375617
  0.000005050613
Spectral Representation Operator
External primitive basis
    3
   16
       2866.39157000
        419.27891800
         92.74846200
          8.66336980
          3.45908896
          1.46306287
       5588.77832e-4
       7828.33798e-5
       3025.15326e-5
     654125.31000000
      97995.93300000
      22302.01200000
       6315.58110000
        742.55919000
         50.37238700
         19.28110700
   11
        190.31453200
         43.67077230
         12.85323600
          1.49173883
          0.49884322
          0.07300000
       3401.43710000
        806.13331000
         98.94156500
         18.24833800
          3.87949700
    7
         23.51654780
          6.33051398
          2.07036340
       6865.64691e-4
          0.20931527
          0.07200000
         89.71138900
    3
      13935.30726e-4
      49975.22235e-5
      21399.98227e-5
Exchange
NoPair
End of Spectral Representation Operator

/V.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.13el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
VANADIUM (9s,6p,6d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Mg] (9/51/6/3)
*V-NP-(d3s2)4F-(9/51/6/3)
********************************************************************************
    13.0   3
* s-type functions
    9    5
       3184.57628000
        464.09166200
        102.39099800
          9.63943460
          3.83208211
          1.67958206
       6339.37707e-4
       8512.39851e-5
       3237.45215e-5
  0.006384720000  0.001452990000  0.000000000000  0.000000000000  0.000000000000
  0.040057180000  0.009124920000  0.000000000000  0.000000000000  0.000000000000
  0.121468090000  0.027860740000  0.000000000000  0.000000000000  0.000000000000
 -0.483118140000 -0.118850940000  0.000000000000  0.000000000000  0.000000000000
 -0.340531020000 -0.086009390000  0.000000000000  0.000000000000  0.000000000000
  0.654135150000  0.193602520000  0.000000000000  0.000000000000  0.000000000000
  0.676399100000  0.351937470000  1.000000000000  0.000000000000  0.000000000000
  0.022051040000 -0.687012550000  0.000000000000  1.000000000000  0.000000000000
 -0.007993550000 -0.453921330000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    6    4
        213.39029200
         49.02008070
         14.50045240
          1.69970365
          0.56738328
          0.08000000
 -0.017733220000  0.000000000000  0.000000000000  0.000000000000
 -0.102943180000  0.000000000000  0.000000000000  0.000000000000
 -0.239177970000  0.000000000000  0.000000000000  0.000000000000
  0.615309960000  1.000000000000  0.000000000000  0.000000000000
  0.476841430000  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    6    4
         27.33309320
          7.42993054
          2.45086261
       8193.39806e-4
       2505.94182e-4
          0.08200000
  0.026602490000  0.000000000000  0.000000000000  0.000000000000
  0.139804850000  0.000000000000  0.000000000000  0.000000000000
  0.355455600000  0.000000000000  0.000000000000  0.000000000000
  0.487035400000  1.000000000000  0.000000000000  0.000000000000
  0.309266640000  0.000000000000  1.000000000000  0.000000000000
  0.032968440000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
      20066.84246e-4
      71964.32018e-5
      30815.97447e-5
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: V-NP-(d3s2)4F-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  3.8097600000e5  5.9884600000e4  1.4293600000e4  4.0378300000e3  1.2880900000e3  4.5208000000e2  1.5942700000e2 51.883800000000 21.690300000000  9.797280000000
  0.009770878692  0.011586017308  0.020873185538  0.036593731308  0.061590582308  0.087091908462  0.090859442308  0.170193730000  0.226906810000  0.053764483769
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  4.0571653000e2 48.308459000000
     713918.57000000
     106953.76000000
      24340.65000000
       6892.89690000
       2247.61200000
        810.45926000
        315.02764000
        129.55436000
         55.01670500
         20.97445500
          9.87185320
          4.53436210
          1.46565790
          0.59143144
        890.13135e-4
        341.13527e-4
  0.000419165077  0.000126358229
  0.001347797190  0.000407258467
  0.004261376570  0.001291211390
  0.013177528900  0.004031736170
  0.040062507700  0.012451927900
  0.110746369000  0.036097278800
  0.250633908000  0.090089730400
  0.389987708000  0.178508279000
  0.298213668000  0.196125359000
  0.054357699700 -0.141179269000
 -0.007255097750 -0.605313896000
  0.003014233880 -0.390521887000
 -0.000976932344 -0.028344050800
  0.000342682788  0.003036974780
 -0.000087414661 -0.000800264015
  0.000041352728  0.000368332588
   11    1
 40.119336000000
       3780.95510000
        896.05989000
        290.28218000
        110.05211000
         45.98722600
         20.34546400
          9.33146730
          4.34320920
          1.92294300
          0.82555806
          0.33173135
  0.000586012267
  0.003801792580
  0.018903983900
  0.070527354700
  0.192132699000
  0.355132608000
  0.380731678000
  0.160586479000
  0.014380026900
  0.000730306317
  0.000024136912
Spectral Representation Operator
External primitive basis
    3
   16
       3184.57628000
        464.09166200
        102.39099800
          9.63943460
          3.83208211
          1.67958206
       6339.37707e-4
       8512.39851e-5
       3237.45215e-5
     713918.56800000
     106953.75800000
      24340.65030000
       6892.89690000
        810.45926200
         55.01670500
         20.97445500
   11
        213.39029200
         49.02008070
         14.50045240
          1.69970365
          0.56738328
          0.08000000
       3780.95513000
        896.05988500
        110.05210900
         20.34546400
          4.34320900
    7
         27.33309320
          7.42993054
          2.45086261
       8193.39806e-4
       2505.94182e-4
          0.08200000
        104.13317200
    3
      20066.84246e-4
      71964.32018e-5
      30815.97447e-5
Exchange
NoPair
End of Spectral Representation Operator

/Cr.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.14el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
CHROMIUM (9s,6p,6d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ne] (9/51/6/3)
*CR-NP-(d5s1)7S-(9/51/6/3)
********************************************************************************
    14.0   3
* s-type functions
    9    5
       3464.10430000
        501.91404200
        111.07844200
         10.83730900
          4.78961997
          1.71068323
       6649.32232e-4
       8148.80306e-5
       3077.70823e-5
  0.006558532870  0.001385315331  0.000000000000  0.000000000000  0.000000000000
  0.040954992689  0.008660131673  0.000000000000  0.000000000000  0.000000000000
  0.122506007542  0.026088542559  0.000000000000  0.000000000000  0.000000000000
 -0.464338132466 -0.105974868019  0.000000000000  0.000000000000  0.000000000000
 -0.298199001290 -0.070298685113  0.000000000000  0.000000000000  0.000000000000
  0.643752840250  0.186420918315  0.000000000000  0.000000000000  0.000000000000
  0.628183323808  0.299920161989  1.000000000000  0.000000000000  0.000000000000
  0.021801297693 -0.681405173906  0.000000000000  1.000000000000  0.000000000000
 -0.008694175928 -0.443652824344  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    6    4
        237.90908800
         54.69149070
         16.22787010
          1.89299855
          0.61373096
          0.07700000
 -0.017511996315  0.000000000000  0.000000000000  0.000000000000
 -0.102411242803  0.000000000000  0.000000000000  0.000000000000
 -0.239393763921  0.000000000000  0.000000000000  0.000000000000
  0.618403065879  1.000000000000  0.000000000000  0.000000000000
  0.477401874153  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    6    4
         27.60722190
          7.45992701
          2.42432023
       7763.97808e-4
          0.21752465
          0.09120000
  0.030456619616  0.000000000000  0.000000000000  0.000000000000
  0.155563794257  0.000000000000  0.000000000000  0.000000000000
  0.367985479833  0.000000000000  0.000000000000  0.000000000000
  0.474585643873  1.000000000000  0.000000000000  0.000000000000
  0.314094804479  0.000000000000  1.000000000000  0.000000000000
  0.042841336208  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
      27313.20224e-4
       9795.14358e-4
      41943.96526e-5
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: CR-NP-(d5s1)7S-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  3.8944600000e5  6.2367900000e4  1.5093000000e4  4.3068900000e3  1.3843400000e3  4.8847600000e2  1.7281000000e2 56.674700000000 23.860200000000 10.817670000000
  0.009378636929  0.010950502714  0.019640465929  0.034303183286  0.057517398929  0.080939561429  0.084489394286  0.159100272857  0.209397807857  0.048568489786
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  4.4403740000e2 53.115900000000
     763522.64000000
     114385.92000000
      26032.11600000
       7371.90590000
       2403.82780000
        866.82102000
        336.98062000
        138.62727000
         58.86707800
         22.04390300
         10.44904200
          4.84368820
          1.59379760
          0.62492293
        884.70371e-4
        340.98566e-4
  0.000447052801 -0.000135834890
  0.001428150200 -0.000435074879
  0.004474893110 -0.001366783000
  0.013696192000 -0.004228220390
  0.041276501100 -0.012938628000
  0.113355610000 -0.037357616900
  0.254766051000 -0.092606436800
  0.391416361000 -0.182615720000
  0.292562371000 -0.193446210000
  0.050772474100  0.170177920000
 -0.007951750820  0.612171999000
  0.003200411010  0.360975089000
 -0.001010919500  0.024476207900
  0.000338554041 -0.002140180200
 -0.000085420973  0.000733706128
  0.000041484537 -0.000197618080
   11    1
 44.394180000000
       4069.81530000
        964.51641000
        312.45566000
        118.47285000
         49.51318900
         21.90749100
         10.04939400
          4.66231970
          2.06930800
          0.88095618
          0.34772978
  0.000622050715
  0.003974544270
  0.019652290800
  0.073060383400
  0.197999118000
  0.362040717000
  0.377053787000
  0.149382819000
  0.011950544900
  0.001021941490
  0.000059070711
Spectral Representation Operator
External primitive basis
    3
   16
       3464.10430000
        501.91404200
        111.07844200
         10.83730900
          4.78961997
          1.71068323
       6649.32232e-4
       8148.80306e-5
       3077.70823e-5
     763522.64000000
     114385.92000000
      26032.11600000
       7371.90590000
        866.82102000
         58.86707800
         22.04390300
   11
        237.90908800
         54.69149070
         16.22787010
          1.89299855
          0.61373096
          0.07700000
       4069.81530000
        964.51641000
        118.47285000
         21.90749100
          4.66231970
    7
         27.60722190
          7.45992701
          2.42432023
       7763.97808e-4
          0.21752465
          0.09120000
        101.65839000
    3
      27313.20224e-4
       9795.14358e-4
      41943.96526e-5
Exchange
NoPair
End of Spectral Representation Operator

/Mn.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.15el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
MANGANESE (9s,6p,6d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ne] (9/51/6/3)
*MN-NP-(d5s2)6S-(9/51/6/3)
********************************************************************************
    15.0   3
* s-type functions
    9    5
       3888.34098000
        560.74790700
        122.96968000
         11.57831240
          4.30234430
          2.13591980
          0.77690059
       9907.04871e-5
       3667.18071e-5
  0.006607357260  0.001223369160  0.000000000000  0.000000000000  0.000000000000
  0.041263256479  0.007649961242  0.000000000000  0.000000000000  0.000000000000
  0.126146631789  0.023571432580  0.000000000000  0.000000000000  0.000000000000
 -0.517925915723 -0.105051595585  0.000000000000  0.000000000000  0.000000000000
 -0.370014015211 -0.077659298568  0.000000000000  0.000000000000  0.000000000000
  0.715743091418  0.176968093443  0.000000000000  0.000000000000  0.000000000000
  0.683708061905  0.311424074793  1.000000000000  0.000000000000  0.000000000000
  0.000206131193 -0.670274549839  0.000000000000  1.000000000000  0.000000000000
 -0.021890526696 -0.463600241232  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    6    4
        262.88552800
         60.45360130
         17.99949800
          2.13405706
       7083.93156e-4
          0.09200000
 -0.017769466063  0.000000000000  0.000000000000  0.000000000000
 -0.104324584272  0.000000000000  0.000000000000  0.000000000000
 -0.244758360810  0.000000000000  0.000000000000  0.000000000000
  0.620708012496  1.000000000000  0.000000000000  0.000000000000
  0.472145396129  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    6    4
         35.35664760
          9.73675350
          3.24712882
          1.09451716
       3345.12045e-4
          0.10540000
  0.027109106823  0.000000000000  0.000000000000  0.000000000000
  0.144207173564  0.000000000000  0.000000000000  0.000000000000
  0.362823127186  0.000000000000  0.000000000000  0.000000000000
  0.483736119826  1.000000000000  0.000000000000  0.000000000000
  0.300248795451  0.000000000000  1.000000000000  0.000000000000
  0.031820812907  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
          3.56743866
      12793.65692e-4
      54783.95462e-5
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: MN-NP-(d5s2)6S-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  3.9879300000e5  6.5132400000e4  1.5986700000e4  4.6080000000e3  1.4925700000e3  5.2958300000e2  1.8813800000e2 62.034400000000 26.232800000000 11.928950000000
  0.009018918000  0.010359885333  0.018503964467  0.032190187200  0.053772254400  0.075444576667  0.078877262000  0.148805570667  0.194927576000  0.044766472600
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  4.8494168000e2 59.048759000000
     838614.74000000
     125635.08000000
      28592.19100000
       8096.87950000
       2640.22290000
        952.07110000
        370.14299000
        152.29321000
         64.71388200
         24.44221700
         11.61120800
          5.38545970
          1.79619990
          0.71706245
          0.10334880
        384.90735e-4
  0.000465158072  0.000142367100
  0.001473911100  0.000452296530
  0.004566142420  0.001405181400
  0.013797309000  0.004291243400
  0.041156466100  0.013002415000
  0.112508140000  0.037345730000
  0.252864941000  0.092563187000
  0.390320021000  0.182804830000
  0.295026841000  0.195919660000
  0.052481133200 -0.163096020000
 -0.007928650630 -0.612319930000
  0.003209651810 -0.366975860000
 -0.001033663300 -0.025767489000
  0.000348329161  0.002197266200
 -0.000084090850 -0.000603266780
  0.000039497466  0.000274845720
   11    1
 49.761932000000
       4590.51900000
       1087.88240000
        352.51409000
        133.75729000
         55.97042300
         24.82608100
         11.42832700
          5.33301310
          2.37704300
          1.02242830
          0.41080326
  0.000613769784
  0.003832743460
  0.018854892800
  0.070294208300
  0.192275388000
  0.356785606000
  0.380212996000
  0.157952338000
  0.014133131900
  0.000962610650
  0.000056240587
Spectral Representation Operator
External primitive basis
    3
   16
       3888.34098000
        560.74790700
        122.96968000
         11.57831240
          4.30234430
          2.13591980
          0.77690059
       9907.04871e-5
       3667.18071e-5
     838614.74000000
     125635.08000000
      28592.19100000
       8096.87950000
        952.07110000
         64.71388200
         24.44221700
   11
        262.88552800
         60.45360130
         17.99949800
          2.13405706
       7083.93156e-4
          0.09200000
       4590.51900000
       1087.88240000
        133.75729000
         24.82608100
          5.33301310
    7
         35.35664760
          9.73675350
          3.24712882
          1.09451716
       3345.12045e-4
          0.10540000
        133.76343700
    3
          3.56743866
      12793.65692e-4
      54783.95462e-5
Exchange
NoPair
End of Spectral Representation Operator


/Fe.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.16el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
IRON (9s,6p,6d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ne] (9/51/6/3)
*FE-NP-(d6s2)5D-(9/51/6/3)
********************************************************************************
    16.0   3
* s-type functions
    9    5
       4236.42440000
        610.71334400
        133.94926300
         12.60524000
          4.48471479
          2.36196333
       8526.56165e-4
          0.10809161
       3940.64313e-5
  0.006710609691  0.001439850137  0.000000000000  0.000000000000  0.000000000000
  0.041523073280  0.008920559475  0.000000000000  0.000000000000  0.000000000000
  0.127047644109  0.027476197607  0.000000000000  0.000000000000  0.000000000000
 -0.531009773641 -0.123358735506  0.000000000000  0.000000000000  0.000000000000
 -0.383790324064 -0.092842583833  0.000000000000  0.000000000000  0.000000000000
  0.749369423754  0.208641798251  0.000000000000  0.000000000000  0.000000000000
  0.664281916249  0.323088878624  1.000000000000  0.000000000000  0.000000000000
  0.020862422369 -0.661173108788  0.000000000000  1.000000000000  0.000000000000
 -0.007574389216 -0.471653895650  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    6    4
        289.29932500
         66.57379870
         19.89051980
          2.37378808
       7871.15308e-4
          0.09800000
 -0.017848488164  0.000000000000  0.000000000000  0.000000000000
 -0.105062441437  0.000000000000  0.000000000000  0.000000000000
 -0.247455274890  0.000000000000  0.000000000000  0.000000000000
  0.622707156780  1.000000000000  0.000000000000  0.000000000000
  0.470315082218  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    6    4
         38.91054330
         10.75457590
          3.59224013
          1.20398778
          0.36189186
          0.11330000
  0.028022157082  0.000000000000  0.000000000000  0.000000000000
  0.148933180577  0.000000000000  0.000000000000  0.000000000000
  0.367681580213  0.000000000000  0.000000000000  0.000000000000
  0.479797518814  1.000000000000  0.000000000000  0.000000000000
  0.298977312657  0.000000000000  1.000000000000  0.000000000000
  0.033904966222  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
      45150.39554e-4
      16191.97204e-4
      69335.94257e-5
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: FE-NP-(d6s2)5D-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  4.0756700000e5  6.7772700000e4  1.6848200000e4  4.9007650000e3  1.5989700000e3  5.7036800000e2  2.0336300000e2 67.464000000000 28.670600000000 13.074230000000
  0.008707923563  0.009854050812  0.017540017000  0.030396845125  0.050576731562  0.070678396875  0.073970733125  0.140023236875  0.181999935625  0.041252129312
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  5.2732733000e2 64.868023000000
     906706.97000000
     135836.13000000
      30913.75500000
       8754.31480000
       2854.60620000
       1029.39650000
        400.23829000
        164.71075000
         70.01751600
         26.39349400
         12.57502700
          5.85031060
          1.97628520
          0.78703843
          0.11246274
        412.43849e-4
  0.000488187207  0.000150436728
  0.001536266690  0.000474705215
  0.004713605670  0.001460751180
  0.014085147900  0.004413090150
  0.041615356700  0.013245007900
  0.113122469000  0.037853333600
  0.253468328000  0.093528526000
  0.390224607000  0.184460688000
  0.294077208000  0.196006148000
  0.051999390700 -0.170926558000
 -0.008131538350 -0.614823203000
  0.003271852480 -0.358625916000
 -0.001054450590 -0.024857668700
  0.000350759578  0.001910103680
 -0.000082853577 -0.000539809424
  0.000038601382  0.000243286827
   11    1
 55.004999000000
       5020.97050000
       1189.87480000
        385.60324000
        146.36388000
         61.28163400
         27.21176100
         12.54573800
          5.86037440
          2.61941880
          1.12812370
          0.45272171
  0.000629862129
  0.003859670990
  0.018875541000
  0.070300335900
  0.192533030000
  0.357653299000
  0.379822829000
  0.156589580000
  0.013961798000
  0.001049301000
  0.000074894799
Spectral Representation Operator
External primitive basis
    3
   16
       4236.42440000
        610.71334400
        133.94926300
         12.60524000
          4.48471479
          2.36196333
       8526.56165e-4
          0.10809161
       3940.64313e-5
     906706.97000000
     135836.13000000
      30913.75500000
       8754.31480000
       1029.39650000
         70.01751600
         26.39349400
   11
        289.29932500
         66.57379870
         19.89051980
          2.37378808
       7871.15308e-4
          0.09800000
       5020.97050000
       1189.87480000
        146.36388000
         27.21176100
          5.86037440
    7
         38.91054330
         10.75457590
          3.59224013
          1.20398778
          0.36189186
          0.11330000
        145.81692200
    3
      45150.39554e-4
      16191.97204e-4
      69335.94257e-5
Exchange
NoPair
End of Spectral Representation Operator


/Co.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.17el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
COBALT (9s,6p,6d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ne] (9/51/6/3)
*CO-NP-(d7s2)4F-(9/51/6/3)
********************************************************************************
    17.0   3
* s-type functions
    9    5
       4662.38776000
        668.16533800
        146.00566300
         13.66420240
          4.79388342
          2.50966282
       9160.44132e-4
       1177.45223e-4
        423.03522e-4
  0.006766738948  0.001430320070  0.000000000000  0.000000000000  0.000000000000
  0.041743737072  0.008835765838  0.000000000000  0.000000000000  0.000000000000
  0.128581524825  0.027393077015  0.000000000000  0.000000000000  0.000000000000
 -0.545225800049 -0.124802825597  0.000000000000  0.000000000000  0.000000000000
 -0.361568646851 -0.086652029974  0.000000000000  0.000000000000  0.000000000000
  0.766754049412  0.213389456292  0.000000000000  0.000000000000  0.000000000000
  0.637790814602  0.308892121383  1.000000000000  0.000000000000  0.000000000000
  0.019267540835 -0.647014583479  0.000000000000  1.000000000000  0.000000000000
 -0.006840709665 -0.485586705960  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    6    4
        317.50521300
         73.08149340
         21.88772620
          2.62329644
       8683.40919e-4
          0.10500000
 -0.017868725291  0.000000000000  0.000000000000  0.000000000000
 -0.105525330991  0.000000000000  0.000000000000  0.000000000000
 -0.249733157760  0.000000000000  0.000000000000  0.000000000000
  0.624229938718  1.000000000000  0.000000000000  0.000000000000
  0.468992278385  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    6    4
         43.11518320
         11.95000490
          3.99623043
          1.33529884
       3972.47355e-4
          0.12190000
  0.028360415343  0.000000000000  0.000000000000  0.000000000000
  0.151458232776  0.000000000000  0.000000000000  0.000000000000
  0.370737281926  0.000000000000  0.000000000000  0.000000000000
  0.477541252400  1.000000000000  0.000000000000  0.000000000000
  0.298235507889  0.000000000000  1.000000000000  0.000000000000
  0.035275010760  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
      55741.22906e-4
      19990.08894e-4
      85599.92909e-5
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: CO-NP-(d7s2)4F-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  4.1607400000e5  7.0387800000e4  1.7709700000e4  5.1939300000e3  1.7061300000e3  6.1170200000e2  2.1881800000e2 73.036800000000 31.190700000000 14.259900000000
  0.008432650412  0.009405588529  0.016696041118  0.028834336824  0.047782483471  0.066481415882  0.069639118824  0.132349582353  0.170500415294  0.038113661529
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  5.7151563000e2 70.928414000000
     976441.49000000
     146283.40000000
      33291.37700000
       9427.62970000
       3074.17060000
       1108.59370000
        431.06577000
        177.43445000
         75.45392500
         28.37069100
         13.54927600
          6.32005200
          2.15965700
          0.85749700
          0.12099800
          0.04376500
  0.000512217012 -0.000158850369
  0.001601495010 -0.000498079738
  0.004869180320 -0.001518889890
  0.014396264100 -0.004541950880
  0.042135611100 -0.013504338900
  0.113868180000 -0.038397888800
  0.254268541000 -0.094543022600
  0.390182991000 -0.186139499000
  0.292836901000 -0.195760519000
  0.051345765200  0.179837149000
 -0.008315413130  0.617217887000
  0.003327932010  0.349443558000
 -0.001072586300  0.023800864900
  0.000352140991 -0.001625749890
 -0.000081401084  0.000477625258
  0.000037703462 -0.000213397089
   11    1
 60.469725000000
       5468.58430000
       1295.93270000
        420.01172000
        159.47474000
         66.80670300
         29.69482200
         13.70911400
          6.40892100
          2.87080200
          1.23727500
          0.49602500
  0.000647216916
  0.003892830870
  0.018919463900
  0.070367737500
  0.192878209000
  0.358519788000
  0.379355458000
  0.155243189000
  0.013798609900
  0.001128044490
  0.000090489471
Spectral Representation Operator
External primitive basis
    3
   16
       4662.38776000
        668.16533800
        146.00566300
         13.66420240
          4.79388342
          2.50966282
       9160.44132e-4
       1177.45223e-4
        423.03522e-4
     976441.49000000
     146283.40000000
      33291.37700000
       9427.62970000
       1108.59370000
         75.45392500
         28.37069100
   11
        317.50521300
         73.08149340
         21.88772620
          2.62329644
       8683.40919e-4
          0.10500000
       5468.58430000
       1295.93270000
        159.47474000
         29.69482200
          6.40892100
    7
         43.11518320
         11.95000490
          3.99623043
          1.33529884
       3972.47355e-4
          0.12190000
        159.62855500
    3
      55741.22906e-4
      19990.08894e-4
      85599.92909e-5
Exchange
NoPair
End of Spectral Representation Operator

/Ni.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.18el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
NICKEL (9s,6p,6d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Mg] (9/51/6/3)
*NI-NP-(d8s2)3F-(9/51/6/3)
********************************************************************************
    18.0   3
* s-type functions
    9    5
       5089.64646000
        725.75110200
        158.29039500
         14.85257060
          5.35630309
          2.68841156
       9964.02768e-4
       1263.51512e-4
       4482.61888e-5
  0.006825090000  0.001563130000  0.000000000000  0.000000000000  0.000000000000
  0.041886470000  0.009605780000  0.000000000000  0.000000000000  0.000000000000
  0.129320470000  0.029831850000  0.000000000000  0.000000000000  0.000000000000
 -0.547246590000 -0.134916860000  0.000000000000  0.000000000000  0.000000000000
 -0.329364640000 -0.084412610000  0.000000000000  0.000000000000  0.000000000000
  0.742392990000  0.221190210000  0.000000000000  0.000000000000  0.000000000000
  0.623954350000  0.312499150000  1.000000000000  0.000000000000  0.000000000000
  0.032069990000 -0.639640300000  0.000000000000  1.000000000000  0.000000000000
  0.002821880000 -0.490686530000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    6    4
        346.84203800
         79.85038550
         23.97131840
          2.88500165
       9532.55566e-4
          0.11100000
 -0.017905520000  0.000000000000  0.000000000000  0.000000000000
 -0.105976290000  0.000000000000  0.000000000000  0.000000000000
 -0.251668590000  0.000000000000  0.000000000000  0.000000000000
  0.625278130000  1.000000000000  0.000000000000  0.000000000000
  0.468174660000  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    6    4
         47.29872870
         13.15250580
          4.40653743
          1.46981906
       4338.97325e-4
          0.13160000
  0.028868510000  0.000000000000  0.000000000000  0.000000000000
  0.154272500000  0.000000000000  0.000000000000  0.000000000000
  0.373739550000  0.000000000000  0.000000000000  0.000000000000
  0.475283970000  1.000000000000  0.000000000000  0.000000000000
  0.296551340000  0.000000000000  1.000000000000  0.000000000000
  0.036237460000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
      67446.88716e-4
      24188.00762e-4
      10357.59142e-4
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: NI-NP-(d8s2)3F-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  4.1810700000e5  7.1736400000e4  1.8293700000e4  5.4216600000e3  1.7952200000e3  6.4784800000e2  2.3252500000e2 78.319700000000 33.679100000000 15.451230000000
  0.008253925889  0.009088406944  0.016024321111  0.027603891333  0.045472860722  0.062781511111  0.065759431111  0.125964145000  0.159637752222  0.034969309722
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  6.1752142000e2 77.240217000000
    1048516.60000000
     157081.28000000
      35748.78600000
      10123.53900000
       3301.10350000
       1190.45020000
        462.93093000
        190.58943000
         81.07763100
         30.41230500
         14.55088500
          6.80134800
          2.34832200
          0.92972800
          0.12949200
          0.04623100
  0.000536961748 -0.000167525341
  0.001668573090 -0.000522119982
  0.005029235980 -0.001578544010
  0.014718217900 -0.004674066220
  0.042678238800 -0.013768782000
  0.114645520000 -0.038945048100
  0.255092139000 -0.095539054300
  0.390122979000 -0.187743431000
  0.291540719000 -0.195347521000
  0.050674493800  0.188778391000
 -0.008465005670  0.619329952000
  0.003373908490  0.340441521000
 -0.001087706300  0.022743550100
  0.000352792829 -0.001364546800
 -0.000079894288  0.000421431541
  0.000036813465 -0.000186745201
   11    1
 66.164738000000
       5933.62550000
       1406.11900000
        455.75999000
        173.09765000
         72.54892100
         32.27677000
         14.91925500
          6.97923400
          3.13179100
          1.35040100
          0.54082600
  0.000665707974
  0.003931224720
  0.018982009100
  0.070481735400
  0.193283611000
  0.359368082000
  0.378831142000
  0.153932831000
  0.013645401100
  0.001199166210
  0.000104006761
Spectral Representation Operator
External primitive basis
    3
   16
       5089.64646000
        725.75110200
        158.29039500
         14.85257060
          5.35630309
          2.68841156
       9964.02768e-4
       1263.51512e-4
       4482.61888e-5
    1048516.58000000
     157081.27700000
      35748.78600000
      10123.53880000
       1190.45023000
         81.07763100
         30.41230500
   11
        346.84203800
         79.85038550
         23.97131840
          2.88500165
       9532.55566e-4
          0.11100000
       5933.62549000
       1406.11899000
        173.09765400
         32.27677000
          6.97923400
    7
         47.29872870
         13.15250580
          4.40653743
          1.46981906
       4338.97325e-4
          0.13160000
        174.16515800
    3
          6.74468900
          2.41880070
          1.03575920
Exchange
NoPair
End of Spectral Representation Operator

/Cu.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.19el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
COPPER (9s,6p,6d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ne] (9/51/6/3)
*CU-NP-(d10s1)2S-(9/51/6/3)
********************************************************************************
    19.0   3
* s-type functions
    9    5
       5598.91811000
        793.28464400
        171.85637600
         16.07561560
          6.07091922
          2.80024364
          1.06758732
       1351.74153e-4
        473.12243e-4
  0.006831131382  0.001211878407  0.000000000000  0.000000000000  0.000000000000
  0.041843408871  0.007428417888  0.000000000000  0.000000000000  0.000000000000
  0.130569092544  0.023355107025  0.000000000000  0.000000000000  0.000000000000
 -0.551534491301 -0.106548498374  0.000000000000  0.000000000000  0.000000000000
 -0.277667098727 -0.048844581139  0.000000000000  0.000000000000  0.000000000000
  0.707034827960  0.152696881714  0.000000000000  0.000000000000  0.000000000000
  0.617475087992  0.259711194491  1.000000000000  0.000000000000  0.000000000000
  0.024876242148 -0.386676158271  0.000000000000  1.000000000000  0.000000000000
 -0.008819718836 -0.718111392220  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    6    4
        378.12173300
         87.02380010
         26.16746250
          3.15565305
          1.04067815
          0.11700000
 -0.017774701316  0.000000000000  0.000000000000  0.000000000000
 -0.105537632747  0.000000000000  0.000000000000  0.000000000000
 -0.251439934546  0.000000000000  0.000000000000  0.000000000000
  0.616869262087  1.000000000000  0.000000000000  0.000000000000
  0.476992428296  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    6    4
         51.71110310
         14.42072630
          4.83967214
          1.61235383
       4728.07013e-4
          0.14910000
  0.027940052851  0.000000000000  0.000000000000  0.000000000000
  0.149399427325  0.000000000000  0.000000000000  0.000000000000
  0.358409224544  0.000000000000  0.000000000000  0.000000000000
  0.456123952812  1.000000000000  0.000000000000  0.000000000000
  0.323405376465  0.000000000000  1.000000000000  0.000000000000
  0.083392940099  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
      80267.36984e-4
      28785.72807e-4
      12326.38979e-4
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: CU-NP-(d10s1)2S-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  4.2769300000e5  7.4760300000e4  1.9305800000e4  5.7641100000e3  1.9179100000e3  6.9401400000e2  2.4979000000e2 84.557500000000 36.480700000000 16.753130000000
  0.008011103105  0.008682253474  0.015276311053  0.026257284211  0.043180338947  0.059468622105  0.062275402632  0.119504946316  0.150874160000  0.032785368158
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  6.6489942000e2 83.304687000000
    1088937.30000000
     163139.06000000
      37127.57300000
      10514.03700000
       3428.51170000
       1236.49130000
        480.95139000
        198.13309000
         84.32648700
         30.83465000
         14.69373000
          6.88524980
          2.44265880
          0.94322568
          0.10796813
        390.38832e-4
  0.000575832806 -0.000180673090
  0.001782081190 -0.000560992450
  0.005340411560 -0.001685814300
  0.015519805900 -0.004963933800
  0.044672010700 -0.014503589000
  0.119052149000 -0.040863542000
  0.261999978000 -0.099161552100
  0.392008207000 -0.193073900000
  0.281577578000 -0.188113590000
  0.045010523700  0.238855300000
 -0.008780968640  0.626184360000
  0.003499270170  0.291617430000
 -0.001125357090  0.016734216000
  0.000339334098 -0.000340249670
 -0.000069623880  0.000213453510
  0.000034030421 -0.000100878370
   11    1
 71.598811000000
       6272.26300000
       1486.37570000
        481.75797000
        182.97636000
         76.69030100
         34.11547600
         15.76217100
          7.34583240
          3.29615880
          1.41111340
          0.55582444
  0.000706912251
  0.004116311610
  0.019746723000
  0.072981280100
  0.198896680000
  0.365480270000
  0.374935300000
  0.144238270000
  0.011584022000
  0.001365510800
  0.000133055670
Spectral Representation Operator
External primitive basis
    3
   16
       5598.91811000
        793.28464400
        171.85637600
         16.07561560
          6.07091922
          2.80024364
          1.06758732
       1351.74153e-4
        473.12243e-4
    1088937.30000000
     163139.06000000
      37127.57300000
      10514.03700000
       1236.49130000
         84.32648700
         30.83465000
   11
        378.12173300
         87.02380010
         26.16746250
          3.15565305
          1.04067815
          0.11700000
       6272.26300000
       1486.37570000
        182.97636000
         34.11547600
          7.34583240
    7
         51.71110310
         14.42072630
          4.83967214
          1.61235383
       4728.07013e-4
          0.14910000
        169.31748600
    3
      80267.36984e-4
      28785.72807e-4
      12326.38979e-4
Exchange
NoPair
End of Spectral Representation Operator

/Zn.NP-AIMP.Rakowitz.9s6p6d3f.5s4p4d1f.ECP.20el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
ZINC (9s,6p,6d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ne] (9/51/6/3)
*ZN-NP-(d10s2)1S-(9/51/6/3)
********************************************************************************
    20.0   3
* s-type functions
    9    5
       6050.71748000
        857.21248200
        185.30817300
         17.28532200
          6.11606493
          3.11298368
          1.16011639
          0.14278049
       4940.96517e-5
  0.006968481691  0.001406432777  0.000000000000  0.000000000000  0.000000000000
  0.042292684981  0.008549257143  0.000000000000  0.000000000000  0.000000000000
  0.132269844528  0.026902837795  0.000000000000  0.000000000000  0.000000000000
 -0.566621158100 -0.123912861926  0.000000000000  0.000000000000  0.000000000000
 -0.313490812806 -0.071799979450  0.000000000000  0.000000000000  0.000000000000
  0.760368578796  0.205644941166  0.000000000000  0.000000000000  0.000000000000
  0.613344113150  0.282642925860  1.000000000000  0.000000000000  0.000000000000
  0.019056502214 -0.632406349380  0.000000000000  1.000000000000  0.000000000000
 -0.006847073187 -0.494972443070  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    6    4
        410.49441700
         94.47335590
         28.45851260
          3.43942986
          1.13180243
          0.12300000
 -0.017919359609  0.000000000000  0.000000000000  0.000000000000
 -0.106485479804  0.000000000000  0.000000000000  0.000000000000
 -0.254874915876  0.000000000000  0.000000000000  0.000000000000
  0.627349986390  1.000000000000  0.000000000000  0.000000000000
  0.466494972684  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    6    4
         56.35081000
         15.75820370
          5.29778926
          1.76437521
       5152.59102e-4
          0.15630000
  0.029626547647  0.000000000000  0.000000000000  0.000000000000
  0.158588529788  0.000000000000  0.000000000000  0.000000000000
  0.378242722051  0.000000000000  0.000000000000  0.000000000000
  0.471911617944  1.000000000000  0.000000000000  0.000000000000
  0.293209647152  0.000000000000  1.000000000000  0.000000000000
  0.037448975440  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
      94202.67711e-4
      33783.25031e-4
      14466.38802e-4
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: ZN-NP-(d10s2)1S-[NE]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 10
  4.3649500000e5  7.7562900000e4  2.0214900000e4  6.0641300000e3  2.0287700000e3  7.3773700000e2  2.6610300000e2 90.511000000000 39.225800000000 18.061780000000
  0.007798679050  0.008338640800  0.014685366350  0.025174426150  0.041182581800  0.056440140500  0.059245510000  0.114239309500  0.142410600500  0.030484745050
M2
  0
COREREP
 1.0
PROJOP
    1
   16    2
  7.1503779000e2 90.648886000000
    1199478.90000000
     179697.65000000
      40895.87800000
      11581.13500000
       3776.42260000
       1361.90750000
        529.68448000
        218.15748000
         92.87265400
         34.68115100
         16.63109200
          7.79516400
          2.74039700
          1.07889200
          0.14607200
          0.05092600
  0.000588746167 -0.000185722979
  0.001808634790 -0.000572366697
  0.005363406170 -0.001702791490
  0.015395473900 -0.004949054170
  0.043832869800 -0.014316067900
  0.116301549000 -0.040056579800
  0.256818779000 -0.097496726500
  0.389947558000 -0.190767309000
  0.288769709000 -0.194039079000
  0.049278175700  0.206810099000
 -0.008675074750  0.622794816000
  0.003438771880  0.322841538000
 -0.001110063490  0.020615346900
  0.000352024388 -0.000897296995
 -0.000076625188  0.000323042498
  0.000035012370 -0.000140959879
   11    1
 78.269749000000
       6916.44680000
       1638.98520000
        531.31141000
        201.89326000
         84.69062000
         37.74000000
         17.48101200
          8.18572800
          3.68276000
          1.58856200
          0.63498700
  0.000705821935
  0.004021384030
  0.019152174100
  0.070816433500
  0.194216481000
  0.360987182000
  0.377673003000
  0.151436781000
  0.013358293100
  0.001319107810
  0.000126880791
Spectral Representation Operator
External primitive basis
    3
   16
       6050.71748000
        857.21248200
        185.30817300
         17.28532200
          6.11606493
          3.11298368
          1.16011639
          0.14278049
       4940.96517e-5
    1199478.90000000
     179697.65000000
      40895.87800000
      11581.13500000
       1361.90750000
         92.87265400
         34.68115100
   11
        410.49441700
         94.47335590
         28.45851260
          3.43942986
          1.13180243
          0.12300000
       6916.44680000
       1638.98520000
        201.89326000
         37.74000000
          8.18572800
    7
         56.35081000
         15.75820370
          5.29778926
          1.76437521
       5152.59102e-4
          0.15630000
        205.67236100
    3
      94202.67711e-4
      33783.25031e-4
      14466.38802e-4
Exchange
NoPair
End of Spectral Representation Operator

********************************************************************************
*         C.3.2.2. Second Series Transition Metal Elements (core [Ar,3d])
********************************************************************************
*  - 2nd order Douglas-Kroll-Hess
*  - p polarization functions:
*    S. Huzinaga (Editor), J. Andzelm, M. Klobukowski, E. Radzio-Andzelm, Y. Sakai, H. Tatewaki.
*    "Gaussian Basis Sets for Molecular Calculations" (Elsevier, Amsterdam, 1984).
*  - f polarization functions:
*       - Slater exponents:
*         S.P. Walch, Ch.W. Bauschlicher, Jr., C.J. Nelin. J. Chem. Phys. 79 (1983) 3600-3602. doi:10.1063/1.446183
*       - 3-GTO expansion:
*         R.F. Stewart. J. Chem. Phys. 52 (1970) 431-438. doi:10.1063/1.1672702
********************************************************************************

/Y.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.11el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
YTTRIUM (11s,8p,7d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ar,3d] (A1/71/7/3)
*Y-NP-(d1s2)2D-(A1/71/7/3)
********************************************************************************
    11.0   3
* s-type functions
   11    5
      11780.26620000
       1581.69839000
        332.97441300
         32.46506950
         14.58111210
          5.54182585
          2.71820263
       9071.97762e-4
       3971.47199e-4
       6287.18866e-5
          0.02545032
 -0.002980517699 -0.000860950591  0.000000000000  0.000000000000  0.000000000000
 -0.017207789632 -0.004973191765  0.000000000000  0.000000000000  0.000000000000
 -0.054554778454 -0.015780533610  0.000000000000  0.000000000000  0.000000000000
  0.239632484566  0.070223779223  0.000000000000  0.000000000000  0.000000000000
  0.111261269410  0.033201025812  0.000000000000  0.000000000000  0.000000000000
 -0.424284982005 -0.132298410399  0.000000000000  0.000000000000  0.000000000000
 -0.553673119977 -0.184096454796  0.000000000000  0.000000000000  0.000000000000
  0.585555780341  0.242771954191  0.000000000000  0.000000000000  0.000000000000
  0.727270965599  0.456922179131  1.000000000000  0.000000000000  0.000000000000
  0.039406429245 -0.782894961763  0.000000000000  1.000000000000  0.000000000000
 -0.006100130483 -0.395117638745  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    8    4
        770.31806200
        176.68004600
         54.05224290
          8.30517594
          4.34961391
       8203.00219e-4
          0.29882080
          0.05600000
  0.006625761038  0.000000000000  0.000000000000  0.000000000000
  0.039522426997  0.000000000000  0.000000000000  0.000000000000
  0.097129707121  0.000000000000  0.000000000000  0.000000000000
 -0.193071793196  0.000000000000  0.000000000000  0.000000000000
 -0.233420932588  0.000000000000  0.000000000000  0.000000000000
  0.665111040106  1.000000000000  0.000000000000  0.000000000000
  0.451474330031  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    7    4
         79.67964610
         22.28106600
          7.26689490
       8546.45719e-4
       2869.65621e-4
       8877.81189e-5
          0.03160000
 -0.012882375485  0.000000000000  0.000000000000  0.000000000000
 -0.061089913159  0.000000000000  0.000000000000  0.000000000000
 -0.106880911741  0.000000000000  0.000000000000  0.000000000000
  0.287412237769  0.000000000000  0.000000000000  0.000000000000
  0.508398301252  1.000000000000  0.000000000000  0.000000000000
  0.407513832128  0.000000000000  1.000000000000  0.000000000000
  0.050064170176  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
      64436.86079e-5
      23108.54281e-5
      98953.51803e-6
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: Y-NP-(d1s2)2D-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.3714700000e5  1.1240600000e5  3.3192300000e4  1.0945300000e4  3.9291000000e3  1.5098800000e3  5.9512900000e2  2.2577900000e2 98.259000000000 43.739700000000 14.694300000000
  7.176250000000  3.270880000000
  0.021988664636  0.020249713455  0.033942238818  0.055584269364  0.087966784455  0.124410659091  0.145530209091  0.224270210909  0.390872927273  0.224080080000  0.578598791818
  0.556716339091  0.081243657000
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  1.2589869000e3  1.7769830000e2 30.616990000000
    7941148.20000000
    1189204.80000000
     270633.04000000
      76653.79400000
      25006.02700000
       9026.65170000
       3520.11920000
       1459.51320000
        636.06241000
        288.74954000
        134.31388000
         56.19637300
         27.68537600
         13.56121200
          5.73388690
          2.67430100
          0.80344503
          0.35652595
        641.51336e-4
        261.51012e-4
  0.000311855180 -0.000102433330  0.000042343708
  0.000879953040 -0.000289577650  0.000119750469
  0.002294101900 -0.000756641950  0.000312883699
  0.005593552900 -0.001856700300  0.000769020096
  0.013398557000 -0.004477654100  0.001853520690
  0.032083296000 -0.010944945000  0.004554634580
  0.075416532000 -0.026431880000  0.010997827900
  0.163566010000 -0.061766266000  0.026104608900
  0.291809820000 -0.124910540000  0.053339998800
  0.350990610000 -0.199954860000  0.090104831600
  0.205961930000 -0.135391020000  0.062466319700
  0.029364805000  0.294669770000 -0.173844009000
 -0.003844339100  0.595786250000 -0.523070468000
  0.001733176400  0.271794020000 -0.209348159000
 -0.000784220060  0.019226324000  0.714904207000
  0.000311325790 -0.000173632730  0.571858427000
 -0.000108544170  0.000028641860  0.035506801800
  0.000052684680 -0.000067540834 -0.006735157570
 -0.000013846383  0.000009047433  0.001537932290
  0.000006421994 -0.000004251982 -0.000691023577
   14    2
  1.5782606000e2 23.961755000000
      19048.50800000
       4511.79510000
       1464.68810000
        559.08645000
        236.30173000
        107.00728000
         50.67675600
         24.68880500
         11.85371500
          5.68609580
          2.72629300
          1.14338410
          0.50062283
          0.20248548
  0.000544679340 -0.000231122400
  0.002437562300 -0.001037127400
  0.010485605000 -0.004500760800
  0.038549226000 -0.016772495000
  0.115308090000 -0.051910810000
  0.258029260000 -0.121572710000
  0.383246340000 -0.193144630000
  0.296811720000 -0.109383630000
  0.081773836000  0.250431750000
  0.003252466800  0.536492470000
  0.001293622900  0.327415660000
 -0.000377737230  0.039214017000
  0.000161654290 -0.002102969500
 -0.000047030998  0.000582213380
   11    1
 12.968845000000
        716.58030000
        215.63655000
         83.44281100
         36.16740500
         16.73513200
          7.91633830
          3.75041720
          1.72067980
          0.65997856
          0.24025127
        801.22534e-4
  0.000946434097
  0.007711432870
  0.037285906900
  0.120306910000
  0.261245879000
  0.371283779000
  0.326621979000
  0.133162040000
  0.012781112000
 -0.000647115858
  0.000243066169
Spectral Representation Operator
External primitive basis
    3
   20
      11780.26620000
       1581.69839000
        332.97441300
         32.46506950
         14.58111210
          5.54182585
          2.71820263
       9071.97762e-4
       3971.47199e-4
       6287.18866e-5
          0.02545032
    7941148.20000000
    1189204.80000000
     270633.04000000
      76653.79400000
      25006.02700000
       3520.11920000
        636.06241000
        134.31388000
         56.19637300
   14
        770.31806200
        176.68004600
         54.05224290
          8.30517594
          4.34961391
       8203.00219e-4
          0.29882080
          0.05600000
      19048.50800000
       4511.79510000
       1464.68810000
        107.00728000
         24.68880500
          2.72629300
   10
         79.67964610
         22.28106600
          7.26689490
       8546.45719e-4
       2869.65621e-4
       8877.81189e-5
          0.03160000
        716.58030000
        215.63655000
          3.75041720
    3
      64436.86079e-5
      23108.54281e-5
      98953.51803e-6
Exchange
NoPair
End of Spectral Representation Operator

/Zr.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.12el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
ZIRCONIUM (11s,8p,7d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ar,3d] (A1/71/7/3)
*ZR-NP-(d2s2)3F-(A1/71/7/3)
********************************************************************************
    12.0   3
* s-type functions
   11    5
      12534.54140000
       1672.80424000
        352.64973900
         33.94089520
         13.79577480
          6.15773318
          2.80085901
          1.12319133
       4517.29203e-4
       6573.37006e-5
       2695.83818e-5
 -0.003129635427 -0.000876250621  0.000000000000  0.000000000000  0.000000000000
 -0.017920843985 -0.005019977914  0.000000000000  0.000000000000  0.000000000000
 -0.056446402072 -0.015829963843  0.000000000000  0.000000000000  0.000000000000
  0.259539038142  0.073937880228  0.000000000000  0.000000000000  0.000000000000
  0.128111741680  0.036657985357  0.000000000000  0.000000000000  0.000000000000
 -0.465000319218 -0.139078118087  0.000000000000  0.000000000000  0.000000000000
 -0.632023198180 -0.210972320631  0.000000000000  0.000000000000  0.000000000000
  0.612885939595  0.252646487126  0.000000000000  0.000000000000  0.000000000000
  0.781719994261  0.453070909413  1.000000000000  0.000000000000  0.000000000000
  0.033829315940 -0.808455232640  0.000000000000  1.000000000000  0.000000000000
 -0.007367788721 -0.356603838558  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    8    4
        820.16840300
        187.92579900
         57.51190710
          8.88077680
          4.75270131
       9105.25377e-4
       3273.17643e-4
          0.05900000
  0.006909138688  0.000000000000  0.000000000000  0.000000000000
  0.041201354316  0.000000000000  0.000000000000  0.000000000000
  0.101625040619  0.000000000000  0.000000000000  0.000000000000
 -0.200348794313  0.000000000000  0.000000000000  0.000000000000
 -0.242107363119  0.000000000000  0.000000000000  0.000000000000
  0.689258331984  1.000000000000  0.000000000000  0.000000000000
  0.431178680511  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    7    4
         87.47660790
         24.54251730
          8.06862451
       9677.73776e-4
       3209.84125e-4
       9648.82155e-5
          0.03820000
 -0.015090675604  0.000000000000  0.000000000000  0.000000000000
 -0.072907937432  0.000000000000  0.000000000000  0.000000000000
 -0.129517690678  0.000000000000  0.000000000000  0.000000000000
  0.363205427407  0.000000000000  0.000000000000  0.000000000000
  0.560708724710  1.000000000000  0.000000000000  0.000000000000
  0.293799166408  0.000000000000  1.000000000000  0.000000000000
  0.000612551542  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
      10426.74528e-4
      37392.71074e-5
      16012.00174e-5
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: ZR-NP-(d2s2)3F-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.5336400000e5  1.1873100000e5  3.5734400000e4  1.1942800000e4  4.3267200000e3  1.6731000000e3  6.6562900000e2  2.5402200000e2  1.0967500000e2 49.942700000000 16.275500000000
  7.999010000000  3.696700000000
  0.020389661667  0.018331944750  0.030533984417  0.049791303833  0.078678955333  0.111942713333  0.131751853333  0.196292890833  0.354150546667  0.218259602500  0.512037153333
  0.531135804167  0.080036917917
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  1.3297840000e3  1.8955888000e2 33.366083000000
    8442591.80000000
    1264281.30000000
     287717.27000000
      81492.87900000
      26584.71000000
       9596.52460000
       3742.33040000
       1551.62420000
        676.17760000
        306.92164000
        142.74005000
         59.87214100
         29.57709700
         14.51881700
          6.15787320
          2.90091210
          0.90108419
          0.39968930
        720.48349e-4
        287.80689e-4
  0.000322471121 -0.000106358041 -0.000044310291
  0.000907042111 -0.000299732172 -0.000124920900
  0.002354028600 -0.000779690144 -0.000324944610
  0.005708416110 -0.001902922710 -0.000794358851
  0.013578756000 -0.004558099520 -0.001901709600
  0.032268779100 -0.011057561100 -0.004637983010
  0.075334114100 -0.026524017100 -0.011123714000
  0.162746950000 -0.061705352300 -0.026288200000
  0.290304930000 -0.124622881000 -0.053635854100
  0.350802431000 -0.199776801000 -0.090743642100
  0.208027480000 -0.136986641000 -0.063658994100
  0.030264282000  0.289339811000  0.172224740000
 -0.003944276210  0.594767593000  0.525472771000
  0.001786901700  0.277439351000  0.218657600000
 -0.000818092821  0.020127124100 -0.715127361000
  0.000333282751 -0.000300898852 -0.575242401000
 -0.000116579240  0.000036017361 -0.036997990100
  0.000055075664 -0.000073209759  0.006529804110
 -0.000014048602  0.000009511131 -0.001469114600
  0.000006407518 -0.000004365130  0.000648438001
   14    2
  1.6866074000e2 26.341710000000
      20443.15800000
       4841.96380000
       1571.90640000
        600.09943000
        253.70521000
        114.95163000
         54.48893600
         26.58473200
         12.81407000
          6.17636260
          2.98317960
          1.27234470
          0.56140671
          0.22769048
  0.000553669747 -0.000237388822
  0.002432962190 -0.001046181510
  0.010351232900 -0.004489508740
  0.037865296800 -0.016649008200
  0.113287309000 -0.051514537500
  0.254656059000 -0.121224751000
  0.381689228000 -0.194254442000
  0.300520198000 -0.114653391000
  0.085317628500  0.243768322000
  0.003649050780  0.537904845000
  0.001297162090  0.331158513000
 -0.000395157408  0.040452239400
  0.000160711139 -0.001879302020
 -0.000048176431  0.000568326055
   11    1
 14.781747000000
        745.69129000
        224.43078000
         86.84047500
         37.64104500
         17.41336600
          8.23233350
          3.90580500
          1.80171300
          0.73317421
          0.28250004
          0.09946416
  0.001008424000
  0.008173232440
  0.039365935200
  0.126363381000
  0.271113891000
  0.378243792000
  0.316671791000
  0.115531940000
  0.009595216240
 -0.000021178953
  0.000083023120
Spectral Representation Operator
External primitive basis
    3
   20
      12534.54140000
       1672.80424000
        352.64973900
         33.94089520
         13.79577480
          6.15773318
          2.80085901
          1.12319133
       4517.29203e-4
       6573.37006e-5
       2695.83818e-5
    8442591.80000000
    1264281.30000000
     287717.27000000
      81492.87900000
      26584.71000000
       3742.33040000
        676.17760000
        142.74005000
         59.87214100
   14
        820.16840300
        187.92579900
         57.51190710
          8.88077680
          4.75270131
       9105.25377e-4
       3273.17643e-4
          0.05900000
      20443.15800000
       4841.96380000
       1571.90640000
        114.95163000
         26.58473200
          2.98317960
   10
         87.47660790
         24.54251730
          8.06862451
       9677.73776e-4
       3209.84125e-4
       9648.82155e-5
          0.03820000
        745.69129000
        224.43078000
          3.90580500
    3
      10426.74528e-4
      37392.71074e-5
      16012.00174e-5
Exchange
NoPair
End of Spectral Representation Operator

/Nb.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.13el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
NIOBIUM (11s,8p,7d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ar,3d] (A1/71/7/3)
*NB-NP-(d4s1)6D-(A1/71/7/3)
********************************************************************************
    13.0   3
* s-type functions
   11    5
      13656.71830000
       1809.43728000
        375.36737000
         36.70171010
         17.96354480
          7.06053734
          3.65646686
          1.06578829
       4944.27919e-4
       7405.10496e-5
       2968.80396e-5
 -0.003179720000 -0.000841690000  0.000000000000  0.000000000000  0.000000000000
 -0.018203340000 -0.004821460000  0.000000000000  0.000000000000  0.000000000000
 -0.058346300000 -0.015469360000  0.000000000000  0.000000000000  0.000000000000
  0.246884720000  0.066447880000  0.000000000000  0.000000000000  0.000000000000
  0.126251460000  0.034651060000  0.000000000000  0.000000000000  0.000000000000
 -0.312788630000 -0.090045770000  0.000000000000  0.000000000000  0.000000000000
 -0.678164760000 -0.205674920000  0.000000000000  0.000000000000  0.000000000000
  0.564370150000  0.226117610000  0.000000000000  0.000000000000  0.000000000000
  0.736170850000  0.419186210000  1.000000000000  0.000000000000  0.000000000000
  0.036781240000 -0.736935800000  0.000000000000  1.000000000000  0.000000000000
 -0.017265550000 -0.428139950000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    8    4
        871.08089100
        199.46649200
         61.08228410
          9.45214111
          5.14569959
          1.00892759
       3638.91758e-4
          0.06500000
  0.007104940000  0.000000000000  0.000000000000  0.000000000000
  0.042296260000  0.000000000000  0.000000000000  0.000000000000
  0.104662970000  0.000000000000  0.000000000000  0.000000000000
 -0.207394560000  0.000000000000  0.000000000000  0.000000000000
 -0.244222980000  0.000000000000  0.000000000000  0.000000000000
  0.684476700000  1.000000000000  0.000000000000  0.000000000000
  0.437912110000  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    7    4
         95.20939840
         26.78514490
          8.87096074
          1.11198777
       3810.98069e-4
       1172.14128e-4
          0.03310000
 -0.014953680000  0.000000000000  0.000000000000  0.000000000000
 -0.073158730000  0.000000000000  0.000000000000  0.000000000000
 -0.131746200000  0.000000000000  0.000000000000  0.000000000000
  0.347444180000  0.000000000000  0.000000000000  0.000000000000
  0.525554040000  1.000000000000  0.000000000000  0.000000000000
  0.338385860000  0.000000000000  1.000000000000  0.000000000000
  0.031438330000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
      15217.70392e-4
      54574.19219e-5
      23369.31564e-5
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: NB-NP-(d4s1)6D-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.7719000000e5  1.2746500000e5  3.9223800000e4  1.3324300000e4  4.8805900000e3  1.8991000000e3  7.5949900000e2  2.8991800000e2  1.2343000000e2 57.072400000000 18.027900000000
  8.892600000000  4.154680000000
  0.018883339385  0.016517995154  0.027278463000  0.044244528154  0.069863027846  0.100635341538  0.120660662308  0.172344163846  0.321076827692  0.218018162308  0.453395421538
  0.511003450000  0.079924771538
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  1.4024039000e3  2.0155642000e2 35.933695000000
    8943850.30000000
    1339329.20000000
     304790.77000000
      86326.53400000
      28160.84700000
      10165.26200000
       3964.04810000
       1643.53010000
        716.21759000
        325.07841000
        151.17736000
         63.53678500
         31.45781200
         15.47068000
          6.58541050
          3.13070090
          1.00021880
          0.44210808
        789.48116e-4
        310.13898e-4
  0.000333902188 -0.000110576420  0.000046401519
  0.000936321475 -0.000310676291  0.000130420529
  0.002419477490 -0.000804709733  0.000337807689
  0.005836872670 -0.001953978310  0.000821601877
  0.013792704900 -0.004650321520  0.001954374390
  0.032538984800 -0.011200270000  0.004732316780
  0.075449919600 -0.026687300100  0.011274750000
  0.162298119000 -0.061799524200  0.026524527900
  0.289199558000 -0.124557981000  0.054003458800
  0.350457928000 -0.199726131000  0.091400082600
  0.209387279000 -0.137823641000  0.064473826700
  0.030927171800  0.286157241000 -0.171951759000
 -0.004026442880  0.593726562000 -0.528260748000
  0.001833118990  0.281149111000 -0.224999629000
 -0.000848691535  0.020703978100  0.717121667000
  0.000353216648 -0.000387328762  0.576445178000
 -0.000123272579  0.000035097167  0.037912348800
  0.000056526814 -0.000073135269 -0.006118210380
 -0.000014026038  0.000005625193  0.001366195690
  0.000006325575 -0.000005938843 -0.000623216037
   14    2
  1.7958799000e2 28.530164000000
      21860.63200000
       5177.61220000
       1680.91660000
        641.80000000
        271.40223000
        123.03087000
         58.36743000
         28.51454700
         13.79141500
          6.67628530
          3.24583330
          1.40431000
          0.62288168
          0.25331463
  0.000564357189 -0.000244333900
  0.002437099800 -0.001058370800
  0.010256947000 -0.004492266290
  0.037323363900 -0.016573158000
  0.111626260000 -0.051242319900
  0.251819290000 -0.121040110000
  0.380268589000 -0.195335240000
  0.303552470000 -0.119078490000
  0.088384650900  0.238287640000
  0.004011130190  0.539457469000
  0.001294847700  0.333825169000
 -0.000412543629  0.041233186900
  0.000157273520 -0.001551753500
 -0.000051306945  0.000625663979
   11    1
 16.398199000000
        778.39188000
        234.31006000
         90.66412700
         39.30431200
         18.18014900
          8.58940220
          4.07445310
          1.87366330
          0.79243979
          0.31595210
          0.11455126
  0.001062906410
  0.008570648240
  0.041160977200
  0.131595411000
  0.279697891000
  0.384360012000
  0.307871581000
  0.100432920000
  0.006686089730
  0.000460842512
 -0.000045874119
Spectral Representation Operator
External primitive basis
    3
   20
      13656.71830000
       1809.43728000
        375.36737000
         36.70171010
         17.96354480
          7.06053734
          3.65646686
          1.06578829
       4944.27919e-4
       7405.10496e-5
       2968.80396e-5
    8943850.33000000
    1339329.25000000
     304790.76600000
      86326.53350000
      28160.84720000
       3964.04811000
        716.21758900
        151.17735600
         63.53678500
   14
        871.08089100
        199.46649200
         61.08228410
          9.45214111
          5.14569959
          1.00892759
       3638.91758e-4
          0.06500000
      21860.63160000
       5177.61220000
       1680.91657000
        123.03087000
         28.51454700
          3.24583300
   10
         95.20939840
         26.78514490
          8.87096074
          1.11198777
       3810.98069e-4
       1172.14128e-4
          0.03310000
        778.39188300
        234.31005900
          4.07445300
    3
          1.52177046
       5457.41912e-4
       2336.93163e-4
Exchange
NoPair
End of Spectral Representation Operator

/Mo.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.14el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
MOLYBDENUM (11s,8p,7d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ar,3d] (A1/71/7/3)
*MO-NP-(d5s1)7S-(A1/71/7/3)
********************************************************************************
    14.0   3
* s-type functions
   11    5
      14940.00690000
       1969.95797000
        401.19567200
         37.95228630
         17.35635450
          6.72182947
          3.31913157
          1.36785764
       5721.70827e-4
       8074.13884e-5
       3177.00047e-5
 -0.003205699988 -0.000845823770  0.000000000000  0.000000000000  0.000000000000
 -0.018347868664 -0.004844085954  0.000000000000  0.000000000000  0.000000000000
 -0.060079132419 -0.015879326732  0.000000000000  0.000000000000  0.000000000000
  0.271112732438  0.072889326409  0.000000000000  0.000000000000  0.000000000000
  0.115729165194  0.031600114746  0.000000000000  0.000000000000  0.000000000000
 -0.489038140847 -0.141076729321  0.000000000000  0.000000000000  0.000000000000
 -0.614473942596 -0.192642489962  0.000000000000  0.000000000000  0.000000000000
  0.561961248960  0.219553965203  0.000000000000  0.000000000000  0.000000000000
  0.830823273906  0.451484552841  1.000000000000  0.000000000000  0.000000000000
  0.042665927506 -0.726752547884  0.000000000000  1.000000000000  0.000000000000
 -0.020224056806 -0.433856581519  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    8    4
        924.70456700
        211.56283800
         64.80113980
         10.03228740
          5.55190594
          1.11047044
          0.40127236
          0.07000000
  0.007321621788  0.000000000000  0.000000000000  0.000000000000
  0.043533334293  0.000000000000  0.000000000000  0.000000000000
  0.108125790842  0.000000000000  0.000000000000  0.000000000000
 -0.215767388747  0.000000000000  0.000000000000  0.000000000000
 -0.247246293717  0.000000000000  0.000000000000  0.000000000000
  0.691319542454  1.000000000000  0.000000000000  0.000000000000
  0.433085980068  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    7    4
        102.96717800
         29.05527430
          9.69215797
          1.26047835
       4432.07746e-4
       1392.47361e-4
          0.04320000
 -0.015801430664  0.000000000000  0.000000000000  0.000000000000
 -0.078086127446  0.000000000000  0.000000000000  0.000000000000
 -0.141787007396  0.000000000000  0.000000000000  0.000000000000
  0.362378231191  0.000000000000  0.000000000000  0.000000000000
  0.525283898027  1.000000000000  0.000000000000  0.000000000000
  0.314830132764  0.000000000000  1.000000000000  0.000000000000
  0.027214480281  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
          1.89133474
      67827.62115e-5
      29044.59094e-5
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: MO-NP-(d5s1)7S-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.5696700000e5  1.1965700000e5  3.6081900000e4  1.2103300000e4  4.4143300000e3  1.7206900000e3  6.8697900000e2  2.6488700000e2  1.1664200000e2 52.660000000000 18.074200000000
  9.112200000000  4.353580000000
  0.018530423214  0.016654516929  0.027690599143  0.044970762500  0.070275350000  0.098097255714  0.114358474286  0.177270530714  0.306585688571  0.174674094286  0.453526765000
  0.436951822143  0.060413718071
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  1.4773198000e3  2.1418010000e2 38.808896000000
    9422636.50000000
    1410896.30000000
     321050.67000000
      90926.69100000
      29660.58600000
      10706.45200000
       4175.04790000
       1731.01140000
        754.35375000
        342.40494000
        159.26350000
         67.00702500
         33.22016800
         16.36176600
          6.99824620
          3.35313590
          1.08994560
          0.47019253
        855.30518e-4
        336.37113e-4
  0.000346731161 -0.000115288371  0.000048715498
  0.000969531743 -0.000323004863  0.000136541599
  0.002495043410 -0.000833276367  0.000352243087
  0.005990189620 -0.002013787220  0.000852676752
  0.014067584000 -0.004763847540  0.002016174480
  0.032959135100 -0.011396991100  0.004849538950
  0.075913723300 -0.026978799200  0.011479044900
  0.162508621000 -0.062177735500  0.026880526700
  0.288840171000 -0.124922471000  0.054552622500
  0.349891161000 -0.199953872000  0.092194312100
  0.209449521000 -0.137321911000  0.064630051400
  0.031103121100  0.287090672000 -0.174432098000
 -0.004068216410  0.592836805000 -0.532809935000
  0.001858021810  0.281077142000 -0.225087538000
 -0.000868760883  0.020617932200  0.723999913000
  0.000365237491 -0.000387057123  0.572366904000
 -0.000124307630  0.000002912083  0.037669269600
  0.000055342626 -0.000059878934 -0.005665924650
 -0.000014228754  0.000001540595  0.001342454390
  0.000006392343 -0.000005650064 -0.000611526184
   14    2
  1.9108942000e2 31.011185000000
      23059.78300000
       5461.62070000
       1773.14280000
        677.06374000
        286.36329000
        129.85436000
         61.64137400
         30.13844100
         14.59718000
          7.09108870
          3.46785950
          1.51488920
          0.66797777
          0.26834383
  0.000583517950 -0.000254966230
  0.002483860200 -0.001088840800
  0.010353646000 -0.004577311390
  0.037466769000 -0.016797009000
  0.111772700000 -0.051803047900
  0.251933560000 -0.122308820000
  0.380180100000 -0.197189500000
  0.303201220000 -0.119352710000
  0.088294525000  0.241929850000
  0.003929097000  0.542521729000
  0.001279055000  0.327959260000
 -0.000425194600  0.039633725900
  0.000149684350 -0.001219556500
 -0.000050519412  0.000574107169
   11    1
 18.296001000000
        756.45500000
        227.67902000
         87.96203100
         38.04124300
         17.51472300
          8.21326330
          3.85547720
          1.70655910
          0.72274029
          0.28466538
          0.10168483
  0.001288385900
  0.010289833000
  0.048535410000
  0.151087500000
  0.306715140000
  0.395212640000
  0.276032780000
  0.067126417000
  0.001055501000
  0.000812322080
 -0.000235884480
Spectral Representation Operator
External primitive basis
    3
   20
      14940.00690000
       1969.95797000
        401.19567200
         37.95228630
         17.35635450
          6.72182947
          3.31913157
          1.36785764
       5721.70827e-4
       8074.13884e-5
       3177.00047e-5
    9422636.50000000
    1410896.30000000
     321050.67000000
      90926.69100000
      29660.58600000
       4175.04790000
        754.35375000
        159.26350000
         67.00702500
   14
        924.70456700
        211.56283800
         64.80113980
         10.03228740
          5.55190594
          1.11047044
          0.40127236
          0.07000000
      23059.78300000
       5461.62070000
       1773.14280000
        129.85436000
         30.13844100
          3.46785950
   10
        102.96717800
         29.05527430
          9.69215797
          1.26047835
       4432.07746e-4
       1392.47361e-4
          0.04320000
        756.45500000
        227.67902000
          3.85547720
    3
          1.89133474
      67827.62115e-5
      29044.59094e-5
Exchange
NoPair
End of Spectral Representation Operator

/Tc.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.15el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
TECHNETIUM (11s,8p,7d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ar,3d] (A1/71/7/3)
*TC-NP-(d5s2)6S-(A1/71/7/3)
********************************************************************************
    15.0   3
* s-type functions
   11    5
      15850.41150000
       2073.69243000
        423.48251700
         40.18090330
         20.00672370
          6.70380015
          3.38757955
          1.44843305
       6172.25332e-4
       8960.37949e-5
       3417.02986e-5
 -0.003343310082 -0.000872931062  0.000000000000  0.000000000000  0.000000000000
 -0.018959206525 -0.004953646990  0.000000000000  0.000000000000  0.000000000000
 -0.061637953463 -0.016120936543  0.000000000000  0.000000000000  0.000000000000
  0.274725938753  0.073070703055  0.000000000000  0.000000000000  0.000000000000
  0.107568369683  0.029290083651  0.000000000000  0.000000000000  0.000000000000
 -0.561765249221 -0.163331583391  0.000000000000  0.000000000000  0.000000000000
 -0.560873669033 -0.172577536457  0.000000000000  0.000000000000  0.000000000000
  0.619753412856  0.238249566552  0.000000000000  0.000000000000  0.000000000000
  0.794395813536  0.432381601981  1.000000000000  0.000000000000  0.000000000000
  0.037225959120 -0.692773636614  0.000000000000  1.000000000000  0.000000000000
 -0.013252911088 -0.469073103835  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    8    4
        981.54230500
        224.31433900
         68.69343450
         10.56887560
          5.90294343
          1.22645406
       4536.39428e-4
          0.07600000
  0.007567811167  0.000000000000  0.000000000000  0.000000000000
  0.044963657101  0.000000000000  0.000000000000  0.000000000000
  0.112208589448  0.000000000000  0.000000000000  0.000000000000
 -0.231274953332  0.000000000000  0.000000000000  0.000000000000
 -0.247310010761  0.000000000000  0.000000000000  0.000000000000
  0.697592797688  1.000000000000  0.000000000000  0.000000000000
  0.427849593615  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    7    4
        110.91179400
         31.36328280
         10.52651090
          1.44120907
       5392.32564e-4
       1840.92788e-4
          0.06580000
 -0.017495073427  0.000000000000  0.000000000000  0.000000000000
 -0.087293120724  0.000000000000  0.000000000000  0.000000000000
 -0.159324438445  0.000000000000  0.000000000000  0.000000000000
  0.383224804679  0.000000000000  0.000000000000  0.000000000000
  0.527442536514  1.000000000000  0.000000000000  0.000000000000
  0.265367325225  0.000000000000  1.000000000000  0.000000000000
  0.016071948284  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
      22831.60742e-4
       8187.94043e-4
      35061.73096e-5
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: TC-NP-(d5s2)6S-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.4659000000e5  1.1538000000e5  3.4295800000e4  1.1388300000e4  4.1320400000e3  1.6090300000e3  6.3939400000e2  2.5020100000e2  1.1337300000e2 49.757500000000 18.457600000000
  9.463610000000  4.599570000000
  0.018059913667  0.016540398600  0.027646912733  0.045029281467  0.069837110000  0.094897312000  0.109243876000  0.179308474667  0.285249699333  0.148373413333  0.441980938667
  0.382164396667  0.048334940667
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  1.5546403000e3  2.2753011000e2 42.088617000000
    9935518.20000000
    1487850.80000000
     338593.17000000
      95901.62100000
      31284.60200000
      11292.86000000
       4403.75670000
       1825.84830000
        795.69003000
        361.16599000
        167.99815000
         70.80319300
         35.16842400
         17.35221100
          7.45025110
          3.59806050
          1.20278160
          0.52586075
          0.09048982
          0.03462135
  0.000359412773 -0.000119983430 -0.000051039872
  0.001001891710 -0.000335131809 -0.000142619300
  0.002567433720 -0.000860969628 -0.000366399620
  0.006133823360 -0.002070678500 -0.000882676149
  0.014315388100 -0.004868830590 -0.002074575400
  0.033307620300 -0.011568956000 -0.004956277200
  0.076201743700 -0.027206196900 -0.011655057000
  0.162364322000 -0.062398665900 -0.027163777000
  0.288047393000 -0.125029640000 -0.054974752000
  0.349411143000 -0.199964450000 -0.092852245900
  0.210236062000 -0.137559060000 -0.065117167900
  0.031578311300  0.285410259000  0.175041100000
 -0.004130419040  0.591751879000  0.536001760000
  0.001896289920  0.283432959000  0.229099750000
 -0.000897852908  0.020984218000 -0.727494419000
  0.000385742024 -0.000443407879 -0.571326930000
 -0.000132466701 -0.000009650861 -0.038948939000
  0.000057144551 -0.000059346081  0.005473439000
 -0.000013435911  0.000004232457 -0.001213423900
  0.000006025156 -0.000001885190  0.000528113620
   14    2
  2.0326223000e2 33.880948000000
      24771.42200000
       5866.89240000
       1904.78400000
        727.44238000
        307.75249000
        139.62818000
         66.33899500
         32.48309100
         15.80080100
          7.70748690
          3.78929270
          1.67768120
          0.74895232
          0.30624764
  0.000589960483 -0.000260028096
  0.002465903110 -0.001090591190
  0.010160286100 -0.004530827740
  0.036561487200 -0.016534307800
  0.109119081000 -0.050980719300
  0.247376801000 -0.121073068000
  0.377856532000 -0.197471697000
  0.308107462000 -0.126175838000
  0.093310017500  0.230755977000
  0.004617755430  0.542520183000
  0.001272903510  0.336337305000
 -0.000438813553  0.042569446400
  0.000149724331 -0.001122982280
 -0.000050602725  0.000539411693
   11    1
 20.570344000000
        873.38067000
        263.02620000
        101.85337000
         44.22823400
         20.49859800
          9.71298390
          4.63013380
          2.12665980
          0.93485071
          0.38749437
          0.14548765
  0.001098967700
  0.008780570580
  0.042205724900
  0.135106510000
  0.286734930000
  0.390391699000
  0.298814449000
  0.087006296900
  0.003950199590
  0.000732040519
 -0.000183755970
Spectral Representation Operator
External primitive basis
    3
   20
      15850.41150000
       2073.69243000
        423.48251700
         40.18090330
         20.00672370
          6.70380015
          3.38757955
          1.44843305
       6172.25332e-4
       8960.37949e-5
       3417.02986e-5
    9935518.20000000
    1487850.80000000
     338593.17000000
      95901.62100000
      31284.60200000
       4403.75670000
        795.69003000
        167.99815000
         70.80319300
   14
        981.54230500
        224.31433900
         68.69343450
         10.56887560
          5.90294343
          1.22645406
       4536.39428e-4
          0.07600000
      24771.42200000
       5866.89240000
       1904.78400000
        139.62818000
         32.48309100
          3.78929270
   10
        110.91179400
         31.36328280
         10.52651090
          1.44120907
       5392.32564e-4
       1840.92788e-4
          0.06580000
        873.38067000
        263.02620000
          4.63013380
    3
      22831.60742e-4
       8187.94043e-4
      35061.73096e-5
Exchange
NoPair
End of Spectral Representation Operator

/Ru.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.16el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
RUTHENIUM (11s,8p,7d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ar,3d] (A1/71/7/3)
*RU-NP-(d7s1)5F-(A1/71/7/3)
********************************************************************************
    16.0   3
* s-type functions
   11    5
      16917.15250000
       2197.22508000
        447.46941800
         42.11364560
         20.52792180
          7.27416070
          3.82240028
          1.49723475
       6507.37763e-4
       8852.15084e-5
       3363.41765e-5
 -0.003422698430 -0.000850345579  0.000000000000  0.000000000000  0.000000000000
 -0.019282188108 -0.004793845374  0.000000000000  0.000000000000  0.000000000000
 -0.062612494342 -0.015583420674  0.000000000000  0.000000000000  0.000000000000
  0.284973721429  0.072215893804  0.000000000000  0.000000000000  0.000000000000
  0.107885651421  0.027859345436  0.000000000000  0.000000000000  0.000000000000
 -0.543654854483 -0.149911020304  0.000000000000  0.000000000000  0.000000000000
 -0.562720660384 -0.164985964436  0.000000000000  0.000000000000  0.000000000000
  0.623468616747  0.236281689325  0.000000000000  0.000000000000  0.000000000000
  0.765742295417  0.387911384169  1.000000000000  0.000000000000  0.000000000000
  0.036462309294 -0.682916054188  0.000000000000  1.000000000000  0.000000000000
 -0.015371303891 -0.465344884307  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    8    4
       1040.33483000
        237.35592500
         72.66329720
         11.21018720
          6.38260303
          1.32555466
       4819.32772e-4
          0.07400000
  0.007692378999  0.000000000000  0.000000000000  0.000000000000
  0.045678006603  0.000000000000  0.000000000000  0.000000000000
  0.114393947741  0.000000000000  0.000000000000  0.000000000000
 -0.234410037685  0.000000000000  0.000000000000  0.000000000000
 -0.248574202921  0.000000000000  0.000000000000  0.000000000000
  0.702580613661  1.000000000000  0.000000000000  0.000000000000
  0.425191293035  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    7    4
        120.22527400
         34.07763790
         11.49486730
          1.56613219
       5592.74043e-4
       1752.51696e-4
          0.07280000
 -0.016789307761  0.000000000000  0.000000000000  0.000000000000
 -0.084853488321  0.000000000000  0.000000000000  0.000000000000
 -0.158081423686  0.000000000000  0.000000000000  0.000000000000
  0.385218651925  0.000000000000  0.000000000000  0.000000000000
  0.520849424346  1.000000000000  0.000000000000  0.000000000000
  0.289625379293  0.000000000000  1.000000000000  0.000000000000
  0.024780699488  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
          2.69244083
       9655.71254e-4
          0.41346907
  0.173785700000
  0.597338100000
  0.392939600000
********************************************************************************
* Core AIMP: RU-NP-(d7s1)5F-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.4365000000e5  1.1421400000e5  3.3867200000e4  1.1238600000e4  4.0819400000e3  1.5892800000e3  6.2866300000e2  2.4851100000e2  1.1429500000e2 48.959500000000 19.102300000000
  9.904560000000  4.855390000000
  0.017502510813  0.016101844562  0.026916792063  0.043794353438  0.067531480000  0.090754873750  0.104279545625  0.175869785000  0.265288773125  0.134517597500  0.425650673125
  0.342099083125  0.039692686937
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  1.6335502000e3  2.4073739000e2 44.895999000000
   10442264.00000000
    1563739.80000000
     355866.58000000
     100794.95000000
      32881.26400000
      11869.38000000
       4628.64910000
       1919.13350000
        836.37353000
        379.65406000
        176.62665000
         74.52463100
         37.06761800
         18.31768200
          7.89748070
          3.83986500
          1.30892510
          0.57036644
        973.21474e-4
        367.61107e-4
  0.000373060741 -0.000125032621 -0.000053512952
  0.001036912300 -0.000348230782 -0.000149100650
  0.002646426800 -0.000891061644 -0.000381531881
  0.006293126610 -0.002133269010 -0.000914945411
  0.014599869000 -0.004986998230 -0.002138079400
  0.033742882100 -0.011772877100 -0.005075007510
  0.076684828100 -0.027506208100 -0.011857577000
  0.162580580000 -0.062776078300 -0.027502309000
  0.287653631000 -0.125362471000 -0.055472424100
  0.348809491000 -0.200117121000 -0.093534598100
  0.210320160000 -0.137033041000 -0.065200711100
  0.031780879100  0.285988261000  0.177154650000
 -0.004170770510  0.590716243000  0.539634411000
  0.001922856700  0.283749091000  0.229850190000
 -0.000919527172  0.020955607100 -0.733366501000
  0.000400594571 -0.000447079752 -0.567818251000
 -0.000137056540 -0.000032172486 -0.039186780100
  0.000057636018 -0.000050571654  0.005067942710
 -0.000013258202 -0.000000859995 -0.001146183700
  0.000005894166 -0.000003072248  0.000504916311
   14    2
  2.1524213000e2 36.268960000000
      26248.82000000
       6216.72020000
       2018.39230000
        770.89953000
        326.19723000
        148.04965000
         70.38486700
         34.49760000
         16.81923000
          8.23216620
          4.06658300
          1.81753090
          0.81353067
          0.33293977
  0.000605106529 -0.000268889698
  0.002491118600 -0.001110923090
  0.010159207000 -0.004567948070
  0.036346071000 -0.016574819900
  0.108291870000 -0.051008962700
  0.245829020000 -0.121320919000
  0.376913489000 -0.198564419000
  0.309613880000 -0.128710679000
  0.095087232900  0.228585139000
  0.004834080590  0.544324367000
  0.001260731200  0.336170838000
 -0.000454367399  0.042636332700
  0.000145351340 -0.000811387985
 -0.000054006365  0.000607474756
   11    1
 22.358650000000
        916.66808000
        276.12201000
        106.95018000
         46.46864100
         21.55144100
         10.22334100
          4.88477740
          2.24036070
          0.98932739
          0.41059644
          0.15392920
  0.001132008700
  0.008998188380
  0.043195919900
  0.138023470000
  0.291603049000
  0.393249069000
  0.292055249000
  0.079782640800
  0.003174113190
  0.000998961078
 -0.000074792894
Spectral Representation Operator
External primitive basis
    3
   20
      16917.15250000
       2197.22508000
        447.46941800
         42.11364560
         20.52792180
          7.27416070
          3.82240028
          1.49723475
       6507.37763e-4
       8852.15084e-5
       3363.41765e-5
   10442264.00000000
    1563739.80000000
     355866.58000000
     100794.95000000
      32881.26400000
       4628.64910000
        836.37353000
        176.62665000
         74.52463100
   14
       1040.33483000
        237.35592500
         72.66329720
         11.21018720
          6.38260303
          1.32555466
       4819.32772e-4
          0.07400000
      26248.82000000
       6216.72020000
       2018.39230000
        148.04965000
         34.49760000
          4.06658300
   10
        120.22527400
         34.07763790
         11.49486730
          1.56613219
       5592.74043e-4
       1752.51696e-4
          0.07280000
        916.66808000
        276.12201000
          4.88477740
    3
          2.69244083
       9655.71254e-4
          0.41346907
Exchange
NoPair
End of Spectral Representation Operator

/Rh.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.17el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
RHODIUM (11s,8p,7d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ar,3d] (A1/71/7/3)
*RH-NP-(d8s1)4F-(A1/71/7/3)
********************************************************************************
    17.0   3
* s-type functions
   11    5
      18024.02580000
       2323.24549000
        471.18285500
         44.23952970
         18.23299160
          9.28518095
          4.76860067
          1.50877278
       6851.53174e-4
       9127.51768e-5
       3418.78402e-5
 -0.003515908202 -0.000842975122  0.000000000000  0.000000000000  0.000000000000
 -0.019701918407 -0.004727309063  0.000000000000  0.000000000000  0.000000000000
 -0.063872435600 -0.015340952859  0.000000000000  0.000000000000  0.000000000000
  0.298515971097  0.072989952694  0.000000000000  0.000000000000  0.000000000000
  0.155269089932  0.039436462221  0.000000000000  0.000000000000  0.000000000000
 -0.410828931045 -0.109186339684  0.000000000000  0.000000000000  0.000000000000
 -0.712796203946 -0.196566358989  0.000000000000  0.000000000000  0.000000000000
  0.624135929809  0.233450131559  0.000000000000  0.000000000000  0.000000000000
  0.722395778960  0.352816652965  1.000000000000  0.000000000000  0.000000000000
  0.032781859917 -0.666640420658  0.000000000000  1.000000000000  0.000000000000
 -0.013175908196 -0.475423567269  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    8    4
       1102.08983000
        251.04737400
         76.81274260
         11.80368720
          6.80386691
          1.43845679
       5238.83821e-4
          0.07500000
  0.007846676835  0.000000000000  0.000000000000  0.000000000000
  0.046563492081  0.000000000000  0.000000000000  0.000000000000
  0.117123929170  0.000000000000  0.000000000000  0.000000000000
 -0.244746007628  0.000000000000  0.000000000000  0.000000000000
 -0.246493847508  0.000000000000  0.000000000000  0.000000000000
  0.706627327651  1.000000000000  0.000000000000  0.000000000000
  0.422729246713  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    7    4
        129.14566400
         36.68062820
         12.43422500
          1.72780654
       6217.45783e-4
       1956.65629e-4
          0.07620000
 -0.017164789501  0.000000000000  0.000000000000  0.000000000000
 -0.087515101402  0.000000000000  0.000000000000  0.000000000000
 -0.164775894834  0.000000000000  0.000000000000  0.000000000000
  0.393173248384  0.000000000000  0.000000000000  0.000000000000
  0.518604180861  1.000000000000  0.000000000000  0.000000000000
  0.281995878700  0.000000000000  1.000000000000  0.000000000000
  0.024158038493  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
      31354.44134e-4
      11244.42503e-4
      48149.96012e-5
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: RH-NP-(d8s1)4F-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.8437300000e5  1.2954800000e5  4.0070200000e4  1.3730500000e4  5.0976500000e3  2.0178500000e3  8.1850200000e2  3.2117700000e2  1.4242000000e2 66.265000000000 22.368400000000
 11.474700000000  5.606970000000
  0.016137552353  0.014091470235  0.023148685412  0.037236847529  0.057580588353  0.079797116471  0.093116914118  0.140883448824  0.248342951176  0.150376594706  0.362460185882
  0.372675995294  0.051210472824
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  1.7148611000e3  2.5464450000e2 48.077189000000
   10938897.00000000
    1638455.20000000
     372919.88000000
     105633.96000000
      34461.90100000
      12440.55700000
       4851.59820000
       2011.67040000
        876.76107000
        398.03149000
        185.22263000
         78.20745300
         38.94041700
         19.27128300
          8.34698310
          4.08302190
          1.41605430
          0.61437741
          0.10332854
        385.94739e-4
  0.000387740858 -0.000130464780  0.000056166909
  0.001074415700 -0.000362260030  0.000156022449
  0.002731200390 -0.000923321141  0.000397682648
  0.006465305270 -0.002200712800  0.000949464675
  0.014913047900 -0.005115885800  0.002206429590
  0.034243112900 -0.012001535000  0.005204654970
  0.077308643700 -0.027860306000  0.012083051900
  0.163048919000 -0.063265320100  0.027888167900
  0.287529909000 -0.125851280000  0.056033365700
  0.348111929000 -0.200354820000  0.094252497500
  0.209920639000 -0.135972090000  0.064996176700
  0.031800841900  0.288123380000 -0.180339579000
 -0.004201928880  0.589697660000 -0.543856237000
  0.001944760090  0.282648130000 -0.228105549000
 -0.000939245386  0.020669520000  0.740935976000
  0.000413925218 -0.000409111720  0.562259917000
 -0.000140872959 -0.000069194450  0.039202960800
  0.000057809145 -0.000038297743 -0.004727319380
 -0.000013031119 -0.000003185227  0.001081424190
  0.000005775020 -0.000001070730 -0.000470907018
   14    2
  2.2786078000e2 39.013381000000
      27764.47900000
       6575.32490000
       2134.79010000
        815.40895000
        345.08512000
        156.67254000
         74.52767200
         36.56042300
         17.86202300
          8.77037720
          4.35110970
          1.96099460
          0.87950291
          0.36040201
  0.000621077329 -0.000278130271
  0.002519739190 -0.001132579900
  0.010172346000 -0.004609880010
  0.036178786900 -0.016630371000
  0.107584990000 -0.051070763100
  0.244464399000 -0.121608320000
  0.376054379000 -0.199623140000
  0.310914099000 -0.130993420000
  0.096664049800  0.226949951000
  0.005025027790  0.546036621000
  0.001246511100  0.335667471000
 -0.000468027509  0.042753400100
  0.000141182670 -0.000580116401
 -0.000054798616  0.000603092391
   11    1
 24.490026000000
        967.92128000
        291.61957000
        112.99639000
         49.13703000
         22.81488500
         10.84383400
          5.20014010
          2.39162480
          1.06083220
          0.44171019
          0.16594689
  0.001148153600
  0.009081366670
  0.043597013900
  0.139344490000
  0.294197759000
  0.394913709000
  0.287637559000
  0.075845312800
  0.002874688890
  0.001090282300
 -0.000017141179
Spectral Representation Operator
External primitive basis
    3
   20
      18024.02580000
       2323.24549000
        471.18285500
         44.23952970
         18.23299160
          9.28518095
          4.76860067
          1.50877278
       6851.53174e-4
       9127.51768e-5
       3418.78402e-5
   10938897.00000000
    1638455.20000000
     372919.88000000
     105633.96000000
      34461.90100000
       4851.59820000
        876.76107000
        185.22263000
         78.20745300
   14
       1102.08983000
        251.04737400
         76.81274260
         11.80368720
          6.80386691
          1.43845679
       5238.83821e-4
          0.07500000
      27764.47900000
       6575.32490000
       2134.79010000
        156.67254000
         36.56042300
          4.35110970
   10
        129.14566400
         36.68062820
         12.43422500
          1.72780654
       6217.45783e-4
       1956.65629e-4
          0.07620000
        967.92128000
        291.61957000
          5.20014010
    3
      31354.44134e-4
      11244.42503e-4
      48149.96012e-5
Exchange
NoPair
End of Spectral Representation Operator

/Pd.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.18el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
PALLADIUM (11s,8p,7d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ar,3D] (A1/71/7/3)
*PD-NP-(d9s1)3D-(A1/71/7/3)
********************************************************************************
    18.0   3
* s-type functions
   11    5
      19143.61820000
       2452.84267000
        496.22375300
         46.69192300
         21.08295890
          9.63844398
          5.12848505
          1.66291793
       7388.97076e-4
       9314.67975e-5
       3451.25302e-5
 -0.003610590000 -0.000834190000  0.000000000000  0.000000000000  0.000000000000
 -0.020075440000 -0.004641880000  0.000000000000  0.000000000000  0.000000000000
 -0.064921610000 -0.015025750000  0.000000000000  0.000000000000  0.000000000000
  0.299542830000  0.070573050000  0.000000000000  0.000000000000  0.000000000000
  0.135652990000  0.033238940000  0.000000000000  0.000000000000  0.000000000000
 -0.380292720000 -0.098427940000  0.000000000000  0.000000000000  0.000000000000
 -0.737801270000 -0.195085170000  0.000000000000  0.000000000000  0.000000000000
  0.622349680000  0.221724450000  0.000000000000  0.000000000000  0.000000000000
  0.737403140000  0.344130760000  1.000000000000  0.000000000000  0.000000000000
  0.030805070000 -0.655586710000  0.000000000000  1.000000000000  0.000000000000
 -0.011954970000 -0.479654590000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    8    4
       1162.56250000
        264.61877200
         80.98508910
         12.47188030
          7.28442623
          1.55301271
       5663.06773e-4
          0.07700000
  0.008020750000  0.000000000000  0.000000000000  0.000000000000
  0.047462860000  0.000000000000  0.000000000000  0.000000000000
  0.119593760000  0.000000000000  0.000000000000  0.000000000000
 -0.250600060000  0.000000000000  0.000000000000  0.000000000000
 -0.247653190000  0.000000000000  0.000000000000  0.000000000000
  0.710554350000  1.000000000000  0.000000000000  0.000000000000
  0.419863640000  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    7    4
        138.30674800
         39.35687280
         13.40255250
          1.89538692
          0.68667140
       2170.61028e-4
          0.08380000
 -0.017500600000  0.000000000000  0.000000000000  0.000000000000
 -0.089897700000  0.000000000000  0.000000000000  0.000000000000
 -0.170970910000  0.000000000000  0.000000000000  0.000000000000
  0.399443820000  0.000000000000  0.000000000000  0.000000000000
  0.516786330000  1.000000000000  0.000000000000  0.000000000000
  0.275162470000  0.000000000000  1.000000000000  0.000000000000
  0.023332940000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
      36121.70996e-4
      12954.07739e-4
      55470.89405e-5
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: PD-NP-(d9s1)3D-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.8450000000e5  1.2962800000e5  4.0131300000e4  1.3781800000e4  5.1327500000e3  2.0380000000e3  8.2823200000e2  3.2748700000e2  1.4695300000e2 68.475600000000 23.527700000000
 12.160900000000  5.976470000000
  0.015671276778  0.013681001111  0.022453290278  0.036019182500  0.055436631611  0.076122512222  0.088313040000  0.135517462778  0.234310001667  0.137999858333  0.345758440000
  0.348081072778  0.046191784833
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  1.7983260000e3  2.6897852000e2 51.353890000000
   11450476.00000000
    1714586.30000000
     390306.34000000
     110572.54000000
      36073.79500000
      13021.82800000
       5077.90090000
       2105.34360000
        917.54815000
        416.55746000
        193.88088000
         81.90468500
         40.81286800
         20.22550200
          8.80161670
          4.32871170
          1.52463730
          0.65854705
          0.10897584
        402.87717e-4
  0.000402909579 -0.000136099751 -0.000058919730
  0.001113433300 -0.000376899882 -0.000163234310
  0.002818519690 -0.000956668854 -0.000414353100
  0.006642733390 -0.002270425910 -0.000985039249
  0.015237314000 -0.005249483120 -0.002276851600
  0.034769540900 -0.012241081100 -0.005338766500
  0.077993730900 -0.028239065100 -0.012317784000
  0.163639480000 -0.063808468300 -0.028292996000
  0.287559029000 -0.126422171000 -0.056619244000
  0.347407769000 -0.200644751000 -0.094973975900
  0.209269100000 -0.134612721000 -0.064611681000
  0.031708787900  0.291136701000  0.184125120000
 -0.004219339490  0.588705132000  0.548281070000
  0.001959959000  0.280730721000  0.224826000000
 -0.000955521468  0.020231768100 -0.749384549000
  0.000425141279 -0.000352186241 -0.555529740000
 -0.000143806860 -0.000108465880 -0.039030784000
  0.000057583552 -0.000025869723  0.004399561700
 -0.000012713136 -0.000005135019 -0.001019506100
  0.000005622214  0.000001264696  0.000441275540
   14    2
  2.4084468000e2 41.837538000000
      29311.05500000
       6941.98470000
       2253.91000000
        860.97047000
        364.42230000
        165.50250000
         78.77149200
         38.67418100
         18.93092800
          9.32306420
          4.64328730
          2.10812000
          0.94701867
          0.38857032
  0.000638006404 -0.000287811210
  0.002551668720 -0.001155524100
  0.010198575100 -0.004656267700
  0.036054389200 -0.016698779000
  0.106982791000 -0.051160543000
  0.243253832000 -0.121919850000
  0.375251942000 -0.200634540000
  0.312042132000 -0.133041450000
  0.098080690600  0.225637040000
  0.005197313930  0.547698330000
  0.001231014410  0.334986040000
 -0.000481014133  0.042823711000
  0.000136877921 -0.000365143040
 -0.000055518472  0.000600631950
   11    1
 26.689921000000
       1022.20420000
        308.02749000
        119.39395000
         51.96076700
         24.15369000
         11.50373100
          5.53783250
          2.55755390
          1.13878320
          0.47559260
          0.17905511
  0.001160484800
  0.009133653570
  0.043860996900
  0.140284860000
  0.296205069000
  0.396173399000
  0.283797889000
  0.072925190800
  0.002866985790
  0.001229036900
  0.000079348879
Spectral Representation Operator
External primitive basis
    3
   20
      19143.61820000
       2452.84267000
        496.22375300
         46.69192300
         21.08295890
          9.63844398
          5.12848505
          1.66291793
       7388.97076e-4
       9314.67975e-5
       3451.25302e-5
   11450475.50000000
    1714586.32000000
     390306.33500000
     110572.53800000
      36073.79540000
       5077.90089000
        917.54815400
        193.88087600
         81.90468500
   14
       1162.56250000
        264.61877200
         80.98508910
         12.47188030
          7.28442623
          1.55301271
       5663.06773e-4
          0.07700000
      29311.05550000
       6941.98472000
       2253.91002000
        165.50249500
         38.67418100
          4.64328700
   10
        138.30674800
         39.35687280
         13.40255250
          1.89538692
          0.68667140
       2170.61028e-4
          0.08380000
       1022.20417000
        308.02749100
          5.53783200
    3
          3.61217115
          1.29540772
          0.55470896
Exchange
NoPair
End of Spectral Representation Operator

/Ag.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.19el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
SILVER (11s,8p,7d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ar,3d] (A1/71/7/3)
*AG-NP-(d10s1)2S-(A1/71/7/3)
********************************************************************************
    19.0   3
* s-type functions
   11    5
      20518.75760000
       2606.72686000
        524.12613000
         48.37225850
         18.15035200
         10.02657410
          4.85513422
          1.90540673
       7923.55078e-4
       9468.34963e-5
       3476.88842e-5
 -0.003672003881 -0.000815136485  0.000000000000  0.000000000000  0.000000000000
 -0.020333848441 -0.004517677538  0.000000000000  0.000000000000  0.000000000000
 -0.065902856759 -0.014655190851  0.000000000000  0.000000000000  0.000000000000
  0.319840372292  0.072465117649  0.000000000000  0.000000000000  0.000000000000
  0.184310748966  0.043946301807  0.000000000000  0.000000000000  0.000000000000
 -0.561296620610 -0.139456256176  0.000000000000  0.000000000000  0.000000000000
 -0.696838795012 -0.178563243918  0.000000000000  0.000000000000  0.000000000000
  0.676693788210  0.223718038812  0.000000000000  0.000000000000  0.000000000000
  0.754522063115  0.337904366703  1.000000000000  0.000000000000  0.000000000000
  0.028579619660 -0.644074840337  0.000000000000  1.000000000000  0.000000000000
 -0.010798085600 -0.485014288005  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    8    4
       1224.63380000
        278.57579100
         85.28367000
         13.14915150
          7.77386076
          1.67104585
       6097.77321e-4
          0.07800000
  0.008191349621  0.000000000000  0.000000000000  0.000000000000
  0.048311222061  0.000000000000  0.000000000000  0.000000000000
  0.121909097306  0.000000000000  0.000000000000  0.000000000000
 -0.257104233820  0.000000000000  0.000000000000  0.000000000000
 -0.247500507186  0.000000000000  0.000000000000  0.000000000000
  0.713929198614  1.000000000000  0.000000000000  0.000000000000
  0.417453248815  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    7    4
        147.70085700
         42.10173320
         14.39717500
          2.06877596
       7547.32186e-4
       2401.66827e-4
          0.08660000
 -0.017593953734  0.000000000000  0.000000000000  0.000000000000
 -0.091128237259  0.000000000000  0.000000000000  0.000000000000
 -0.174289297892  0.000000000000  0.000000000000  0.000000000000
  0.405986997836  0.000000000000  0.000000000000  0.000000000000
  0.514260308334  1.000000000000  0.000000000000  0.000000000000
  0.269962327815  0.000000000000  1.000000000000  0.000000000000
  0.022385276481  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
      41226.21301e-4
      14784.66978e-4
      63309.70756e-5
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: AG-NP-(d10s1)2S-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.8038000000e5  1.2750600000e5  3.9147200000e4  1.3343200000e4  4.9414500000e3  1.9569200000e3  7.9160300000e2  3.1542800000e2  1.4413100000e2 65.563700000000 23.961700000000
 12.564350000000  6.280190000000
  0.015344587526  0.013544115053  0.022309110000  0.035945378421  0.055058002105  0.074156126316  0.085329051579  0.137427421053  0.223614247895  0.119625863684  0.342732536842
  0.310349124737  0.038248645316
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  1.8839541000e3  2.8373626000e2 54.720251000000
   11955556.00000000
    1790550.10000000
     407520.42000000
     115434.60000000
      37659.55500000
      13595.03200000
       5301.90790000
       2198.46970000
        958.27305000
        435.13566000
        202.60138000
         85.62192600
         42.69432700
         21.18607100
          9.26271030
          4.57708810
          1.63489700
          0.70307215
          0.11434279
        418.71815e-4
  0.000418989814 -0.000142083560 -0.000061835167
  0.001154565010 -0.000392362280 -0.000170829861
  0.002912310020 -0.000992461050 -0.000432135192
  0.006834451360 -0.002345565000 -0.001023051710
  0.015591388100 -0.005394432100 -0.002352260410
  0.035355146300 -0.012503795000 -0.005482826130
  0.078788178700 -0.028661752000 -0.012570477100
  0.164389371000 -0.064426416000 -0.028727191200
  0.287704182000 -0.127070020000 -0.057229171300
  0.346576293000 -0.200931460000 -0.095676736500
  0.208347222000 -0.132930580000 -0.064029778400
  0.031536287300  0.294791800000  0.188364471000
 -0.004233535140  0.587628940000  0.552703843000
  0.001973300620  0.278278330000  0.220433521000
 -0.000969946938  0.019686204000 -0.758450154000
  0.000434847414 -0.000275972550 -0.547927683000
 -0.000146100581 -0.000152237910 -0.038699650200
  0.000057113885 -0.000012242464  0.004076333920
 -0.000012336587 -0.000007356278 -0.000956966085
  0.000005426218  0.000003433079  0.000413462622
   14    2
  2.5418731000e2 44.734772000000
      30871.77000000
       7311.36700000
       2373.87920000
        906.87967000
        383.91657000
        174.40607000
         83.05168700
         40.80633600
         20.00835300
          9.88172280
          4.93896670
          2.25749760
          1.01552720
          0.41722220
  0.000656316401 -0.000298131621
  0.002589488900 -0.001180973210
  0.010248372000 -0.004712180620
  0.036008021000 -0.016797481100
  0.106578030000 -0.051327264200
  0.242360300000 -0.122348341000
  0.374597851000 -0.201664511000
  0.312822690000 -0.134630291000
  0.099148708100  0.225154921000
  0.005317543010  0.549402202000
  0.001215672900  0.333634811000
 -0.000494356141  0.042716985200
  0.000132762070 -0.000152348811
 -0.000056203742  0.000595639443
   11    1
 28.951162000000
       1077.54760000
        324.78084000
        125.93986000
         54.85624600
         25.52947200
         12.18405800
          5.88780800
          2.73225610
          1.22085480
          0.51133179
          0.19292436
  0.001174471490
  0.009194935360
  0.044147429800
  0.141256089000
  0.298223829000
  0.397424478000
  0.280130209000
  0.070014324700
  0.002212978790
  0.000698078197
 -0.000164915369
Spectral Representation Operator
External primitive basis
    3
   20
      20518.75760000
       2606.72686000
        524.12613000
         48.37225850
         18.15035200
         10.02657410
          4.85513422
          1.90540673
       7923.55078e-4
       9468.34963e-5
       3476.88842e-5
   11955556.00000000
    1790550.10000000
     407520.42000000
     115434.60000000
      37659.55500000
       5301.90790000
        958.27305000
        202.60138000
         85.62192600
   14
       1224.63380000
        278.57579100
         85.28367000
         13.14915150
          7.77386076
          1.67104585
       6097.77321e-4
          0.07800000
      30871.77000000
       7311.36700000
       2373.87920000
        174.40607000
         40.80633600
          4.93896670
   10
        147.70085700
         42.10173320
         14.39717500
          2.06877596
       7547.32186e-4
       2401.66827e-4
          0.08660000
       1077.54760000
        324.78084000
          5.88780800
    3
      41226.21301e-4
      14784.66978e-4
      63309.70756e-5
Exchange
NoPair
End of Spectral Representation Operator

/Cd.NP-AIMP.Rakowitz.11s8p7d3f.5s4p4d1f.ECP.20el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
CADMIUM (11s,8p,7d,3f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Ar,3d] (A1/71/7/3)
*CD-NP-(d10s2)1S-(A1/71/7/3)
********************************************************************************
    20.0   3
* s-type functions
   11    5
      21853.98590000
       2756.32757000
        551.70807700
         50.66690160
         18.72571320
         10.23501780
          4.77412343
          2.30791002
       9284.96395e-4
       1208.52304e-4
       4370.44818e-5
 -0.003770092756 -0.000929505204  0.000000000000  0.000000000000  0.000000000000
 -0.020753314191 -0.005120946020  0.000000000000  0.000000000000  0.000000000000
 -0.067213569894 -0.016603666184  0.000000000000  0.000000000000  0.000000000000
  0.329451320700  0.083113199479  0.000000000000  0.000000000000  0.000000000000
  0.186678061362  0.048863653641  0.000000000000  0.000000000000  0.000000000000
 -0.637593745493 -0.175124007926  0.000000000000  0.000000000000  0.000000000000
 -0.722916549750 -0.213538882695  0.000000000000  0.000000000000  0.000000000000
  0.656968498522  0.241150972188  0.000000000000  0.000000000000  0.000000000000
  0.853501847586  0.418499083196  1.000000000000  0.000000000000  0.000000000000
  0.038916581008 -0.667981438668  0.000000000000  1.000000000000  0.000000000000
 -0.014568948638 -0.480705918719  0.000000000000  0.000000000000  1.000000000000
* p-type functions
    8    4
       1291.79120000
        293.44901800
         89.79891540
         13.76174890
          8.16959841
          1.80674425
       6712.31599e-4
          0.09900000
  0.008384334470  0.000000000000  0.000000000000  0.000000000000
  0.049354126470  0.000000000000  0.000000000000  0.000000000000
  0.124932601377  0.000000000000  0.000000000000  0.000000000000
 -0.272730470776  0.000000000000  0.000000000000  0.000000000000
 -0.242853729510  0.000000000000  0.000000000000  0.000000000000
  0.718542611643  1.000000000000  0.000000000000  0.000000000000
  0.413570073285  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    7    4
        157.04219200
         44.83258310
         15.39507910
          2.27686900
       8601.31528e-4
          0.28984547
          0.09840000
 -0.018462224228  0.000000000000  0.000000000000  0.000000000000
 -0.096136900595  0.000000000000  0.000000000000  0.000000000000
 -0.184625076975  0.000000000000  0.000000000000  0.000000000000
  0.415404398957  0.000000000000  0.000000000000  0.000000000000
  0.513136421714  1.000000000000  0.000000000000  0.000000000000
  0.246663071330  0.000000000000  1.000000000000  0.000000000000
  0.015843481024  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    3    1
          4.92529500
      17663.24259e-4
      75636.09735e-5
  0.173785671590
  0.597338080410
  0.392939567570
********************************************************************************
* Core AIMP: CD-NP-(d10s2)1S-[AR,3D]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.7701800000e5  1.2635800000e5  3.8680700000e4  1.3165000000e4  4.8781200000e3  1.9306100000e3  7.7732800000e2  3.1243400000e2  1.4471700000e2 64.582500000000 24.743000000000
 13.111190000000  6.614630000000
  0.015030272750  0.013317484200  0.021970210350  0.035353642550  0.053847640000  0.071810758000  0.082432730000  0.136452173500  0.211679628000  0.108085387000  0.333492331000
  0.283363314000  0.033164428700
M2
  0
COREREP
 1.0
PROJOP
    2
   20    3
  1.9721653000e3  2.9934480000e2 58.598874000000
   12473864.00000000
    1867970.90000000
     425101.32000000
     120404.84000000
      39278.43300000
      14178.66800000
       5529.27730000
       2292.69230000
        999.35846000
        453.83659000
        211.36885000
         89.32984500
         44.56118900
         22.13869700
          9.72736900
          4.82671400
          1.74607600
          0.74746900
          0.11918200
          0.04327100
  0.000435620952 -0.000148299260 -0.000064873780
  0.001197163800 -0.000408442071 -0.000178747131
  0.003008480110 -0.001029332100 -0.000450510002
  0.007030936530 -0.002422925910 -0.001062277400
  0.015955016100 -0.005543793110 -0.002430036810
  0.035962304100 -0.012776355000 -0.005631923320
  0.079631720300 -0.029105641100 -0.012833226000
  0.165237691000 -0.065091156100 -0.029183034100
  0.287977971000 -0.127787140000 -0.057868192200
  0.345743481000 -0.201266470000 -0.096400567300
  0.207223131000 -0.130965290000 -0.063275737200
  0.031270286100  0.299356671000  0.193285151000
 -0.004243322720  0.586578701000  0.557556182000
  0.001985068110  0.274962671000  0.214202941000
 -0.000984754824  0.018975164000 -0.768509293000
  0.000444692552 -0.000171860820 -0.538964242000
 -0.000148457381 -0.000203144510 -0.038236942100
  0.000056698944  0.000005055220  0.003856667710
 -0.000012016251 -0.000010455628 -0.000890878543
  0.000005318278  0.000004594426  0.000382290071
   14    2
  2.6830858000e2 48.123356000000
      32480.17600000
       7692.21280000
       2497.55830000
        954.18975000
        403.99985000
        183.57781000
         87.46097400
         43.00286400
         21.11884700
         10.45821000
          5.24382700
          2.41111300
          1.08585100
          0.44677400
  0.000675145176 -0.000308730490
  0.002628598980 -0.001206983100
  0.010302467900 -0.004769251610
  0.035974197800 -0.016898048000
  0.106199959000 -0.051491328100
  0.241497778000 -0.122757290000
  0.373962868000 -0.202643340000
  0.313573758000 -0.136185240000
  0.100172789000  0.224815830000
  0.005434031670  0.550948161000
  0.001198463690  0.332362731000
 -0.000504875097  0.042699475100
  0.000129402929 -0.000039295030
 -0.000053963499  0.000514099571
   11    1
 31.687518000000
       1136.19170000
        342.52413000
        132.86917000
         57.92117000
         26.98679100
         12.90590200
          6.25996000
          2.92033900
          1.30995700
          0.55067000
          0.20850100
  0.001184299290
  0.009222664950
  0.044284112800
  0.141810939000
  0.299634208000
  0.398268178000
  0.277085528000
  0.068191339600
  0.002092450290
  0.000633883707
 -0.000155692749
Spectral Representation Operator
External primitive basis
    3
   20
      21853.98590000
       2756.32757000
        551.70807700
         50.66690160
         18.72571320
         10.23501780
          4.77412343
          2.30791002
       9284.96395e-4
       1208.52304e-4
       4370.44818e-5
   12473864.00000000
    1867970.90000000
     425101.32000000
     120404.84000000
      39278.43300000
       5529.27730000
        999.35846000
        211.36885000
         89.32984500
   14
       1291.79120000
        293.44901800
         89.79891540
         13.76174890
          8.16959841
          1.80674425
       6712.31599e-4
          0.09900000
      32480.17600000
       7692.21280000
       2497.55830000
        183.57781000
         43.00286400
          5.24382700
   10
        157.04219200
         44.83258310
         15.39507910
          2.27686900
       8601.31528e-4
          0.28984547
          0.09840000
       1136.19170000
        342.52413000
          6.25996000
    3
          4.92529500
      17663.24259e-4
      75636.09735e-5
Exchange
NoPair
End of Spectral Representation Operator

********************************************************************************
*         C.3.2.3. Third Series Transition Metal Elements (core [Kr,4d,4f])
********************************************************************************
*  - 2nd order Douglas-Kroll-Hess
*  - p polarization functions:
*    S. Huzinaga (Editor), J. Andzelm, M. Klobukowski, E. Radzio-Andzelm, Y. Sakai, H. Tatewaki.
*    "Gaussian Basis Sets for Molecular Calculations" (Elsevier, Amsterdam, 1984).
*  - f orthogonalization functions:
*    M. Casarrubios, L. Seijo. J. Chem. Phys. 110 (1999) 784-796. doi:10.1063/1.478046
*  - f polarization functions:
*    C. Wittborn, U. Wahlgren. Chem. Phys. 201 (1995) 357-362. doi:10.1016/0301-0104(95)00265-0
********************************************************************************

/Hf.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.12el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
HAFNIUM (13s,10p,9d,6f) -> [5s,4p,4d,2f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*HF-NP-(d2s2)3F-(A3/91/9/51)
********************************************************************************
    12.0   3
* s-type functions
   13    5
     610902.13700000
      51607.77090000
       7640.23017000
       1533.42998000
        139.08651300
         49.09458450
         32.11186430
         22.25512260
          4.57237430
       9810.40905e-4
       5267.28294e-4
       8136.70346e-5
       3186.04423e-5
 -0.000613048518  0.000126313986  0.000000000000  0.000000000000  0.000000000000
 -0.002885686559  0.000594564996  0.000000000000  0.000000000000  0.000000000000
 -0.011626384989  0.002396140485  0.000000000000  0.000000000000  0.000000000000
 -0.032351431810  0.006668632119  0.000000000000  0.000000000000  0.000000000000
  0.174762249787 -0.036272422902  0.000000000000  0.000000000000  0.000000000000
  0.115995687873 -0.024106264797  0.000000000000  0.000000000000  0.000000000000
 -0.229717564101  0.048443207170  0.000000000000  0.000000000000  0.000000000000
 -0.409535003312  0.087302129305  0.000000000000  0.000000000000  0.000000000000
  1.060097457878 -0.253783917135  0.000000000000  0.000000000000  0.000000000000
 -0.582689781813  0.204888510072  0.000000000000  0.000000000000  0.000000000000
 -0.721048172540  0.377449299937  1.000000000000  0.000000000000  0.000000000000
  0.007420292498 -0.762281598743  0.000000000000  1.000000000000  0.000000000000
  0.041513555348 -0.412590814184  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       3738.72801000
        813.84567100
        243.92737500
         37.64716910
         18.00410890
         13.20929040
          5.40171544
       9338.65175e-4
       3455.30059e-4
          0.05900000
 -0.004067901355  0.000000000000  0.000000000000  0.000000000000
 -0.021952665206  0.000000000000  0.000000000000  0.000000000000
 -0.057294459491  0.000000000000  0.000000000000  0.000000000000
  0.173654193427  0.000000000000  0.000000000000  0.000000000000
  0.174639320731  0.000000000000  0.000000000000  0.000000000000
 -0.189384187581  0.000000000000  0.000000000000  0.000000000000
 -0.447572631986  0.000000000000  0.000000000000  0.000000000000
  0.712556170086  1.000000000000  0.000000000000  0.000000000000
  0.416220039442  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        504.30842400
        145.60609900
         52.39760930
          9.88521499
          5.10563109
       9261.22638e-4
       3245.14203e-4
       1023.05172e-4
          0.03250000
  0.004463363946  0.000000000000  0.000000000000  0.000000000000
  0.025450589882  0.000000000000  0.000000000000  0.000000000000
  0.055039003339  0.000000000000  0.000000000000  0.000000000000
 -0.098368432325  0.000000000000  0.000000000000  0.000000000000
 -0.110463734994  0.000000000000  0.000000000000  0.000000000000
  0.318632623738  0.000000000000  0.000000000000  0.000000000000
  0.531076449503  1.000000000000  0.000000000000  0.000000000000
  0.358170904181  0.000000000000  1.000000000000  0.000000000000
  0.033661472139  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    6    2
         48.53704200
         15.26393600
          5.47946720
          1.94765400
          0.62553200
       2307.38969e-4
  0.108456240000  0.000000000000
  0.348345140000  0.000000000000
  0.471965000000  0.000000000000
  0.347568300000  0.000000000000
  0.124737680000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: HF-NP-(d2s2)3F-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.5588000000e5  1.2082400000e5  3.7293900000e4  1.2734500000e4  4.6625500000e3  1.7410900000e3  6.7593500000e2  3.0758400000e2  1.0350200000e2 55.034200000000 12.248600000000
  6.473890000000  2.709120000000  0.969200000000
  0.051443635917  0.045617997417  0.074230698750  0.114946990000  0.156631547500  0.200051250000  0.356452478333  0.417848529167  0.456898196667  0.936569250000  0.919808175000
  0.932452225000  0.297079315833  0.039969717417
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  4.8192184000e3  8.3472246000e2  1.9457034000e2 41.423211000000
   32424058.00000000
    4855383.40000000
    1104952.80000000
     312966.12000000
     102095.99000000
      36853.57500000
      14370.53300000
       5957.48480000
       2595.56120000
       1177.32810000
        548.24375000
        242.84439000
        124.11045000
         62.73210200
         28.11927900
         14.67275500
          6.23300530
          3.03522130
          1.11112000
          0.50476945
          0.10131345
        405.32187e-4
  0.001034893890  0.000388713701 -0.000183799921 -0.000089718231
  0.002517223790  0.000948062034 -0.000448541723 -0.000218955502
  0.005873827370  0.002221111010 -0.001051190110 -0.000513280994
  0.012289268900  0.004686159720 -0.002222246610 -0.001085147310
  0.024965075900  0.009631415440 -0.004569960430 -0.002233771820
  0.048976454800  0.019351787100 -0.009240562060 -0.004516067540
  0.094037799500  0.038380291100 -0.018344477100 -0.008994245370
  0.170974389000  0.074813066300 -0.036440314200 -0.017856885100
  0.273881829000  0.132539741000 -0.064944923400 -0.032140466300
  0.325381328000  0.193456381000 -0.100518881000 -0.049713447400
  0.211961159000  0.116143750000 -0.055806320400 -0.028521138200
  0.040398787800 -0.267696531000  0.193466971000  0.108432111000
 -0.003569732480 -0.561129742000  0.582932394000  0.334484033000
  0.001837916090 -0.316736891000  0.257297752000  0.174319611000
 -0.000994694815 -0.022991721100 -0.818759615000 -0.886101657000
  0.000553736247 -0.000215320171 -0.510060033000 -0.572125655000
 -0.000257520229  0.000881572123 -0.057058525400  0.935535268000
  0.000135186459 -0.000440925792  0.010558875100  0.574808925000
 -0.000053639057  0.000196428471 -0.004031084730  0.023079637200
  0.000022347334 -0.000089618291  0.001728312810 -0.000976994798
 -0.000005565800  0.000022078554 -0.000419047913  0.000174271771
  0.000002401820 -0.000009582285  0.000181566701 -0.000058582611
   18    3
  7.3540003000e2  1.6414789000e2 31.201116000000
      79151.99200000
      18743.64300000
       6086.29390000
       2326.89820000
        986.85016000
        449.85110000
        215.66171000
        107.02908000
         53.40996700
         27.51601100
         14.20651500
          6.97779270
          3.36274150
          1.36815600
          0.61190440
          0.24733601
        723.66747e-4
        289.51563e-4
  0.001435178700 -0.000728955387  0.000351593239
  0.004497196310 -0.002299858590  0.001110609900
  0.014386118000 -0.007431590070  0.003599801690
  0.043253778100 -0.022727180900  0.011038827000
  0.115509680000 -0.062664564700  0.030718975900
  0.248765161000 -0.141438699000  0.069962890800
  0.371135681000 -0.222448769000  0.112052300000
  0.302391741000 -0.125469809000  0.052497685900
  0.092766437200  0.291670549000 -0.216855280000
  0.003487166710  0.567764808000 -0.463309319000
  0.001173343300  0.263196389000 -0.005091115190
 -0.000653249932  0.026404668900  0.653997879000
  0.000232477141  0.000731981467  0.459350079000
 -0.000113123810  0.000082309569  0.050776718900
  0.000059173332 -0.000022465184 -0.003927256490
 -0.000022538368  0.000004002815  0.001345566500
  0.000008122364 -0.000000816318 -0.000458332049
 -0.000003178832  0.000000368541  0.000169720000
   14    2
  1.2682069000e2 17.493949000000
       3406.96200000
       1030.26910000
        402.02486000
        177.62742000
         84.48027800
         41.78793300
         21.18604500
         10.55846700
          5.11639820
          2.37284940
          0.90073781
          0.33261090
          0.11120664
        371.81332e-4
  0.001234275700  0.000605868173
  0.008235862120  0.004085592720
  0.038592476100  0.019252868100
  0.127441990000  0.065122571300
  0.286606431000  0.146637961000
  0.400517531000  0.193539031000
  0.281077061000  0.016684897100
  0.073211006200 -0.364730702000
  0.003965508610 -0.498818772000
  0.000768377632 -0.244636801000
 -0.000068528188 -0.027796869100
  0.000053657808  0.001833044410
 -0.000021140475 -0.000831012664
  0.000006732499  0.000258014451
    9    1
  2.275056300000
        267.05005000
         92.11611900
         38.55705200
         17.48554800
          8.11797820
          3.68952190
          1.58669700
          0.60507257
          0.23073897
  0.003333363790
  0.024739558900
  0.095135955800
  0.229078730000
  0.344987409000
  0.353847709000
  0.251425209000
  0.098676558800
  0.009155047780
Spectral Representation Operator
External primitive basis
    3
   21
     610902.13700000
      51607.77090000
       7640.23017000
       1533.42998000
        139.08651300
         49.09458450
         32.11186430
         22.25512260
          4.57237430
       9810.40905e-4
       5267.28294e-4
       8136.70346e-5
       3186.04423e-5
   32424058.00000000
    4855383.40000000
    1104952.80000000
     102095.99000000
      14370.53300000
       2595.56120000
        548.24375000
        242.84439000
   16
       3738.72801000
        813.84567100
        243.92737500
         37.64716910
         18.00410890
         13.20929040
          5.40171544
       9338.65175e-4
       3455.30059e-4
          0.05900000
      79151.99200000
      18743.64300000
       2326.89820000
        449.85110000
        107.02908000
         53.40996700
   12
        504.30842400
        145.60609900
         52.39760930
          9.88521499
          5.10563109
       9261.22638e-4
       3245.14203e-4
       1023.05172e-4
          0.03250000
       3406.96200000
       1030.26910000
         21.18604500
    7
         48.53704200
         15.26393600
          5.47946720
          1.94765400
          0.62553200
       2307.38969e-4
        267.05005000
Exchange
NoPair
End of Spectral Representation Operator

/Hf.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.12el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
HAFNIUM (13s,10p,9d,1f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*HF-NP-(d2s2)3F-(A3/91/9/51)
********************************************************************************
    12.0   3
* s-type functions
   13    5
     610902.13700000
      51607.77090000
       7640.23017000
       1533.42998000
        139.08651300
         49.09458450
         32.11186430
         22.25512260
          4.57237430
       9810.40905e-4
       5267.28294e-4
       8136.70346e-5
       3186.04423e-5
 -0.000613048518  0.000126313986  0.000000000000  0.000000000000  0.000000000000
 -0.002885686559  0.000594564996  0.000000000000  0.000000000000  0.000000000000
 -0.011626384989  0.002396140485  0.000000000000  0.000000000000  0.000000000000
 -0.032351431810  0.006668632119  0.000000000000  0.000000000000  0.000000000000
  0.174762249787 -0.036272422902  0.000000000000  0.000000000000  0.000000000000
  0.115995687873 -0.024106264797  0.000000000000  0.000000000000  0.000000000000
 -0.229717564101  0.048443207170  0.000000000000  0.000000000000  0.000000000000
 -0.409535003312  0.087302129305  0.000000000000  0.000000000000  0.000000000000
  1.060097457878 -0.253783917135  0.000000000000  0.000000000000  0.000000000000
 -0.582689781813  0.204888510072  0.000000000000  0.000000000000  0.000000000000
 -0.721048172540  0.377449299937  1.000000000000  0.000000000000  0.000000000000
  0.007420292498 -0.762281598743  0.000000000000  1.000000000000  0.000000000000
  0.041513555348 -0.412590814184  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       3738.72801000
        813.84567100
        243.92737500
         37.64716910
         18.00410890
         13.20929040
          5.40171544
       9338.65175e-4
       3455.30059e-4
          0.05900000
 -0.004067901355  0.000000000000  0.000000000000  0.000000000000
 -0.021952665206  0.000000000000  0.000000000000  0.000000000000
 -0.057294459491  0.000000000000  0.000000000000  0.000000000000
  0.173654193427  0.000000000000  0.000000000000  0.000000000000
  0.174639320731  0.000000000000  0.000000000000  0.000000000000
 -0.189384187581  0.000000000000  0.000000000000  0.000000000000
 -0.447572631986  0.000000000000  0.000000000000  0.000000000000
  0.712556170086  1.000000000000  0.000000000000  0.000000000000
  0.416220039442  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        504.30842400
        145.60609900
         52.39760930
          9.88521499
          5.10563109
       9261.22638e-4
       3245.14203e-4
       1023.05172e-4
          0.03250000
  0.004463363946  0.000000000000  0.000000000000  0.000000000000
  0.025450589882  0.000000000000  0.000000000000  0.000000000000
  0.055039003339  0.000000000000  0.000000000000  0.000000000000
 -0.098368432325  0.000000000000  0.000000000000  0.000000000000
 -0.110463734994  0.000000000000  0.000000000000  0.000000000000
  0.318632623738  0.000000000000  0.000000000000  0.000000000000
  0.531076449503  1.000000000000  0.000000000000  0.000000000000
  0.358170904181  0.000000000000  1.000000000000  0.000000000000
  0.033661472139  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    1    1
       2307.38969e-4
  1.000000000000
********************************************************************************
* Core AIMP: HF-NP-(d2s2)3F-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.5588000000e5  1.2082400000e5  3.7293900000e4  1.2734500000e4  4.6625500000e3  1.7410900000e3  6.7593500000e2  3.0758400000e2  1.0350200000e2 55.034200000000 12.248600000000
  6.473890000000  2.709120000000  0.969200000000
  0.051443635917  0.045617997417  0.074230698750  0.114946990000  0.156631547500  0.200051250000  0.356452478333  0.417848529167  0.456898196667  0.936569250000  0.919808175000
  0.932452225000  0.297079315833  0.039969717417
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  4.8192184000e3  8.3472246000e2  1.9457034000e2 41.423211000000
   32424058.00000000
    4855383.40000000
    1104952.80000000
     312966.12000000
     102095.99000000
      36853.57500000
      14370.53300000
       5957.48480000
       2595.56120000
       1177.32810000
        548.24375000
        242.84439000
        124.11045000
         62.73210200
         28.11927900
         14.67275500
          6.23300530
          3.03522130
          1.11112000
          0.50476945
          0.10131345
        405.32187e-4
  0.001034893890  0.000388713701 -0.000183799921 -0.000089718231
  0.002517223790  0.000948062034 -0.000448541723 -0.000218955502
  0.005873827370  0.002221111010 -0.001051190110 -0.000513280994
  0.012289268900  0.004686159720 -0.002222246610 -0.001085147310
  0.024965075900  0.009631415440 -0.004569960430 -0.002233771820
  0.048976454800  0.019351787100 -0.009240562060 -0.004516067540
  0.094037799500  0.038380291100 -0.018344477100 -0.008994245370
  0.170974389000  0.074813066300 -0.036440314200 -0.017856885100
  0.273881829000  0.132539741000 -0.064944923400 -0.032140466300
  0.325381328000  0.193456381000 -0.100518881000 -0.049713447400
  0.211961159000  0.116143750000 -0.055806320400 -0.028521138200
  0.040398787800 -0.267696531000  0.193466971000  0.108432111000
 -0.003569732480 -0.561129742000  0.582932394000  0.334484033000
  0.001837916090 -0.316736891000  0.257297752000  0.174319611000
 -0.000994694815 -0.022991721100 -0.818759615000 -0.886101657000
  0.000553736247 -0.000215320171 -0.510060033000 -0.572125655000
 -0.000257520229  0.000881572123 -0.057058525400  0.935535268000
  0.000135186459 -0.000440925792  0.010558875100  0.574808925000
 -0.000053639057  0.000196428471 -0.004031084730  0.023079637200
  0.000022347334 -0.000089618291  0.001728312810 -0.000976994798
 -0.000005565800  0.000022078554 -0.000419047913  0.000174271771
  0.000002401820 -0.000009582285  0.000181566701 -0.000058582611
   18    3
  7.3540003000e2  1.6414789000e2 31.201116000000
      79151.99200000
      18743.64300000
       6086.29390000
       2326.89820000
        986.85016000
        449.85110000
        215.66171000
        107.02908000
         53.40996700
         27.51601100
         14.20651500
          6.97779270
          3.36274150
          1.36815600
          0.61190440
          0.24733601
        723.66747e-4
        289.51563e-4
  0.001435178700 -0.000728955387  0.000351593239
  0.004497196310 -0.002299858590  0.001110609900
  0.014386118000 -0.007431590070  0.003599801690
  0.043253778100 -0.022727180900  0.011038827000
  0.115509680000 -0.062664564700  0.030718975900
  0.248765161000 -0.141438699000  0.069962890800
  0.371135681000 -0.222448769000  0.112052300000
  0.302391741000 -0.125469809000  0.052497685900
  0.092766437200  0.291670549000 -0.216855280000
  0.003487166710  0.567764808000 -0.463309319000
  0.001173343300  0.263196389000 -0.005091115190
 -0.000653249932  0.026404668900  0.653997879000
  0.000232477141  0.000731981467  0.459350079000
 -0.000113123810  0.000082309569  0.050776718900
  0.000059173332 -0.000022465184 -0.003927256490
 -0.000022538368  0.000004002815  0.001345566500
  0.000008122364 -0.000000816318 -0.000458332049
 -0.000003178832  0.000000368541  0.000169720000
   14    2
  1.2682069000e2 17.493949000000
       3406.96200000
       1030.26910000
        402.02486000
        177.62742000
         84.48027800
         41.78793300
         21.18604500
         10.55846700
          5.11639820
          2.37284940
          0.90073781
          0.33261090
          0.11120664
        371.81332e-4
  0.001234275700  0.000605868173
  0.008235862120  0.004085592720
  0.038592476100  0.019252868100
  0.127441990000  0.065122571300
  0.286606431000  0.146637961000
  0.400517531000  0.193539031000
  0.281077061000  0.016684897100
  0.073211006200 -0.364730702000
  0.003965508610 -0.498818772000
  0.000768377632 -0.244636801000
 -0.000068528188 -0.027796869100
  0.000053657808  0.001833044410
 -0.000021140475 -0.000831012664
  0.000006732499  0.000258014451
    9    1
  2.275056300000
        267.05005000
         92.11611900
         38.55705200
         17.48554800
          8.11797820
          3.68952190
          1.58669700
          0.60507257
          0.23073897
  0.003333363790
  0.024739558900
  0.095135955800
  0.229078730000
  0.344987409000
  0.353847709000
  0.251425209000
  0.098676558800
  0.009155047780
Spectral Representation Operator
External primitive basis
    3
   21
     610902.13700000
      51607.77090000
       7640.23017000
       1533.42998000
        139.08651300
         49.09458450
         32.11186430
         22.25512260
          4.57237430
       9810.40905e-4
       5267.28294e-4
       8136.70346e-5
       3186.04423e-5
   32424058.00000000
    4855383.40000000
    1104952.80000000
     102095.99000000
      14370.53300000
       2595.56120000
        548.24375000
        242.84439000
   16
       3738.72801000
        813.84567100
        243.92737500
         37.64716910
         18.00410890
         13.20929040
          5.40171544
       9338.65175e-4
       3455.30059e-4
          0.05900000
      79151.99200000
      18743.64300000
       2326.89820000
        449.85110000
        107.02908000
         53.40996700
   12
        504.30842400
        145.60609900
         52.39760930
          9.88521499
          5.10563109
       9261.22638e-4
       3245.14203e-4
       1023.05172e-4
          0.03250000
       3406.96200000
       1030.26910000
         21.18604500
    7
         48.53704200
         15.26393600
          5.47946720
          1.94765400
          0.62553200
       2307.38969e-4
        267.05005000
Exchange
NoPair
End of Spectral Representation Operator

/Ta.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.13el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
TANTALUM (13s,10p,9d,6f) -> [5s,4p,4d,2f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*TA-NP-(d3s2)4F-(A3/91/9/51)
********************************************************************************
    13.0   3
* s-type functions
   13    5
     651857.92500000
      54299.09310000
       7952.50583000
       1598.77903000
        143.40274900
         52.66914860
         35.77042690
         21.89275100
          4.77212755
          1.35782342
          0.64952754
       8640.15575e-5
       3356.30601e-5
 -0.000620280000  0.000135130000  0.000000000000  0.000000000000  0.000000000000
 -0.002954040000  0.000643530000  0.000000000000  0.000000000000  0.000000000000
 -0.011829390000  0.002577930000  0.000000000000  0.000000000000  0.000000000000
 -0.032593800000  0.007103510000  0.000000000000  0.000000000000  0.000000000000
  0.176943010000 -0.038838000000  0.000000000000  0.000000000000  0.000000000000
  0.139071100000 -0.030612250000  0.000000000000  0.000000000000  0.000000000000
 -0.274775240000  0.061229980000  0.000000000000  0.000000000000  0.000000000000
 -0.404639950000  0.091473860000  0.000000000000  0.000000000000  0.000000000000
  1.103382380000 -0.280355310000  0.000000000000  0.000000000000  0.000000000000
 -0.298752710000  0.104565270000  0.000000000000  0.000000000000  0.000000000000
 -1.015826280000  0.492646740000  1.000000000000  0.000000000000  0.000000000000
 -0.011828670000 -0.775083410000  0.000000000000  1.000000000000  0.000000000000
  0.044349060000 -0.391952060000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       3927.53204000
        850.59142200
        253.62947900
         38.94150640
         19.11630000
         13.89366700
          5.66786475
       9968.59886e-4
          0.37168307
          0.06500000
 -0.004150060000  0.000000000000  0.000000000000  0.000000000000
 -0.022414340000  0.000000000000  0.000000000000  0.000000000000
 -0.059013160000  0.000000000000  0.000000000000  0.000000000000
  0.178204730000  0.000000000000  0.000000000000  0.000000000000
  0.168345780000  0.000000000000  0.000000000000  0.000000000000
 -0.177958740000  0.000000000000  0.000000000000  0.000000000000
 -0.465509700000  0.000000000000  0.000000000000  0.000000000000
  0.723249230000  1.000000000000  0.000000000000  0.000000000000
  0.407804790000  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        526.01904900
        151.70124300
         54.59184710
         10.14293390
          5.18824861
          1.03564209
       3789.93416e-4
       1231.24579e-4
          0.03950000
  0.004895480000  0.000000000000  0.000000000000  0.000000000000
  0.028040590000  0.000000000000  0.000000000000  0.000000000000
  0.061073850000  0.000000000000  0.000000000000  0.000000000000
 -0.115111400000  0.000000000000  0.000000000000  0.000000000000
 -0.117807390000  0.000000000000  0.000000000000  0.000000000000
  0.329708200000  0.000000000000  0.000000000000  0.000000000000
  0.535659630000  1.000000000000  0.000000000000  0.000000000000
  0.333136400000  0.000000000000  1.000000000000  0.000000000000
  0.028500590000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    6    2
         53.46524200
         16.95393600
          6.17855720
          2.24551400
          0.74179200
          0.27080069
  0.101126390000  0.000000000000
  0.336910560000  0.000000000000
  0.472491420000  0.000000000000
  0.353353760000  0.000000000000
  0.122884120000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: TA-NP-(d3s2)4F-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  4.4107400000e6  1.7276900000e5  4.9075000000e4  1.5822900000e4  5.5699100000e3  2.0266400000e3  7.5812000000e2  3.3536900000e2  1.1276400000e2 58.090900000000 13.135500000000
  7.155600000000  3.117880000000  1.155420000000
  0.039268206077  0.038765531385  0.064687298000  0.102405130000  0.143670750000  0.182518837692  0.318901029231  0.407309140000  0.397545024615  0.899885261538  0.783355807692
  0.902740569231  0.297033730000  0.037298300000
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  4.9716831000e3  8.6493461000e2  2.0261744000e2 43.606141000000
   33528956.00000000
    5020849.50000000
    1142610.10000000
     323632.38000000
     105575.55000000
      38109.56600000
      14860.25200000
       6160.47000000
       2683.96750000
       1217.40610000
        566.96048000
        251.73110000
        128.65628000
         65.01866200
         29.15600500
         15.23384300
          6.49266500
          3.18265000
          1.19158500
          0.54357000
          0.11045300
          0.04349380
  0.001073303990  0.000404946690 -0.000191853678 -0.000093949439
  0.002599000390  0.000983257610 -0.000466113004 -0.000228262801
  0.006042325170  0.002295162000 -0.001088396890 -0.000533149702
  0.012587528900  0.004821738400 -0.002291091270 -0.001122372400
  0.025457707900  0.009867301800 -0.004691393640 -0.002300450510
  0.049681722800  0.019722319000 -0.009436618380 -0.004626981310
  0.094854700500  0.038900807000 -0.018632176800 -0.009164249130
  0.171473409000  0.075368957000 -0.036788411500 -0.018088139100
  0.273436359000  0.132825820000 -0.065213561200 -0.032373301100
  0.324251358000  0.192874560000 -0.100402469000 -0.049827873200
  0.211684349000  0.114921080000 -0.055003396300 -0.028149760100
  0.040716448800 -0.266906300000  0.193532468000  0.108811270000
 -0.003465871380 -0.560339300000  0.583239873000  0.336223461000
  0.001803092290 -0.317556150000  0.257291387000  0.174140971000
 -0.000979945035 -0.023016059000 -0.819534630000 -0.891578433000
  0.000549227727 -0.000273917590 -0.508731554000 -0.571398752000
 -0.000259324179  0.000934448140 -0.058140789300  0.934596083000
  0.000138570409 -0.000481183480  0.011194067900  0.576777712000
 -0.000055544832  0.000215289070 -0.004304360450  0.023947185100
  0.000022756094 -0.000096490931  0.001817726880 -0.000925819513
 -0.000005539310  0.000023267468 -0.000430676645  0.000172712401
  0.000002343324 -0.000009866100  0.000183291658 -0.000056706112
   18    3
  7.6071507000e2  1.7084264000e2 32.931725000000
      82480.16600000
      19531.51900000
       6342.17720000
       2424.84200000
       1028.48420000
        468.91951000
        224.87669000
        111.67349000
         55.84429600
         28.80614900
         14.90170200
          7.32641800
          3.54720600
          1.46014900
          0.65878200
          0.26719900
          0.07889500
          0.03106700
  0.001464412800 -0.000745878343  0.000361252241
  0.004545672600 -0.002331373210  0.001130534800
  0.014418449000 -0.007469526730  0.003633406410
  0.043052182000 -0.022686491100  0.011065173000
  0.114526740000 -0.062285500300  0.030661658100
  0.246653240000 -0.140549421000  0.069805883300
  0.369690930000 -0.221956391000  0.112273090000
  0.304494370000 -0.128993511000  0.054732005200
  0.095364050900  0.284223641000 -0.212815141000
  0.003949624100  0.567671772000 -0.465397742000
  0.001155027600  0.269619871000 -0.016310186100
 -0.000647373120  0.028100769100  0.650867913000
  0.000232980530  0.000625475073  0.466290452000
 -0.000114449180  0.000122494730  0.052701040200
  0.000059948191 -0.000048393151 -0.003968501620
 -0.000022479274  0.000011209413  0.001353769910
  0.000008013335 -0.000003748691 -0.000450685252
 -0.000003076975  0.000001478797  0.000163312491
   14    2
  1.3232679000e2 18.736591000000
       3517.99600000
       1063.91530000
        415.19613000
        183.49294000
         87.30557200
         43.21695700
         21.93114900
         10.94799100
          5.32371200
          2.49176900
          0.97267300
          0.37021800
          0.12741600
          0.04385210
  0.001250770700 -0.000618683340
  0.008289856310 -0.004143318100
  0.038726681000 -0.019470524000
  0.127730060000 -0.065769510000
  0.287068750000 -0.148033110000
  0.400551270000 -0.194802800000
  0.280148860000 -0.015134067000
  0.072867035100  0.367498690000
  0.003947235400  0.497941080000
  0.000765036411  0.240357090000
 -0.000085450250  0.027143324000
  0.000057189711 -0.001632804400
 -0.000023648232  0.000755270020
  0.000007457739 -0.000232941570
    9    1
  2.949163300000
        289.08664000
         99.86384700
         41.96309500
         19.11286900
          8.94009000
          4.10691400
          1.79388500
          0.69698300
          0.27080069
  0.003111666870
  0.023353004800
  0.091178118200
  0.223892998000
  0.344158107000
  0.357489057000
  0.251402018000
  0.093150885200
  0.007410352530
Spectral Representation Operator
External primitive basis
    3
   21
     651857.92500000
      54299.09310000
       7952.50583000
       1598.77903000
        143.40274900
         52.66914860
         35.77042690
         21.89275100
          4.77212755
          1.35782342
          0.64952754
       8640.15575e-5
       3356.30601e-5
   33528956.30000000
    5020849.55000000
    1142610.13000000
     105575.55400000
      14860.25180000
       2683.96751000
        566.96047600
        251.73110400
   16
       3927.53204000
        850.59142200
        253.62947900
         38.94150640
         19.11630000
         13.89366700
          5.66786475
       9968.59886e-4
          0.37168307
          0.06500000
      82480.16620000
      19531.51930000
       2424.84201000
        468.91950900
        111.67348900
         55.84429600
   12
        526.01904900
        151.70124300
         54.59184710
         10.14293390
          5.18824861
          1.03564209
       3789.93416e-4
       1231.24579e-4
          0.03950000
       3517.99600000
       1063.91529000
         21.93114900
    7
         53.46524200
         16.95393600
          6.17855720
          2.24551400
          0.74179200
          0.27080069
        289.08664200
Exchange
NoPair
End of Spectral Representation Operator

/Ta.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.13el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
TANTALUM (13s,10p,9d,1f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*TA-NP-(d3s2)4F-(A3/91/9/51)
********************************************************************************
    13.0   3
* s-type functions
   13    5
     651857.92500000
      54299.09310000
       7952.50583000
       1598.77903000
        143.40274900
         52.66914860
         35.77042690
         21.89275100
          4.77212755
          1.35782342
          0.64952754
       8640.15575e-5
       3356.30601e-5
 -0.000620280000  0.000135130000  0.000000000000  0.000000000000  0.000000000000
 -0.002954040000  0.000643530000  0.000000000000  0.000000000000  0.000000000000
 -0.011829390000  0.002577930000  0.000000000000  0.000000000000  0.000000000000
 -0.032593800000  0.007103510000  0.000000000000  0.000000000000  0.000000000000
  0.176943010000 -0.038838000000  0.000000000000  0.000000000000  0.000000000000
  0.139071100000 -0.030612250000  0.000000000000  0.000000000000  0.000000000000
 -0.274775240000  0.061229980000  0.000000000000  0.000000000000  0.000000000000
 -0.404639950000  0.091473860000  0.000000000000  0.000000000000  0.000000000000
  1.103382380000 -0.280355310000  0.000000000000  0.000000000000  0.000000000000
 -0.298752710000  0.104565270000  0.000000000000  0.000000000000  0.000000000000
 -1.015826280000  0.492646740000  1.000000000000  0.000000000000  0.000000000000
 -0.011828670000 -0.775083410000  0.000000000000  1.000000000000  0.000000000000
  0.044349060000 -0.391952060000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       3927.53204000
        850.59142200
        253.62947900
         38.94150640
         19.11630000
         13.89366700
          5.66786475
       9968.59886e-4
          0.37168307
          0.06500000
 -0.004150060000  0.000000000000  0.000000000000  0.000000000000
 -0.022414340000  0.000000000000  0.000000000000  0.000000000000
 -0.059013160000  0.000000000000  0.000000000000  0.000000000000
  0.178204730000  0.000000000000  0.000000000000  0.000000000000
  0.168345780000  0.000000000000  0.000000000000  0.000000000000
 -0.177958740000  0.000000000000  0.000000000000  0.000000000000
 -0.465509700000  0.000000000000  0.000000000000  0.000000000000
  0.723249230000  1.000000000000  0.000000000000  0.000000000000
  0.407804790000  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        526.01904900
        151.70124300
         54.59184710
         10.14293390
          5.18824861
          1.03564209
       3789.93416e-4
       1231.24579e-4
          0.03950000
  0.004895480000  0.000000000000  0.000000000000  0.000000000000
  0.028040590000  0.000000000000  0.000000000000  0.000000000000
  0.061073850000  0.000000000000  0.000000000000  0.000000000000
 -0.115111400000  0.000000000000  0.000000000000  0.000000000000
 -0.117807390000  0.000000000000  0.000000000000  0.000000000000
  0.329708200000  0.000000000000  0.000000000000  0.000000000000
  0.535659630000  1.000000000000  0.000000000000  0.000000000000
  0.333136400000  0.000000000000  1.000000000000  0.000000000000
  0.028500590000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    1    1
          0.27080069
  1.000000000000
********************************************************************************
* Core AIMP: TA-NP-(d3s2)4F-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  4.4107400000e6  1.7276900000e5  4.9075000000e4  1.5822900000e4  5.5699100000e3  2.0266400000e3  7.5812000000e2  3.3536900000e2  1.1276400000e2 58.090900000000 13.135500000000
  7.155600000000  3.117880000000  1.155420000000
  0.039268206077  0.038765531385  0.064687298000  0.102405130000  0.143670750000  0.182518837692  0.318901029231  0.407309140000  0.397545024615  0.899885261538  0.783355807692
  0.902740569231  0.297033730000  0.037298300000
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  4.9716831000e3  8.6493461000e2  2.0261744000e2 43.606141000000
   33528956.00000000
    5020849.50000000
    1142610.10000000
     323632.38000000
     105575.55000000
      38109.56600000
      14860.25200000
       6160.47000000
       2683.96750000
       1217.40610000
        566.96048000
        251.73110000
        128.65628000
         65.01866200
         29.15600500
         15.23384300
          6.49266500
          3.18265000
          1.19158500
          0.54357000
          0.11045300
          0.04349380
  0.001073303990  0.000404946690 -0.000191853678 -0.000093949439
  0.002599000390  0.000983257610 -0.000466113004 -0.000228262801
  0.006042325170  0.002295162000 -0.001088396890 -0.000533149702
  0.012587528900  0.004821738400 -0.002291091270 -0.001122372400
  0.025457707900  0.009867301800 -0.004691393640 -0.002300450510
  0.049681722800  0.019722319000 -0.009436618380 -0.004626981310
  0.094854700500  0.038900807000 -0.018632176800 -0.009164249130
  0.171473409000  0.075368957000 -0.036788411500 -0.018088139100
  0.273436359000  0.132825820000 -0.065213561200 -0.032373301100
  0.324251358000  0.192874560000 -0.100402469000 -0.049827873200
  0.211684349000  0.114921080000 -0.055003396300 -0.028149760100
  0.040716448800 -0.266906300000  0.193532468000  0.108811270000
 -0.003465871380 -0.560339300000  0.583239873000  0.336223461000
  0.001803092290 -0.317556150000  0.257291387000  0.174140971000
 -0.000979945035 -0.023016059000 -0.819534630000 -0.891578433000
  0.000549227727 -0.000273917590 -0.508731554000 -0.571398752000
 -0.000259324179  0.000934448140 -0.058140789300  0.934596083000
  0.000138570409 -0.000481183480  0.011194067900  0.576777712000
 -0.000055544832  0.000215289070 -0.004304360450  0.023947185100
  0.000022756094 -0.000096490931  0.001817726880 -0.000925819513
 -0.000005539310  0.000023267468 -0.000430676645  0.000172712401
  0.000002343324 -0.000009866100  0.000183291658 -0.000056706112
   18    3
  7.6071507000e2  1.7084264000e2 32.931725000000
      82480.16600000
      19531.51900000
       6342.17720000
       2424.84200000
       1028.48420000
        468.91951000
        224.87669000
        111.67349000
         55.84429600
         28.80614900
         14.90170200
          7.32641800
          3.54720600
          1.46014900
          0.65878200
          0.26719900
          0.07889500
          0.03106700
  0.001464412800 -0.000745878343  0.000361252241
  0.004545672600 -0.002331373210  0.001130534800
  0.014418449000 -0.007469526730  0.003633406410
  0.043052182000 -0.022686491100  0.011065173000
  0.114526740000 -0.062285500300  0.030661658100
  0.246653240000 -0.140549421000  0.069805883300
  0.369690930000 -0.221956391000  0.112273090000
  0.304494370000 -0.128993511000  0.054732005200
  0.095364050900  0.284223641000 -0.212815141000
  0.003949624100  0.567671772000 -0.465397742000
  0.001155027600  0.269619871000 -0.016310186100
 -0.000647373120  0.028100769100  0.650867913000
  0.000232980530  0.000625475073  0.466290452000
 -0.000114449180  0.000122494730  0.052701040200
  0.000059948191 -0.000048393151 -0.003968501620
 -0.000022479274  0.000011209413  0.001353769910
  0.000008013335 -0.000003748691 -0.000450685252
 -0.000003076975  0.000001478797  0.000163312491
   14    2
  1.3232679000e2 18.736591000000
       3517.99600000
       1063.91530000
        415.19613000
        183.49294000
         87.30557200
         43.21695700
         21.93114900
         10.94799100
          5.32371200
          2.49176900
          0.97267300
          0.37021800
          0.12741600
          0.04385210
  0.001250770700 -0.000618683340
  0.008289856310 -0.004143318100
  0.038726681000 -0.019470524000
  0.127730060000 -0.065769510000
  0.287068750000 -0.148033110000
  0.400551270000 -0.194802800000
  0.280148860000 -0.015134067000
  0.072867035100  0.367498690000
  0.003947235400  0.497941080000
  0.000765036411  0.240357090000
 -0.000085450250  0.027143324000
  0.000057189711 -0.001632804400
 -0.000023648232  0.000755270020
  0.000007457739 -0.000232941570
    9    1
  2.949163300000
        289.08664000
         99.86384700
         41.96309500
         19.11286900
          8.94009000
          4.10691400
          1.79388500
          0.69698300
          0.27080069
  0.003111666870
  0.023353004800
  0.091178118200
  0.223892998000
  0.344158107000
  0.357489057000
  0.251402018000
  0.093150885200
  0.007410352530
Spectral Representation Operator
External primitive basis
    3
   21
     651857.92500000
      54299.09310000
       7952.50583000
       1598.77903000
        143.40274900
         52.66914860
         35.77042690
         21.89275100
          4.77212755
          1.35782342
          0.64952754
       8640.15575e-5
       3356.30601e-5
   33528956.30000000
    5020849.55000000
    1142610.13000000
     105575.55400000
      14860.25180000
       2683.96751000
        566.96047600
        251.73110400
   16
       3927.53204000
        850.59142200
        253.62947900
         38.94150640
         19.11630000
         13.89366700
          5.66786475
       9968.59886e-4
          0.37168307
          0.06500000
      82480.16620000
      19531.51930000
       2424.84201000
        468.91950900
        111.67348900
         55.84429600
   12
        526.01904900
        151.70124300
         54.59184710
         10.14293390
          5.18824861
          1.03564209
       3789.93416e-4
       1231.24579e-4
          0.03950000
       3517.99600000
       1063.91529000
         21.93114900
    7
         53.46524200
         16.95393600
          6.17855720
          2.24551400
          0.74179200
          0.27080069
        289.08664200
Exchange
NoPair
End of Spectral Representation Operator

/W.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.14el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
TUNGSTEN (13s,10p,9d,6f) -> [5s,4p,4d,2f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*W-NP-(d4s2)5D-(A3/91/9/51)
********************************************************************************
    14.0   3
* s-type functions
   13    5
     679966.96600000
      57095.38250000
       8332.63645000
       1650.71419000
        149.08843300
         55.40877920
         35.49844660
         21.98907770
          5.04955044
          1.04482229
          0.59687334
       9824.48711e-5
       3746.28949e-5
 -0.000654784894  0.000150306471  0.000000000000  0.000000000000  0.000000000000
 -0.003042775302  0.000698473256  0.000000000000  0.000000000000  0.000000000000
 -0.012162617808  0.002792624149  0.000000000000  0.000000000000  0.000000000000
 -0.033291116152  0.007645704527  0.000000000000  0.000000000000  0.000000000000
  0.179984964250 -0.041648268820  0.000000000000  0.000000000000  0.000000000000
  0.129325823320 -0.029816937503  0.000000000000  0.000000000000  0.000000000000
 -0.308289350122  0.072158295203  0.000000000000  0.000000000000  0.000000000000
 -0.376203026448  0.090042179409  0.000000000000  0.000000000000  0.000000000000
  1.107565425684 -0.297109331932  0.000000000000  0.000000000000  0.000000000000
 -0.675145536654  0.295063341595  0.000000000000  0.000000000000  0.000000000000
 -0.630294117789  0.327881733451  1.000000000000  0.000000000000  0.000000000000
 -0.007078974719 -0.746022503765  0.000000000000  1.000000000000  0.000000000000
  0.038709943449 -0.433906128193  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       4040.96631000
        876.24096700
        261.96888600
         39.97278200
         19.62336510
         13.97294910
          5.91243020
          1.06369417
       3989.44668e-4
          0.06900000
 -0.004324022745  0.000000000000  0.000000000000  0.000000000000
 -0.023098984365  0.000000000000  0.000000000000  0.000000000000
 -0.060367408021  0.000000000000  0.000000000000  0.000000000000
  0.188504752949  0.000000000000  0.000000000000  0.000000000000
  0.151239109984  0.000000000000  0.000000000000  0.000000000000
 -0.167824968375  0.000000000000  0.000000000000  0.000000000000
 -0.476806653703  0.000000000000  0.000000000000  0.000000000000
  0.731928549010  1.000000000000  0.000000000000  0.000000000000
  0.401955720764  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        544.78805100
        157.30636400
         56.66828410
         10.58872470
          5.46325839
          1.11766062
          0.41887444
       1392.23001e-4
          0.04630000
  0.005266361964  0.000000000000  0.000000000000  0.000000000000
  0.030128994159  0.000000000000  0.000000000000  0.000000000000
  0.065792225243  0.000000000000  0.000000000000  0.000000000000
 -0.123176321292  0.000000000000  0.000000000000  0.000000000000
 -0.126741228478  0.000000000000  0.000000000000  0.000000000000
  0.348611197699  0.000000000000  0.000000000000  0.000000000000
  0.535158658074  1.000000000000  0.000000000000  0.000000000000
  0.308699098064  0.000000000000  1.000000000000  0.000000000000
  0.024253699242  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    6    2
         58.29124200
         18.61193600
          6.86612720
          2.54062400
          0.85799500
       3111.66978e-4
  0.095422363000  0.000000000000
  0.327623580000  0.000000000000
  0.472872890000  0.000000000000
  0.357926370000  0.000000000000
  0.121119030000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: W-NP-(d4s2)5D-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.5712000000e5  1.2087100000e5  3.7273700000e4  1.2819900000e4  4.7448000000e3  1.7814400000e3  7.0108400000e2  3.2275600000e2  1.0997700000e2 59.244600000000 13.409300000000
  7.328880000000  3.299760000000  1.281500000000
  0.045971933071  0.040879088000  0.066136459500  0.100457871429  0.135138055000  0.174385713571  0.310857947857  0.349913622143  0.393567195000  0.799785100000  0.770999150000
  0.811209507143  0.256917817857  0.029494826571
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  5.1271920000e3  8.9589237000e2  2.1090178000e2 45.871354000000
   34649720.00000000
    5188661.00000000
    1180797.50000000
     334448.33000000
     109103.91000000
      39383.16800000
      15356.84100000
       6366.30640000
       2773.61980000
       1258.05450000
        585.95113000
        260.75427000
        133.26366000
         67.33580100
         30.20985100
         15.80463800
          6.75665650
          3.33465210
          1.27500050
          0.58234513
          0.11858184
        460.63197e-4
  0.001113541300  0.000422026701 -0.000200329628 -0.000098422003
  0.002684289810  0.001020125000 -0.000484519835 -0.000238056850
  0.006217463820  0.002372462910 -0.001127229690 -0.000553984320
  0.012896578000  0.004962795110 -0.002362681670 -0.001161264900
  0.025967401100  0.010112177000 -0.004817319250 -0.002369935500
  0.050412200100  0.020106698100 -0.009639543290 -0.004742304200
  0.095708771300  0.039442050100 -0.018929913800 -0.009340989000
  0.172022740000  0.075953784200 -0.037149905600 -0.018328636000
  0.273035911000  0.133139600000 -0.065493066300 -0.032615723000
  0.323095681000  0.192284881000 -0.100274939000 -0.049939452000
  0.211305981000  0.113558390000 -0.054109166400 -0.027732941000
  0.040991656100 -0.266449491000  0.193854628000  0.109353740000
 -0.003362355610 -0.559538912000  0.583604633000  0.338019130000
  0.001768764500 -0.318064651000  0.256706317000  0.173635490000
 -0.000965631433 -0.022978817100 -0.820536991000 -0.897619690000
  0.000544806691 -0.000344394741 -0.507065474000 -0.570012960000
 -0.000261032981  0.000992831743 -0.059154071300  0.934650400000
  0.000141800050 -0.000524760032  0.011839246900  0.577734710000
 -0.000057168792  0.000234653101 -0.004561203750  0.024786444000
  0.000022930617 -0.000102816840  0.001888352080 -0.000877756350
 -0.000005426409  0.000024216160 -0.000437094015  0.000177004750
  0.000002253297 -0.000010195251  0.000183315408 -0.000057907443
   18    3
  7.8653739000e2  1.7771370000e2 34.723680000000
      85893.10500000
      20339.47700000
       6604.59100000
       2525.29130000
       1071.18720000
        488.47984000
        234.33183000
        116.44139000
         58.34650200
         30.13146500
         15.61531300
          7.68510950
          3.73851800
          1.55620150
          0.70691381
          0.28767647
        847.01313e-4
        329.02283e-4
  0.001494637500 -0.000763348275 -0.000371292820
  0.004596704890 -0.002364213810 -0.001151381800
  0.014458787000 -0.007511329750 -0.003669520300
  0.042875028900 -0.022656959100 -0.011098310000
  0.113601610000 -0.061932672400 -0.030619586000
  0.244618749000 -0.139692651000 -0.069671093100
  0.368235529000 -0.221437341000 -0.112490000000
  0.306469019000 -0.132329851000 -0.056885066100
  0.097929370800  0.276970682000  0.208910850000
  0.004430999390  0.567440793000  0.467427271000
  0.001133169200  0.275876252000  0.027158525000
 -0.000639970279  0.029795385200 -0.647913011000
  0.000232465209  0.000516012093 -0.472813761000
 -0.000114877140  0.000162623421 -0.054514452100
  0.000060161724 -0.000074654753  0.003948878400
 -0.000022110609  0.000018154058 -0.001349505500
  0.000007750066 -0.000006482246  0.000436333430
 -0.000002938353  0.000002499787 -0.000156243810
   14    2
  1.3797449000e2 20.025853000000
       3623.05700000
       1095.75000000
        427.65354000
        189.03491000
         89.97066500
         44.56261700
         22.63039300
         11.31189300
          5.51723500
          2.60352060
          1.04409990
          0.40629058
          0.14261023
        500.56973e-4
  0.001272536890 -0.000634364106
  0.008378784760 -0.004219806870
  0.039011481800 -0.019769673900
  0.128435099000 -0.066649885600
  0.288152528000 -0.149772709000
  0.400755368000 -0.196046219000
  0.278471889000 -0.012295983900
  0.071961424600  0.371928388000
  0.003854943380  0.497009717000
  0.000755364956  0.234226749000
 -0.000101179819  0.026006068800
  0.000059833889 -0.001342499190
 -0.000025547860  0.000627317506
  0.000007969848 -0.000194787499
    9    1
  3.662855800000
        310.88315000
        107.53531000
         45.33482600
         20.72549000
          9.75544590
          4.52209010
          2.00094530
          0.78906788
          0.31116698
  0.002936641610
  0.022235178100
  0.087972677400
  0.219592021000
  0.343515651000
  0.360594922000
  0.251034081000
  0.088558071400
  0.006224540930
Spectral Representation Operator
External primitive basis
    3
   21
     679966.96600000
      57095.38250000
       8332.63645000
       1650.71419000
        149.08843300
         55.40877920
         35.49844660
         21.98907770
          5.04955044
          1.04482229
          0.59687334
       9824.48711e-5
       3746.28949e-5
   34649720.00000000
    5188661.00000000
    1180797.50000000
     109103.91000000
      15356.84100000
       2773.61980000
        585.95113000
        260.75427000
   16
       4040.96631000
        876.24096700
        261.96888600
         39.97278200
         19.62336510
         13.97294910
          5.91243020
          1.06369417
       3989.44668e-4
          0.06900000
      85893.10500000
      20339.47700000
       2525.29130000
        488.47984000
        116.44139000
         58.34650200
   12
        544.78805100
        157.30636400
         56.66828410
         10.58872470
          5.46325839
          1.11766062
          0.41887444
       1392.23001e-4
          0.04630000
       3623.05700000
       1095.75000000
         22.63039300
    7
         58.29124200
         18.61193600
          6.86612720
          2.54062400
          0.85799500
       3111.66978e-4
        310.88315000
Exchange
NoPair
End of Spectral Representation Operator

/W.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.14el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
TUNGSTEN (13s,10p,9d,1f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*W-NP-(d4s2)5D-(A3/91/9/51)
********************************************************************************
    14.0   3
* s-type functions
   13    5
     679966.96600000
      57095.38250000
       8332.63645000
       1650.71419000
        149.08843300
         55.40877920
         35.49844660
         21.98907770
          5.04955044
          1.04482229
          0.59687334
       9824.48711e-5
       3746.28949e-5
 -0.000654784894  0.000150306471  0.000000000000  0.000000000000  0.000000000000
 -0.003042775302  0.000698473256  0.000000000000  0.000000000000  0.000000000000
 -0.012162617808  0.002792624149  0.000000000000  0.000000000000  0.000000000000
 -0.033291116152  0.007645704527  0.000000000000  0.000000000000  0.000000000000
  0.179984964250 -0.041648268820  0.000000000000  0.000000000000  0.000000000000
  0.129325823320 -0.029816937503  0.000000000000  0.000000000000  0.000000000000
 -0.308289350122  0.072158295203  0.000000000000  0.000000000000  0.000000000000
 -0.376203026448  0.090042179409  0.000000000000  0.000000000000  0.000000000000
  1.107565425684 -0.297109331932  0.000000000000  0.000000000000  0.000000000000
 -0.675145536654  0.295063341595  0.000000000000  0.000000000000  0.000000000000
 -0.630294117789  0.327881733451  1.000000000000  0.000000000000  0.000000000000
 -0.007078974719 -0.746022503765  0.000000000000  1.000000000000  0.000000000000
  0.038709943449 -0.433906128193  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       4040.96631000
        876.24096700
        261.96888600
         39.97278200
         19.62336510
         13.97294910
          5.91243020
          1.06369417
       3989.44668e-4
          0.06900000
 -0.004324022745  0.000000000000  0.000000000000  0.000000000000
 -0.023098984365  0.000000000000  0.000000000000  0.000000000000
 -0.060367408021  0.000000000000  0.000000000000  0.000000000000
  0.188504752949  0.000000000000  0.000000000000  0.000000000000
  0.151239109984  0.000000000000  0.000000000000  0.000000000000
 -0.167824968375  0.000000000000  0.000000000000  0.000000000000
 -0.476806653703  0.000000000000  0.000000000000  0.000000000000
  0.731928549010  1.000000000000  0.000000000000  0.000000000000
  0.401955720764  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        544.78805100
        157.30636400
         56.66828410
         10.58872470
          5.46325839
          1.11766062
          0.41887444
       1392.23001e-4
          0.04630000
  0.005266361964  0.000000000000  0.000000000000  0.000000000000
  0.030128994159  0.000000000000  0.000000000000  0.000000000000
  0.065792225243  0.000000000000  0.000000000000  0.000000000000
 -0.123176321292  0.000000000000  0.000000000000  0.000000000000
 -0.126741228478  0.000000000000  0.000000000000  0.000000000000
  0.348611197699  0.000000000000  0.000000000000  0.000000000000
  0.535158658074  1.000000000000  0.000000000000  0.000000000000
  0.308699098064  0.000000000000  1.000000000000  0.000000000000
  0.024253699242  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    1    1
       3111.66978e-4
  1.000000000000
********************************************************************************
* Core AIMP: W-NP-(d4s2)5D-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.5712000000e5  1.2087100000e5  3.7273700000e4  1.2819900000e4  4.7448000000e3  1.7814400000e3  7.0108400000e2  3.2275600000e2  1.0997700000e2 59.244600000000 13.409300000000
  7.328880000000  3.299760000000  1.281500000000
  0.045971933071  0.040879088000  0.066136459500  0.100457871429  0.135138055000  0.174385713571  0.310857947857  0.349913622143  0.393567195000  0.799785100000  0.770999150000
  0.811209507143  0.256917817857  0.029494826571
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  5.1271920000e3  8.9589237000e2  2.1090178000e2 45.871354000000
   34649720.00000000
    5188661.00000000
    1180797.50000000
     334448.33000000
     109103.91000000
      39383.16800000
      15356.84100000
       6366.30640000
       2773.61980000
       1258.05450000
        585.95113000
        260.75427000
        133.26366000
         67.33580100
         30.20985100
         15.80463800
          6.75665650
          3.33465210
          1.27500050
          0.58234513
          0.11858184
        460.63197e-4
  0.001113541300  0.000422026701 -0.000200329628 -0.000098422003
  0.002684289810  0.001020125000 -0.000484519835 -0.000238056850
  0.006217463820  0.002372462910 -0.001127229690 -0.000553984320
  0.012896578000  0.004962795110 -0.002362681670 -0.001161264900
  0.025967401100  0.010112177000 -0.004817319250 -0.002369935500
  0.050412200100  0.020106698100 -0.009639543290 -0.004742304200
  0.095708771300  0.039442050100 -0.018929913800 -0.009340989000
  0.172022740000  0.075953784200 -0.037149905600 -0.018328636000
  0.273035911000  0.133139600000 -0.065493066300 -0.032615723000
  0.323095681000  0.192284881000 -0.100274939000 -0.049939452000
  0.211305981000  0.113558390000 -0.054109166400 -0.027732941000
  0.040991656100 -0.266449491000  0.193854628000  0.109353740000
 -0.003362355610 -0.559538912000  0.583604633000  0.338019130000
  0.001768764500 -0.318064651000  0.256706317000  0.173635490000
 -0.000965631433 -0.022978817100 -0.820536991000 -0.897619690000
  0.000544806691 -0.000344394741 -0.507065474000 -0.570012960000
 -0.000261032981  0.000992831743 -0.059154071300  0.934650400000
  0.000141800050 -0.000524760032  0.011839246900  0.577734710000
 -0.000057168792  0.000234653101 -0.004561203750  0.024786444000
  0.000022930617 -0.000102816840  0.001888352080 -0.000877756350
 -0.000005426409  0.000024216160 -0.000437094015  0.000177004750
  0.000002253297 -0.000010195251  0.000183315408 -0.000057907443
   18    3
  7.8653739000e2  1.7771370000e2 34.723680000000
      85893.10500000
      20339.47700000
       6604.59100000
       2525.29130000
       1071.18720000
        488.47984000
        234.33183000
        116.44139000
         58.34650200
         30.13146500
         15.61531300
          7.68510950
          3.73851800
          1.55620150
          0.70691381
          0.28767647
        847.01313e-4
        329.02283e-4
  0.001494637500 -0.000763348275 -0.000371292820
  0.004596704890 -0.002364213810 -0.001151381800
  0.014458787000 -0.007511329750 -0.003669520300
  0.042875028900 -0.022656959100 -0.011098310000
  0.113601610000 -0.061932672400 -0.030619586000
  0.244618749000 -0.139692651000 -0.069671093100
  0.368235529000 -0.221437341000 -0.112490000000
  0.306469019000 -0.132329851000 -0.056885066100
  0.097929370800  0.276970682000  0.208910850000
  0.004430999390  0.567440793000  0.467427271000
  0.001133169200  0.275876252000  0.027158525000
 -0.000639970279  0.029795385200 -0.647913011000
  0.000232465209  0.000516012093 -0.472813761000
 -0.000114877140  0.000162623421 -0.054514452100
  0.000060161724 -0.000074654753  0.003948878400
 -0.000022110609  0.000018154058 -0.001349505500
  0.000007750066 -0.000006482246  0.000436333430
 -0.000002938353  0.000002499787 -0.000156243810
   14    2
  1.3797449000e2 20.025853000000
       3623.05700000
       1095.75000000
        427.65354000
        189.03491000
         89.97066500
         44.56261700
         22.63039300
         11.31189300
          5.51723500
          2.60352060
          1.04409990
          0.40629058
          0.14261023
        500.56973e-4
  0.001272536890 -0.000634364106
  0.008378784760 -0.004219806870
  0.039011481800 -0.019769673900
  0.128435099000 -0.066649885600
  0.288152528000 -0.149772709000
  0.400755368000 -0.196046219000
  0.278471889000 -0.012295983900
  0.071961424600  0.371928388000
  0.003854943380  0.497009717000
  0.000755364956  0.234226749000
 -0.000101179819  0.026006068800
  0.000059833889 -0.001342499190
 -0.000025547860  0.000627317506
  0.000007969848 -0.000194787499
    9    1
  3.662855800000
        310.88315000
        107.53531000
         45.33482600
         20.72549000
          9.75544590
          4.52209010
          2.00094530
          0.78906788
          0.31116698
  0.002936641610
  0.022235178100
  0.087972677400
  0.219592021000
  0.343515651000
  0.360594922000
  0.251034081000
  0.088558071400
  0.006224540930
Spectral Representation Operator
External primitive basis
    3
   21
     679966.96600000
      57095.38250000
       8332.63645000
       1650.71419000
        149.08843300
         55.40877920
         35.49844660
         21.98907770
          5.04955044
          1.04482229
          0.59687334
       9824.48711e-5
       3746.28949e-5
   34649720.00000000
    5188661.00000000
    1180797.50000000
     109103.91000000
      15356.84100000
       2773.61980000
        585.95113000
        260.75427000
   16
       4040.96631000
        876.24096700
        261.96888600
         39.97278200
         19.62336510
         13.97294910
          5.91243020
          1.06369417
       3989.44668e-4
          0.06900000
      85893.10500000
      20339.47700000
       2525.29130000
        488.47984000
        116.44139000
         58.34650200
   12
        544.78805100
        157.30636400
         56.66828410
         10.58872470
          5.46325839
          1.11766062
          0.41887444
       1392.23001e-4
          0.04630000
       3623.05700000
       1095.75000000
         22.63039300
    7
         58.29124200
         18.61193600
          6.86612720
          2.54062400
          0.85799500
       3111.66978e-4
        310.88315000
Exchange
NoPair
End of Spectral Representation Operator

/Re.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.15el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
RHENIUM (13s,10p,9d,6f) -> [5s,4p,4d,2f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*RE-NP-(d5s2)6S-(A3/91/9/51)
********************************************************************************
    15.0   3
* s-type functions
   13    5
     711410.56700000
      59280.68730000
       8622.05996000
       1713.65708000
        153.43682300
         57.23441010
         34.85998880
         22.83522950
          5.27231447
          1.09203758
       6231.35828e-4
       1063.88272e-4
       4004.38894e-5
 -0.000670154851  0.000201542830  0.000000000000  0.000000000000  0.000000000000
 -0.003103732302  0.000933418465  0.000000000000  0.000000000000  0.000000000000
 -0.012258499143  0.003687396797  0.000000000000  0.000000000000  0.000000000000
 -0.033081376241  0.009952470853  0.000000000000  0.000000000000  0.000000000000
  0.182997284031 -0.055380828912  0.000000000000  0.000000000000  0.000000000000
  0.104825874580 -0.031766782202  0.000000000000  0.000000000000  0.000000000000
 -0.307544477047  0.094569679958  0.000000000000  0.000000000000  0.000000000000
 -0.355223487869  0.110092852179  0.000000000000  0.000000000000  0.000000000000
  1.104901839540 -0.377140692011  0.000000000000  0.000000000000  0.000000000000
 -0.706329396502  0.367968640064  0.000000000000  0.000000000000  0.000000000000
 -0.562027425125  0.341125260685  1.000000000000  0.000000000000  0.000000000000
 -0.056917879371 -0.702422877543  0.000000000000  1.000000000000  0.000000000000
  0.006284540351 -0.476533481636  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       4194.30101000
        907.84651700
        271.11768300
         41.08718830
         19.81780160
         13.76058870
          6.12123430
          1.13455944
       4272.99324e-4
          0.07300000
 -0.004452670530  0.000000000000  0.000000000000  0.000000000000
 -0.023660069211  0.000000000000  0.000000000000  0.000000000000
 -0.061794240659  0.000000000000  0.000000000000  0.000000000000
  0.198509407277  0.000000000000  0.000000000000  0.000000000000
  0.139453557140  0.000000000000  0.000000000000  0.000000000000
 -0.169874497942  0.000000000000  0.000000000000  0.000000000000
 -0.481303610115  0.000000000000  0.000000000000  0.000000000000
  0.739965862437  1.000000000000  0.000000000000  0.000000000000
  0.397589754601  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        561.82872000
        162.34507700
         58.63737600
         11.05890640
          5.73794038
          1.20660655
       4621.33022e-4
       1569.42224e-4
          0.05330000
  0.005694052390  0.000000000000  0.000000000000  0.000000000000
  0.032451696426  0.000000000000  0.000000000000  0.000000000000
  0.070564708864  0.000000000000  0.000000000000  0.000000000000
 -0.131635132220  0.000000000000  0.000000000000  0.000000000000
 -0.136329241154  0.000000000000  0.000000000000  0.000000000000
  0.368288448929  0.000000000000  0.000000000000  0.000000000000
  0.537623847967  1.000000000000  0.000000000000  0.000000000000
  0.280480242564  0.000000000000  1.000000000000  0.000000000000
  0.017794418903  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    6    2
         63.04834200
         20.24913600
          7.54641720
          2.83438400
          0.97430700
       3518.01265e-4
  0.090861845000  0.000000000000
  0.319953200000  0.000000000000
  0.473194080000  0.000000000000
  0.361582940000  0.000000000000
  0.119418270000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: RE-NP-(d5s2)6S-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.5201100000e5  1.1909600000e5  3.6660500000e4  1.2544200000e4  4.5886800000e3  1.7042700000e3  6.7848100000e2  3.1625000000e2  1.0835500000e2 60.363500000000 13.655500000000
  7.424770000000  3.419030000000  1.380730000000
  0.044088038067  0.039362492000  0.063572237400  0.097002290000  0.130007736667  0.169546571333  0.302719640667  0.309747222000  0.394684054000  0.711868053333  0.769995246667
  0.729982453333  0.215282848000  0.022141116933
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  5.2857827000e3  9.2759937000e2  2.1941545000e2 48.208117000000
   35781883.00000000
    5358191.00000000
    1219376.20000000
     345374.95000000
     112668.31000000
      40669.76800000
      15858.49700000
       6574.24730000
       2864.19520000
       1299.12900000
        605.14844000
        269.87169000
        137.91355000
         69.67583900
         31.27731800
         16.38298000
          7.02346900
          3.49020670
          1.36069760
          0.62073022
          0.12544661
        481.69998e-4
  0.001155795710 -0.000440039011 -0.000209270339 -0.000103156480
  0.002773456730 -0.001058830200 -0.000503845717 -0.000248375949
  0.006399997560 -0.002453354400 -0.001167857190 -0.000575859259
  0.013217765100 -0.005109948010 -0.002437326390 -0.001201959800
  0.026496645200 -0.010367174000 -0.004948301070 -0.002442455490
  0.051172188500 -0.020506979000 -0.009850374250 -0.004862443190
  0.096607415900 -0.040007520000 -0.019239470900 -0.009525100180
  0.172633132000 -0.076573835100 -0.037528093800 -0.018579456000
  0.272692383000 -0.133488030000 -0.065787231600 -0.032868605900
  0.321911663000 -0.191692120000 -0.100139789000 -0.050048001900
  0.210806452000 -0.112020690000 -0.053101987700 -0.027258072900
  0.041207559400  0.266409090000  0.194503439000  0.110097990000
 -0.003257404730  0.558713021000  0.584052167000  0.339877299000
  0.001731666620  0.318194690000  0.255394969000  0.172694110000
 -0.000948442729  0.022871774000 -0.821882336000 -0.904378968000
  0.000537792815  0.000424523240 -0.504930137000 -0.567643999000
 -0.000260982132 -0.001054886000 -0.060066583700  0.935908908000
  0.000143814161  0.000570198181  0.012490070900  0.577393299000
 -0.000057940033 -0.000253501030 -0.004800085870  0.025589094900
  0.000022627176  0.000108175080  0.001940410990 -0.000844063228
 -0.000005248190 -0.000024934292 -0.000438631278  0.000188261770
  0.000002175900  0.000010309438  0.000182795099 -0.000062816860
   18    3
  8.1285934000e2  1.8475028000e2 36.565637000000
      89387.68000000
      21166.72300000
       6873.25930000
       2628.13270000
       1114.90790000
        508.50757000
        244.01522000
        121.32689000
         60.91324700
         31.49017400
         16.34639800
          8.05342780
          3.93635810
          1.65615640
          0.75627286
          0.30882783
        896.04722e-4
        344.07142e-4
  0.001525937580 -0.000781413603 -0.000381726949
  0.004650541850 -0.002398524580 -0.001173181600
  0.014507835800 -0.007557431930 -0.003708208690
  0.042724399500 -0.022639907800 -0.011138427000
  0.112739869000 -0.061609836400 -0.030593276900
  0.242673087000 -0.138876279000 -0.069559231800
  0.366779346000 -0.220899918000 -0.112701660000
  0.308306956000 -0.135463979000 -0.058943941800
  0.100444319000  0.269959707000  0.205166199000
  0.004927967340  0.567081685000  0.469382119000
  0.001107637890  0.281923967000  0.037584016900
 -0.000630820363  0.031477373700 -0.645120098000
  0.000230820587  0.000404543356 -0.478918879000
 -0.000114422119  0.000202384568 -0.056235491800
  0.000059852131 -0.000100967419  0.003874213490
 -0.000021461616  0.000024648746 -0.001331842100
  0.000007349452 -0.000008864611  0.000414836519
 -0.000002779321  0.000003395251 -0.000148079820
   14    2
  1.4375198000e2 21.350826000000
       3733.69050000
       1129.27430000
        440.77439000
        194.87478000
         92.78086500
         45.98227700
         23.36842900
         11.69640200
          5.72121700
          2.71950640
          1.11922640
          0.44439149
          0.15906473
        569.35354e-4
  0.001292128310 -0.000649194051
  0.008451431080 -0.004289235210
  0.039221485400 -0.020034928000
  0.128923651000 -0.067429198100
  0.288904473000 -0.151367240000
  0.400878344000 -0.197332100000
  0.277230233000 -0.010062575000
  0.071332576700  0.375864241000
  0.003782289440  0.496578261000
  0.000746829537  0.228433780000
 -0.000115959451  0.024872484000
  0.000063924476 -0.001126268800
 -0.000026988892  0.000451788191
  0.000008571787 -0.000160670460
    9    1
  4.406321200000
        332.54602000
        115.16694000
         48.68767700
         22.33074400
         10.56765900
          4.93672570
          2.20852950
          0.88145531
          0.35180126
  0.002795302480
  0.021315355800
  0.085326311300
  0.215979378000
  0.343025617000
  0.363288037000
  0.250417178000
  0.084667748300
  0.005377787950
Spectral Representation Operator
External primitive basis
    3
   21
     711410.56700000
      59280.68730000
       8622.05996000
       1713.65708000
        153.43682300
         57.23441010
         34.85998880
         22.83522950
          5.27231447
          1.09203758
       6231.35828e-4
       1063.88272e-4
       4004.38894e-5
   35781883.00000000
    5358191.00000000
    1219376.20000000
     112668.31000000
      15858.49700000
       2864.19520000
        605.14844000
        269.87169000
   16
       4194.30101000
        907.84651700
        271.11768300
         41.08718830
         19.81780160
         13.76058870
          6.12123430
          1.13455944
       4272.99324e-4
          0.07300000
      89387.68000000
      21166.72300000
       2628.13270000
        508.50757000
        121.32689000
         60.91324700
   12
        561.82872000
        162.34507700
         58.63737600
         11.05890640
          5.73794038
          1.20660655
       4621.33022e-4
       1569.42224e-4
          0.05330000
       3733.69050000
       1129.27430000
         23.36842900
    7
         63.04834200
         20.24913600
          7.54641720
          2.83438400
          0.97430700
       3518.01265e-4
        332.54602000
Exchange
NoPair
End of Spectral Representation Operator

/Re.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.15el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
RHENIUM (13s,10p,9d,1f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*RE-NP-(d5s2)6S-(A3/91/9/51)
********************************************************************************
    15.0   3
* s-type functions
   13    5
     711410.56700000
      59280.68730000
       8622.05996000
       1713.65708000
        153.43682300
         57.23441010
         34.85998880
         22.83522950
          5.27231447
          1.09203758
       6231.35828e-4
       1063.88272e-4
       4004.38894e-5
 -0.000670154851  0.000201542830  0.000000000000  0.000000000000  0.000000000000
 -0.003103732302  0.000933418465  0.000000000000  0.000000000000  0.000000000000
 -0.012258499143  0.003687396797  0.000000000000  0.000000000000  0.000000000000
 -0.033081376241  0.009952470853  0.000000000000  0.000000000000  0.000000000000
  0.182997284031 -0.055380828912  0.000000000000  0.000000000000  0.000000000000
  0.104825874580 -0.031766782202  0.000000000000  0.000000000000  0.000000000000
 -0.307544477047  0.094569679958  0.000000000000  0.000000000000  0.000000000000
 -0.355223487869  0.110092852179  0.000000000000  0.000000000000  0.000000000000
  1.104901839540 -0.377140692011  0.000000000000  0.000000000000  0.000000000000
 -0.706329396502  0.367968640064  0.000000000000  0.000000000000  0.000000000000
 -0.562027425125  0.341125260685  1.000000000000  0.000000000000  0.000000000000
 -0.056917879371 -0.702422877543  0.000000000000  1.000000000000  0.000000000000
  0.006284540351 -0.476533481636  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       4194.30101000
        907.84651700
        271.11768300
         41.08718830
         19.81780160
         13.76058870
          6.12123430
          1.13455944
       4272.99324e-4
          0.07300000
 -0.004452670530  0.000000000000  0.000000000000  0.000000000000
 -0.023660069211  0.000000000000  0.000000000000  0.000000000000
 -0.061794240659  0.000000000000  0.000000000000  0.000000000000
  0.198509407277  0.000000000000  0.000000000000  0.000000000000
  0.139453557140  0.000000000000  0.000000000000  0.000000000000
 -0.169874497942  0.000000000000  0.000000000000  0.000000000000
 -0.481303610115  0.000000000000  0.000000000000  0.000000000000
  0.739965862437  1.000000000000  0.000000000000  0.000000000000
  0.397589754601  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        561.82872000
        162.34507700
         58.63737600
         11.05890640
          5.73794038
          1.20660655
       4621.33022e-4
       1569.42224e-4
          0.05330000
  0.005694052390  0.000000000000  0.000000000000  0.000000000000
  0.032451696426  0.000000000000  0.000000000000  0.000000000000
  0.070564708864  0.000000000000  0.000000000000  0.000000000000
 -0.131635132220  0.000000000000  0.000000000000  0.000000000000
 -0.136329241154  0.000000000000  0.000000000000  0.000000000000
  0.368288448929  0.000000000000  0.000000000000  0.000000000000
  0.537623847967  1.000000000000  0.000000000000  0.000000000000
  0.280480242564  0.000000000000  1.000000000000  0.000000000000
  0.017794418903  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    1    1
       3518.01265e-4
  1.000000000000
********************************************************************************
* Core AIMP: RE-NP-(d5s2)6S-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.5201100000e5  1.1909600000e5  3.6660500000e4  1.2544200000e4  4.5886800000e3  1.7042700000e3  6.7848100000e2  3.1625000000e2  1.0835500000e2 60.363500000000 13.655500000000
  7.424770000000  3.419030000000  1.380730000000
  0.044088038067  0.039362492000  0.063572237400  0.097002290000  0.130007736667  0.169546571333  0.302719640667  0.309747222000  0.394684054000  0.711868053333  0.769995246667
  0.729982453333  0.215282848000  0.022141116933
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  5.2857827000e3  9.2759937000e2  2.1941545000e2 48.208117000000
   35781883.00000000
    5358191.00000000
    1219376.20000000
     345374.95000000
     112668.31000000
      40669.76800000
      15858.49700000
       6574.24730000
       2864.19520000
       1299.12900000
        605.14844000
        269.87169000
        137.91355000
         69.67583900
         31.27731800
         16.38298000
          7.02346900
          3.49020670
          1.36069760
          0.62073022
          0.12544661
        481.69998e-4
  0.001155795710 -0.000440039011 -0.000209270339 -0.000103156480
  0.002773456730 -0.001058830200 -0.000503845717 -0.000248375949
  0.006399997560 -0.002453354400 -0.001167857190 -0.000575859259
  0.013217765100 -0.005109948010 -0.002437326390 -0.001201959800
  0.026496645200 -0.010367174000 -0.004948301070 -0.002442455490
  0.051172188500 -0.020506979000 -0.009850374250 -0.004862443190
  0.096607415900 -0.040007520000 -0.019239470900 -0.009525100180
  0.172633132000 -0.076573835100 -0.037528093800 -0.018579456000
  0.272692383000 -0.133488030000 -0.065787231600 -0.032868605900
  0.321911663000 -0.191692120000 -0.100139789000 -0.050048001900
  0.210806452000 -0.112020690000 -0.053101987700 -0.027258072900
  0.041207559400  0.266409090000  0.194503439000  0.110097990000
 -0.003257404730  0.558713021000  0.584052167000  0.339877299000
  0.001731666620  0.318194690000  0.255394969000  0.172694110000
 -0.000948442729  0.022871774000 -0.821882336000 -0.904378968000
  0.000537792815  0.000424523240 -0.504930137000 -0.567643999000
 -0.000260982132 -0.001054886000 -0.060066583700  0.935908908000
  0.000143814161  0.000570198181  0.012490070900  0.577393299000
 -0.000057940033 -0.000253501030 -0.004800085870  0.025589094900
  0.000022627176  0.000108175080  0.001940410990 -0.000844063228
 -0.000005248190 -0.000024934292 -0.000438631278  0.000188261770
  0.000002175900  0.000010309438  0.000182795099 -0.000062816860
   18    3
  8.1285934000e2  1.8475028000e2 36.565637000000
      89387.68000000
      21166.72300000
       6873.25930000
       2628.13270000
       1114.90790000
        508.50757000
        244.01522000
        121.32689000
         60.91324700
         31.49017400
         16.34639800
          8.05342780
          3.93635810
          1.65615640
          0.75627286
          0.30882783
        896.04722e-4
        344.07142e-4
  0.001525937580 -0.000781413603 -0.000381726949
  0.004650541850 -0.002398524580 -0.001173181600
  0.014507835800 -0.007557431930 -0.003708208690
  0.042724399500 -0.022639907800 -0.011138427000
  0.112739869000 -0.061609836400 -0.030593276900
  0.242673087000 -0.138876279000 -0.069559231800
  0.366779346000 -0.220899918000 -0.112701660000
  0.308306956000 -0.135463979000 -0.058943941800
  0.100444319000  0.269959707000  0.205166199000
  0.004927967340  0.567081685000  0.469382119000
  0.001107637890  0.281923967000  0.037584016900
 -0.000630820363  0.031477373700 -0.645120098000
  0.000230820587  0.000404543356 -0.478918879000
 -0.000114422119  0.000202384568 -0.056235491800
  0.000059852131 -0.000100967419  0.003874213490
 -0.000021461616  0.000024648746 -0.001331842100
  0.000007349452 -0.000008864611  0.000414836519
 -0.000002779321  0.000003395251 -0.000148079820
   14    2
  1.4375198000e2 21.350826000000
       3733.69050000
       1129.27430000
        440.77439000
        194.87478000
         92.78086500
         45.98227700
         23.36842900
         11.69640200
          5.72121700
          2.71950640
          1.11922640
          0.44439149
          0.15906473
        569.35354e-4
  0.001292128310 -0.000649194051
  0.008451431080 -0.004289235210
  0.039221485400 -0.020034928000
  0.128923651000 -0.067429198100
  0.288904473000 -0.151367240000
  0.400878344000 -0.197332100000
  0.277230233000 -0.010062575000
  0.071332576700  0.375864241000
  0.003782289440  0.496578261000
  0.000746829537  0.228433780000
 -0.000115959451  0.024872484000
  0.000063924476 -0.001126268800
 -0.000026988892  0.000451788191
  0.000008571787 -0.000160670460
    9    1
  4.406321200000
        332.54602000
        115.16694000
         48.68767700
         22.33074400
         10.56765900
          4.93672570
          2.20852950
          0.88145531
          0.35180126
  0.002795302480
  0.021315355800
  0.085326311300
  0.215979378000
  0.343025617000
  0.363288037000
  0.250417178000
  0.084667748300
  0.005377787950
Spectral Representation Operator
External primitive basis
    3
   21
     711410.56700000
      59280.68730000
       8622.05996000
       1713.65708000
        153.43682300
         57.23441010
         34.85998880
         22.83522950
          5.27231447
          1.09203758
       6231.35828e-4
       1063.88272e-4
       4004.38894e-5
   35781883.00000000
    5358191.00000000
    1219376.20000000
     112668.31000000
      15858.49700000
       2864.19520000
        605.14844000
        269.87169000
   16
       4194.30101000
        907.84651700
        271.11768300
         41.08718830
         19.81780160
         13.76058870
          6.12123430
          1.13455944
       4272.99324e-4
          0.07300000
      89387.68000000
      21166.72300000
       2628.13270000
        508.50757000
        121.32689000
         60.91324700
   12
        561.82872000
        162.34507700
         58.63737600
         11.05890640
          5.73794038
          1.20660655
       4621.33022e-4
       1569.42224e-4
          0.05330000
       3733.69050000
       1129.27430000
         23.36842900
    7
         63.04834200
         20.24913600
          7.54641720
          2.83438400
          0.97430700
       3518.01265e-4
        332.54602000
Exchange
NoPair
End of Spectral Representation Operator

/Os.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.16el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
OSMIUM (13s,10p,9d,6f) -> [5s,4p,4d,2f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*OS-NP-(d6s2)5D-(A3/91/9/51)
********************************************************************************
    16.0   3
* s-type functions
   13    5
     738398.85700000
      61061.62360000
       8783.57688000
       1767.53637000
        158.73696600
         58.32845880
         35.37162130
         23.21864620
          5.49616694
          1.17973143
       6840.36988e-4
       1145.40707e-4
       4276.15397e-5
 -0.000689845564  0.000248026169  0.000000000000  0.000000000000  0.000000000000
 -0.003201860928  0.001151190714  0.000000000000  0.000000000000  0.000000000000
 -0.012505450824  0.004497089879  0.000000000000  0.000000000000  0.000000000000
 -0.032816656370  0.011802572181  0.000000000000  0.000000000000  0.000000000000
  0.184034168178 -0.066549374911  0.000000000000  0.000000000000  0.000000000000
  0.106017933709 -0.038388705921  0.000000000000  0.000000000000  0.000000000000
 -0.341598778227  0.125394158148  0.000000000000  0.000000000000  0.000000000000
 -0.324943502605  0.120142803808  0.000000000000  0.000000000000  0.000000000000
  1.108386662422 -0.447973263229  0.000000000000  0.000000000000  0.000000000000
 -0.659201843579  0.401662901209  0.000000000000  0.000000000000  0.000000000000
 -0.581145330426  0.380869379622  1.000000000000  0.000000000000  0.000000000000
 -0.095040868347 -0.701738474968  0.000000000000  1.000000000000  0.000000000000
 -0.015750682543 -0.472995869549  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       4358.90549000
        941.22613600
        280.59673300
         42.35705480
         20.57947350
         13.78369730
          6.36676695
          1.20664829
       4559.49141e-4
          0.07700000
 -0.004574545690  0.000000000000  0.000000000000  0.000000000000
 -0.024197842882  0.000000000000  0.000000000000  0.000000000000
 -0.063229854054  0.000000000000  0.000000000000  0.000000000000
  0.205764933134  0.000000000000  0.000000000000  0.000000000000
  0.126256960135  0.000000000000  0.000000000000  0.000000000000
 -0.163420442875  0.000000000000  0.000000000000  0.000000000000
 -0.489496915533  0.000000000000  0.000000000000  0.000000000000
  0.748972226486  1.000000000000  0.000000000000  0.000000000000
  0.391868714822  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        582.69229900
        168.35394200
         60.84594000
         11.48626660
          6.00716590
          1.29907910
       4997.74274e-4
       1687.65745e-4
          0.05700000
  0.005961517541  0.000000000000  0.000000000000  0.000000000000
  0.034003105990  0.000000000000  0.000000000000  0.000000000000
  0.074204643922  0.000000000000  0.000000000000  0.000000000000
 -0.138842611596  0.000000000000  0.000000000000  0.000000000000
 -0.141664487201  0.000000000000  0.000000000000  0.000000000000
  0.379138864774  0.000000000000  0.000000000000  0.000000000000
  0.533828052583  1.000000000000  0.000000000000  0.000000000000
  0.274611484936  0.000000000000  1.000000000000  0.000000000000
  0.017937490905  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    6    2
         67.87353300
         21.91277700
          8.23943330
          3.13545000
          1.09512000
       3940.22276e-4
  0.086894155000  0.000000000000
  0.313010290000  0.000000000000
  0.473318940000  0.000000000000
  0.364999200000  0.000000000000
  0.117998580000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: OS-NP-(d6s2)5D-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.4695500000e5  1.1742400000e5  3.5927300000e4  1.2247200000e4  4.4801800000e3  1.6607900000e3  6.6910200000e2  3.1446600000e2  1.0871600000e2 61.850300000000 14.043500000000
  7.633790000000  3.583180000000  1.490840000000
  0.042447546937  0.038091044313  0.061723692437  0.093328177500  0.123717205000  0.163800330000  0.291413630000  0.278476708125  0.388196226875  0.644562918750  0.749363018750
  0.671170518750  0.186409378125  0.017299610875
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  5.4475519000e3  9.6011815000e2  2.2820776000e2 50.661862000000
   36938369.00000000
    5531366.40000000
    1258787.60000000
     356538.38000000
     116310.21000000
      41984.41600000
      16371.11200000
       6786.73950000
       2956.75760000
       1341.10890000
        624.77753000
        279.22792000
        142.67343000
         72.06801200
         32.36902200
         16.97575600
          7.29750890
          3.65151890
          1.45085980
          0.66235144
          0.13426052
          0.05096179
  0.001199893500 -0.000458932069 -0.000218653281 -0.000108142629
  0.002866002000 -0.001099211700 -0.000524015272 -0.000259185399
  0.006588603600 -0.002537382990 -0.001210076600 -0.000598674677
  0.013548033000 -0.005262091490 -0.002514508910 -0.001244198790
  0.027038684000 -0.010629771000 -0.005083171820 -0.002517418990
  0.051947615000 -0.020917449900 -0.010066386000 -0.004986014980
  0.097522755000 -0.040585572900 -0.019555343100 -0.009713716450
  0.173257840000 -0.077204912800 -0.037911002100 -0.018834487900
  0.272352590000 -0.133839450000 -0.066080275200 -0.033123077800
  0.320706540000 -0.191070529000 -0.099980966400 -0.050145267800
  0.210273800000 -0.110438430000 -0.052058983200 -0.026761153900
  0.041421029000  0.266412299000  0.195177771000  0.110863509000
 -0.003151054400  0.557906518000  0.584473102000  0.341731398000
  0.001696475000  0.318246039000  0.253937541000  0.171642169000
 -0.000933951040  0.022755614900 -0.823187053000 -0.911155365000
  0.000533270990  0.000507368839 -0.502739532000 -0.565257727000
 -0.000262815590 -0.001121840100 -0.061018581200  0.937502975000
  0.000147228420  0.000620965108  0.013196742000  0.576712127000
 -0.000059569566 -0.000275794019 -0.005076852220  0.026473731900
  0.000022789160  0.000115119710  0.002012875410 -0.000825894696
 -0.000005191123 -0.000026016798 -0.000446208732  0.000203076959
  0.000002129968  0.000010711309  0.000183807871 -0.000068212773
   18    3
  8.3973151000e2  1.9199856000e2 38.502068000000
      92913.91400000
      22001.50600000
       7144.38970000
       2731.92090000
       1159.03420000
        528.72272000
        253.79143000
        126.26080000
         63.50515700
         32.86181400
         17.08361400
          8.42579230
          4.13764950
          1.75792060
          0.80646288
          0.32989755
          0.09590037
        364.01279e-4
  0.001559139610 -0.000800506897 -0.000392757990
  0.004709968340 -0.002435776120 -0.001196625700
  0.014574834100 -0.007612805370 -0.003751818900
  0.042628079400 -0.022650621200 -0.011192765000
  0.112009871000 -0.061356861500 -0.030601783000
  0.240931692000 -0.138172411000 -0.069504814000
  0.365391383000 -0.220393532000 -0.112929440000
  0.309893013000 -0.138207461000 -0.060787564000
  0.102760091000  0.263650952000  0.201911330000
  0.005409247450  0.566619125000  0.471288070000
  0.001080328910  0.287378323000  0.046854130000
 -0.000620787696  0.033036309300 -0.642827340000
  0.000228599652  0.000295299083 -0.484116840000
 -0.000113549921  0.000239084492 -0.057731188000
  0.000059441351 -0.000125384831  0.003792816400
 -0.000020956261  0.000030527429 -0.001321058800
  0.000007119583 -0.000011114778  0.000401283490
 -0.000002658878  0.000004173788 -0.000141656320
   14    2
  1.4970431000e2 22.755626000000
       3778.99370000
       1142.97830000
        446.08995000
        197.18691000
         93.85151900
         46.50094000
         23.61467200
         11.80821200
          5.77754380
          2.75434770
          1.16128660
          0.46412078
          0.16631044
        595.94754e-4
  0.001354184490 -0.000685667479
  0.008810007350 -0.004505227190
  0.040676957800 -0.020947889000
  0.132887999000 -0.070064896900
  0.294823898000 -0.155623440000
  0.402180498000 -0.197952610000
  0.269544439000  0.003077911590
  0.066266318700  0.391572139000
  0.003244143080  0.492717789000
  0.000695287216  0.210879490000
 -0.000125880039  0.020967723000
  0.000059311318 -0.000423156149
 -0.000027097943  0.000298486199
  0.000008102171 -0.000079145445
    9    1
  5.224404500000
        354.42137000
        122.88051000
         52.07603400
         23.95496200
         11.39041000
          5.35790290
          2.42043540
          0.97657845
          0.39402228
  0.002674829480
  0.020516554800
  0.083009332400
  0.212740218000
  0.342551517000
  0.365698987000
  0.249850058000
  0.081231021400
  0.004708451860
Spectral Representation Operator
External primitive basis
    3
   21
     738398.85700000
      61061.62360000
       8783.57688000
       1767.53637000
        158.73696600
         58.32845880
         35.37162130
         23.21864620
          5.49616694
          1.17973143
       6840.36988e-4
       1145.40707e-4
       4276.15397e-5
   36938369.00000000
    5531366.40000000
    1258787.60000000
     116310.21000000
      16371.11200000
       2956.75760000
        624.77753000
        279.22792000
   16
       4358.90549000
        941.22613600
        280.59673300
         42.35705480
         20.57947350
         13.78369730
          6.36676695
          1.20664829
       4559.49141e-4
          0.07700000
      92913.91400000
      22001.50600000
       2731.92090000
        528.72272000
        126.26080000
         63.50515700
   12
        582.69229900
        168.35394200
         60.84594000
         11.48626660
          6.00716590
          1.29907910
       4997.74274e-4
       1687.65745e-4
          0.05700000
       3778.99370000
       1142.97830000
         23.61467200
    7
         67.87353300
         21.91277700
          8.23943330
          3.13545000
          1.09512000
       3940.22276e-4
        354.42137000
Exchange
NoPair
End of Spectral Representation Operator

/Os.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.16el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
OSMIUM (13s,10p,9d,1f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*OS-NP-(d6s2)5D-(A3/91/9/51)
********************************************************************************
    16.0   3
* s-type functions
   13    5
     738398.85700000
      61061.62360000
       8783.57688000
       1767.53637000
        158.73696600
         58.32845880
         35.37162130
         23.21864620
          5.49616694
          1.17973143
       6840.36988e-4
       1145.40707e-4
       4276.15397e-5
 -0.000689845564  0.000248026169  0.000000000000  0.000000000000  0.000000000000
 -0.003201860928  0.001151190714  0.000000000000  0.000000000000  0.000000000000
 -0.012505450824  0.004497089879  0.000000000000  0.000000000000  0.000000000000
 -0.032816656370  0.011802572181  0.000000000000  0.000000000000  0.000000000000
  0.184034168178 -0.066549374911  0.000000000000  0.000000000000  0.000000000000
  0.106017933709 -0.038388705921  0.000000000000  0.000000000000  0.000000000000
 -0.341598778227  0.125394158148  0.000000000000  0.000000000000  0.000000000000
 -0.324943502605  0.120142803808  0.000000000000  0.000000000000  0.000000000000
  1.108386662422 -0.447973263229  0.000000000000  0.000000000000  0.000000000000
 -0.659201843579  0.401662901209  0.000000000000  0.000000000000  0.000000000000
 -0.581145330426  0.380869379622  1.000000000000  0.000000000000  0.000000000000
 -0.095040868347 -0.701738474968  0.000000000000  1.000000000000  0.000000000000
 -0.015750682543 -0.472995869549  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       4358.90549000
        941.22613600
        280.59673300
         42.35705480
         20.57947350
         13.78369730
          6.36676695
          1.20664829
       4559.49141e-4
          0.07700000
 -0.004574545690  0.000000000000  0.000000000000  0.000000000000
 -0.024197842882  0.000000000000  0.000000000000  0.000000000000
 -0.063229854054  0.000000000000  0.000000000000  0.000000000000
  0.205764933134  0.000000000000  0.000000000000  0.000000000000
  0.126256960135  0.000000000000  0.000000000000  0.000000000000
 -0.163420442875  0.000000000000  0.000000000000  0.000000000000
 -0.489496915533  0.000000000000  0.000000000000  0.000000000000
  0.748972226486  1.000000000000  0.000000000000  0.000000000000
  0.391868714822  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        582.69229900
        168.35394200
         60.84594000
         11.48626660
          6.00716590
          1.29907910
       4997.74274e-4
       1687.65745e-4
          0.05700000
  0.005961517541  0.000000000000  0.000000000000  0.000000000000
  0.034003105990  0.000000000000  0.000000000000  0.000000000000
  0.074204643922  0.000000000000  0.000000000000  0.000000000000
 -0.138842611596  0.000000000000  0.000000000000  0.000000000000
 -0.141664487201  0.000000000000  0.000000000000  0.000000000000
  0.379138864774  0.000000000000  0.000000000000  0.000000000000
  0.533828052583  1.000000000000  0.000000000000  0.000000000000
  0.274611484936  0.000000000000  1.000000000000  0.000000000000
  0.017937490905  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    1    1
       3940.22276e-4
  1.000000000000
********************************************************************************
* Core AIMP: OS-NP-(d6s2)5D-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.4695500000e5  1.1742400000e5  3.5927300000e4  1.2247200000e4  4.4801800000e3  1.6607900000e3  6.6910200000e2  3.1446600000e2  1.0871600000e2 61.850300000000 14.043500000000
  7.633790000000  3.583180000000  1.490840000000
  0.042447546937  0.038091044313  0.061723692437  0.093328177500  0.123717205000  0.163800330000  0.291413630000  0.278476708125  0.388196226875  0.644562918750  0.749363018750
  0.671170518750  0.186409378125  0.017299610875
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  5.4475519000e3  9.6011815000e2  2.2820776000e2 50.661862000000
   36938369.00000000
    5531366.40000000
    1258787.60000000
     356538.38000000
     116310.21000000
      41984.41600000
      16371.11200000
       6786.73950000
       2956.75760000
       1341.10890000
        624.77753000
        279.22792000
        142.67343000
         72.06801200
         32.36902200
         16.97575600
          7.29750890
          3.65151890
          1.45085980
          0.66235144
          0.13426052
          0.05096179
  0.001199893500 -0.000458932069 -0.000218653281 -0.000108142629
  0.002866002000 -0.001099211700 -0.000524015272 -0.000259185399
  0.006588603600 -0.002537382990 -0.001210076600 -0.000598674677
  0.013548033000 -0.005262091490 -0.002514508910 -0.001244198790
  0.027038684000 -0.010629771000 -0.005083171820 -0.002517418990
  0.051947615000 -0.020917449900 -0.010066386000 -0.004986014980
  0.097522755000 -0.040585572900 -0.019555343100 -0.009713716450
  0.173257840000 -0.077204912800 -0.037911002100 -0.018834487900
  0.272352590000 -0.133839450000 -0.066080275200 -0.033123077800
  0.320706540000 -0.191070529000 -0.099980966400 -0.050145267800
  0.210273800000 -0.110438430000 -0.052058983200 -0.026761153900
  0.041421029000  0.266412299000  0.195177771000  0.110863509000
 -0.003151054400  0.557906518000  0.584473102000  0.341731398000
  0.001696475000  0.318246039000  0.253937541000  0.171642169000
 -0.000933951040  0.022755614900 -0.823187053000 -0.911155365000
  0.000533270990  0.000507368839 -0.502739532000 -0.565257727000
 -0.000262815590 -0.001121840100 -0.061018581200  0.937502975000
  0.000147228420  0.000620965108  0.013196742000  0.576712127000
 -0.000059569566 -0.000275794019 -0.005076852220  0.026473731900
  0.000022789160  0.000115119710  0.002012875410 -0.000825894696
 -0.000005191123 -0.000026016798 -0.000446208732  0.000203076959
  0.000002129968  0.000010711309  0.000183807871 -0.000068212773
   18    3
  8.3973151000e2  1.9199856000e2 38.502068000000
      92913.91400000
      22001.50600000
       7144.38970000
       2731.92090000
       1159.03420000
        528.72272000
        253.79143000
        126.26080000
         63.50515700
         32.86181400
         17.08361400
          8.42579230
          4.13764950
          1.75792060
          0.80646288
          0.32989755
          0.09590037
        364.01279e-4
  0.001559139610 -0.000800506897 -0.000392757990
  0.004709968340 -0.002435776120 -0.001196625700
  0.014574834100 -0.007612805370 -0.003751818900
  0.042628079400 -0.022650621200 -0.011192765000
  0.112009871000 -0.061356861500 -0.030601783000
  0.240931692000 -0.138172411000 -0.069504814000
  0.365391383000 -0.220393532000 -0.112929440000
  0.309893013000 -0.138207461000 -0.060787564000
  0.102760091000  0.263650952000  0.201911330000
  0.005409247450  0.566619125000  0.471288070000
  0.001080328910  0.287378323000  0.046854130000
 -0.000620787696  0.033036309300 -0.642827340000
  0.000228599652  0.000295299083 -0.484116840000
 -0.000113549921  0.000239084492 -0.057731188000
  0.000059441351 -0.000125384831  0.003792816400
 -0.000020956261  0.000030527429 -0.001321058800
  0.000007119583 -0.000011114778  0.000401283490
 -0.000002658878  0.000004173788 -0.000141656320
   14    2
  1.4970431000e2 22.755626000000
       3778.99370000
       1142.97830000
        446.08995000
        197.18691000
         93.85151900
         46.50094000
         23.61467200
         11.80821200
          5.77754380
          2.75434770
          1.16128660
          0.46412078
          0.16631044
        595.94754e-4
  0.001354184490 -0.000685667479
  0.008810007350 -0.004505227190
  0.040676957800 -0.020947889000
  0.132887999000 -0.070064896900
  0.294823898000 -0.155623440000
  0.402180498000 -0.197952610000
  0.269544439000  0.003077911590
  0.066266318700  0.391572139000
  0.003244143080  0.492717789000
  0.000695287216  0.210879490000
 -0.000125880039  0.020967723000
  0.000059311318 -0.000423156149
 -0.000027097943  0.000298486199
  0.000008102171 -0.000079145445
    9    1
  5.224404500000
        354.42137000
        122.88051000
         52.07603400
         23.95496200
         11.39041000
          5.35790290
          2.42043540
          0.97657845
          0.39402228
  0.002674829480
  0.020516554800
  0.083009332400
  0.212740218000
  0.342551517000
  0.365698987000
  0.249850058000
  0.081231021400
  0.004708451860
Spectral Representation Operator
External primitive basis
    3
   21
     738398.85700000
      61061.62360000
       8783.57688000
       1767.53637000
        158.73696600
         58.32845880
         35.37162130
         23.21864620
          5.49616694
          1.17973143
       6840.36988e-4
       1145.40707e-4
       4276.15397e-5
   36938369.00000000
    5531366.40000000
    1258787.60000000
     116310.21000000
      16371.11200000
       2956.75760000
        624.77753000
        279.22792000
   16
       4358.90549000
        941.22613600
        280.59673300
         42.35705480
         20.57947350
         13.78369730
          6.36676695
          1.20664829
       4559.49141e-4
          0.07700000
      92913.91400000
      22001.50600000
       2731.92090000
        528.72272000
        126.26080000
         63.50515700
   12
        582.69229900
        168.35394200
         60.84594000
         11.48626660
          6.00716590
          1.29907910
       4997.74274e-4
       1687.65745e-4
          0.05700000
       3778.99370000
       1142.97830000
         23.61467200
    7
         67.87353300
         21.91277700
          8.23943330
          3.13545000
          1.09512000
       3940.22276e-4
        354.42137000
Exchange
NoPair
End of Spectral Representation Operator

/Ir.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.17el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
IRIDIUM (13s,10p,9d,6f) -> [5s,4p,4d,2f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*IR-NP-(d7s2)4F-(A3/91/9/51)
********************************************************************************
    17.0   3
* s-type functions
   13    5
     786802.30000000
      64316.67760000
       9137.22799000
       1833.03866000
        164.85150600
         59.37377460
         34.59222390
         23.76380190
          5.73138400
          1.24480127
       7209.27029e-4
       1232.73212e-4
       4555.07008e-5
 -0.000689574833  0.000307582232  0.000000000000  0.000000000000  0.000000000000
 -0.003204056991  0.001429154956  0.000000000000  0.000000000000  0.000000000000
 -0.012458214658  0.005557947017  0.000000000000  0.000000000000  0.000000000000
 -0.032343136629  0.014430446300  0.000000000000  0.000000000000  0.000000000000
  0.181904819698 -0.081553205023  0.000000000000  0.000000000000  0.000000000000
  0.097057518237 -0.043601137595  0.000000000000  0.000000000000  0.000000000000
 -0.384231434568  0.174967400888  0.000000000000  0.000000000000  0.000000000000
 -0.265381286109  0.121173433042  0.000000000000  0.000000000000  0.000000000000
  1.090809073035 -0.540636586816  0.000000000000  0.000000000000  0.000000000000
 -0.652326946239  0.478927677905  0.000000000000  0.000000000000  0.000000000000
 -0.536497132414  0.401249444383  1.000000000000  0.000000000000  0.000000000000
 -0.144030745336 -0.688389508065  0.000000000000  1.000000000000  0.000000000000
 -0.051300214060 -0.476579183239  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       4533.49747000
        976.48201000
        290.57027100
         43.40518430
         20.75141400
         13.32287450
          6.56133240
          1.28448283
          0.48715976
          0.08100000
 -0.004684178677  0.000000000000  0.000000000000  0.000000000000
 -0.024673231517  0.000000000000  0.000000000000  0.000000000000
 -0.064536378244  0.000000000000  0.000000000000  0.000000000000
  0.216709235437  0.000000000000  0.000000000000  0.000000000000
  0.109755432990  0.000000000000  0.000000000000  0.000000000000
 -0.168430717541  0.000000000000  0.000000000000  0.000000000000
 -0.487020539961  0.000000000000  0.000000000000  0.000000000000
  0.754847889712  1.000000000000  0.000000000000  0.000000000000
  0.390074930640  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        602.88307300
        174.19455500
         63.01763170
         11.97052740
          6.32122851
          1.39019873
       5383.17095e-4
       1822.67404e-4
          0.06170000
  0.006233600990  0.000000000000  0.000000000000  0.000000000000
  0.035538454766  0.000000000000  0.000000000000  0.000000000000
  0.077639609553  0.000000000000  0.000000000000  0.000000000000
 -0.144063814224  0.000000000000  0.000000000000  0.000000000000
 -0.148021285059  0.000000000000  0.000000000000  0.000000000000
  0.390333371638  0.000000000000  0.000000000000  0.000000000000
  0.530650054069  1.000000000000  0.000000000000  0.000000000000
  0.265770505035  0.000000000000  1.000000000000  0.000000000000
  0.017048336898  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    6    2
         72.66477300
         23.56748500
          8.92980230
          3.43676900
          1.21641300
       4365.92248e-4
  0.083616677000  0.000000000000
  0.307153270000  0.000000000000
  0.473460980000  0.000000000000
  0.367770990000  0.000000000000
  0.116583760000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: IR-NP-(d7s2)4F-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.4997500000e5  1.1749400000e5  3.5765600000e4  1.2166600000e4  4.4563000000e3  1.6641600000e3  6.7773700000e2  3.2011300000e2  1.1175300000e2 64.049900000000 14.619900000000
  8.041340000000  3.857580000000  1.636180000000
  0.040695848824  0.036764720294  0.059504911176  0.089471472353  0.117008824706  0.155493388824  0.276686545882  0.256902711176  0.366967481176  0.603477335294  0.704699858824
  0.632968164706  0.173684378824  0.015086127118
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  5.6125001000e3  9.9341205000e2  2.3723094000e2 53.182428000000
   38103770.00000000
    5705873.40000000
    1298500.20000000
     367786.71000000
     119979.75000000
      43309.03400000
      16887.62000000
       7000.85070000
       3050.03210000
       1383.41920000
        644.56747000
        288.64708000
        147.46239000
         74.47779400
         33.47200000
         17.57455400
          7.57326580
          3.81545290
          1.54271070
          0.70345312
          0.14188111
        533.11624e-4
  0.001246275700 -0.000478888950 -0.000228567161 -0.000113424249
  0.002962916100 -0.001141677200 -0.000545228352 -0.000270581307
  0.006785495100 -0.002625459000 -0.001254322500 -0.000622642593
  0.013891833000 -0.005421065610 -0.002595120910 -0.001288404590
  0.027602386000 -0.010903641000 -0.005223689620 -0.002595663870
  0.052755446000 -0.021345502000 -0.010291195000 -0.005114709250
  0.098486316000 -0.041190122000 -0.019884238100 -0.009910019400
  0.173947490000 -0.077874145100 -0.038312387100 -0.019100047800
  0.272072750000 -0.134227560000 -0.066389228200 -0.033387307600
  0.319472940000 -0.190445800000 -0.099815293400 -0.050237468500
  0.209611800000 -0.108661440000 -0.050889078200 -0.026196534700
  0.041568370000  0.266872190000  0.196215311000  0.111850479000
 -0.003046475400  0.557056391000  0.584983772000  0.343639566000
  0.001659978600  0.317893640000  0.251676191000  0.170080698000
 -0.000917610310  0.022562497000 -0.824894783000 -0.918715830000
  0.000526862400  0.000600144471 -0.500010922000 -0.561652834000
 -0.000263231260 -0.001191792500 -0.061846368200  0.940365380000
  0.000149649540  0.000673064551  0.013904152100  0.574593804000
 -0.000060580496 -0.000297371180 -0.005337165420  0.027307834700
  0.000022626201  0.000121084340  0.002069057610 -0.000824681241
 -0.000005050609 -0.000026835981 -0.000449140362  0.000222677388
  0.000002058015  0.000010938160  0.000183701721 -0.000076121303
   18    3
  8.6710491000e2  1.9940764000e2 40.482150000000
      96509.59900000
      22852.71300000
       7420.84760000
       2837.74720000
       1204.02790000
        549.33635000
        263.76229000
        131.29484000
         66.15117400
         34.26141600
         17.83543600
          8.80635040
          4.34454330
          1.86303290
          0.85773465
          0.35157113
          0.10134365
        380.79732e-4
  0.001593633800 -0.000820318851  0.000404231651
  0.004772723790 -0.002474810900  0.001221132600
  0.014651751000 -0.007673262510  0.003798248410
  0.042560876900 -0.022675704000  0.011254541000
  0.111349270000 -0.061138543100  0.030627055100
  0.239293459000 -0.137519790000  0.069475117200
  0.364024609000 -0.219885890000  0.113154210000
  0.311339399000 -0.140740060000  0.062522354200
  0.104992390000  0.257663130000 -0.198861681000
  0.005893918790  0.566071921000 -0.473132141000
  0.001050907700  0.292555440000 -0.055611713200
 -0.000609726929  0.034551947100  0.640745722000
  0.000225639070  0.000186369710  0.488874601000
 -0.000112073640  0.000274300850  0.059133459200
  0.000058728603 -0.000149206210 -0.003677468810
 -0.000020296712  0.000035841085  0.001304324700
  0.000006810691 -0.000013035380 -0.000383921991
 -0.000002531613  0.000004789867  0.000135271820
   14    2
  1.5577948000e2 24.189970000000
       3841.54860000
       1161.91430000
        453.46152000
        200.42501000
         95.37445400
         47.25122400
         23.98238800
         11.98494700
          5.86691420
          2.80022730
          1.20784960
          0.48763313
          0.17607087
        635.74335e-4
  0.001406893080 -0.000717830211
  0.009101217990 -0.004689135300
  0.041827289500 -0.021712623000
  0.135971168000 -0.072256086100
  0.299356266000 -0.159195700000
  0.402985955000 -0.198510150000
  0.263555517000  0.013816085000
  0.062493116300  0.404281250000
  0.002866897670  0.489431250000
  0.000649880482  0.196238070000
 -0.000134205948  0.017755097000
  0.000056264227  0.000151316270
 -0.000027286346  0.000161697420
  0.000007829022 -0.000015143697
    9    1
  6.067035800000
        376.30210000
        130.60175000
         55.46611900
         25.58154300
         12.21491000
          5.78090720
          2.63387870
          1.07234840
          0.43659225
  0.002574495400
  0.019840269000
  0.081042520900
  0.209965090000
  0.342189460000
  0.367831590000
  0.249125710000
  0.078240096900
  0.004200244590
Spectral Representation Operator
External primitive basis
    3
   21
     786802.30000000
      64316.67760000
       9137.22799000
       1833.03866000
        164.85150600
         59.37377460
         34.59222390
         23.76380190
          5.73138400
          1.24480127
       7209.27029e-4
       1232.73212e-4
       4555.07008e-5
   38103770.00000000
    5705873.40000000
    1298500.20000000
     119979.75000000
      16887.62000000
       3050.03210000
        644.56747000
        288.64708000
   16
       4533.49747000
        976.48201000
        290.57027100
         43.40518430
         20.75141400
         13.32287450
          6.56133240
          1.28448283
          0.48715976
          0.08100000
      96509.59900000
      22852.71300000
       2837.74720000
        549.33635000
        131.29484000
         66.15117400
   12
        602.88307300
        174.19455500
         63.01763170
         11.97052740
          6.32122851
          1.39019873
       5383.17095e-4
       1822.67404e-4
          0.06170000
       3841.54860000
       1161.91430000
         23.98238800
    7
         72.66477300
         23.56748500
          8.92980230
          3.43676900
          1.21641300
       4365.92248e-4
        376.30210000
Exchange
NoPair
End of Spectral Representation Operator

/Ir.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.17el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
IRIDIUM (13s,10p,9d,1f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*IR-NP-(d7s2)4F-(A3/91/9/51)
********************************************************************************
    17.0   3
* s-type functions
   13    5
     786802.30000000
      64316.67760000
       9137.22799000
       1833.03866000
        164.85150600
         59.37377460
         34.59222390
         23.76380190
          5.73138400
          1.24480127
       7209.27029e-4
       1232.73212e-4
       4555.07008e-5
 -0.000689574833  0.000307582232  0.000000000000  0.000000000000  0.000000000000
 -0.003204056991  0.001429154956  0.000000000000  0.000000000000  0.000000000000
 -0.012458214658  0.005557947017  0.000000000000  0.000000000000  0.000000000000
 -0.032343136629  0.014430446300  0.000000000000  0.000000000000  0.000000000000
  0.181904819698 -0.081553205023  0.000000000000  0.000000000000  0.000000000000
  0.097057518237 -0.043601137595  0.000000000000  0.000000000000  0.000000000000
 -0.384231434568  0.174967400888  0.000000000000  0.000000000000  0.000000000000
 -0.265381286109  0.121173433042  0.000000000000  0.000000000000  0.000000000000
  1.090809073035 -0.540636586816  0.000000000000  0.000000000000  0.000000000000
 -0.652326946239  0.478927677905  0.000000000000  0.000000000000  0.000000000000
 -0.536497132414  0.401249444383  1.000000000000  0.000000000000  0.000000000000
 -0.144030745336 -0.688389508065  0.000000000000  1.000000000000  0.000000000000
 -0.051300214060 -0.476579183239  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       4533.49747000
        976.48201000
        290.57027100
         43.40518430
         20.75141400
         13.32287450
          6.56133240
          1.28448283
          0.48715976
          0.08100000
 -0.004684178677  0.000000000000  0.000000000000  0.000000000000
 -0.024673231517  0.000000000000  0.000000000000  0.000000000000
 -0.064536378244  0.000000000000  0.000000000000  0.000000000000
  0.216709235437  0.000000000000  0.000000000000  0.000000000000
  0.109755432990  0.000000000000  0.000000000000  0.000000000000
 -0.168430717541  0.000000000000  0.000000000000  0.000000000000
 -0.487020539961  0.000000000000  0.000000000000  0.000000000000
  0.754847889712  1.000000000000  0.000000000000  0.000000000000
  0.390074930640  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        602.88307300
        174.19455500
         63.01763170
         11.97052740
          6.32122851
          1.39019873
       5383.17095e-4
       1822.67404e-4
          0.06170000
  0.006233600990  0.000000000000  0.000000000000  0.000000000000
  0.035538454766  0.000000000000  0.000000000000  0.000000000000
  0.077639609553  0.000000000000  0.000000000000  0.000000000000
 -0.144063814224  0.000000000000  0.000000000000  0.000000000000
 -0.148021285059  0.000000000000  0.000000000000  0.000000000000
  0.390333371638  0.000000000000  0.000000000000  0.000000000000
  0.530650054069  1.000000000000  0.000000000000  0.000000000000
  0.265770505035  0.000000000000  1.000000000000  0.000000000000
  0.017048336898  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    1    1
       4365.92248e-4
  1.000000000000
********************************************************************************
* Core AIMP: IR-NP-(d7s2)4F-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.4997500000e5  1.1749400000e5  3.5765600000e4  1.2166600000e4  4.4563000000e3  1.6641600000e3  6.7773700000e2  3.2011300000e2  1.1175300000e2 64.049900000000 14.619900000000
  8.041340000000  3.857580000000  1.636180000000
  0.040695848824  0.036764720294  0.059504911176  0.089471472353  0.117008824706  0.155493388824  0.276686545882  0.256902711176  0.366967481176  0.603477335294  0.704699858824
  0.632968164706  0.173684378824  0.015086127118
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  5.6125001000e3  9.9341205000e2  2.3723094000e2 53.182428000000
   38103770.00000000
    5705873.40000000
    1298500.20000000
     367786.71000000
     119979.75000000
      43309.03400000
      16887.62000000
       7000.85070000
       3050.03210000
       1383.41920000
        644.56747000
        288.64708000
        147.46239000
         74.47779400
         33.47200000
         17.57455400
          7.57326580
          3.81545290
          1.54271070
          0.70345312
          0.14188111
        533.11624e-4
  0.001246275700 -0.000478888950 -0.000228567161 -0.000113424249
  0.002962916100 -0.001141677200 -0.000545228352 -0.000270581307
  0.006785495100 -0.002625459000 -0.001254322500 -0.000622642593
  0.013891833000 -0.005421065610 -0.002595120910 -0.001288404590
  0.027602386000 -0.010903641000 -0.005223689620 -0.002595663870
  0.052755446000 -0.021345502000 -0.010291195000 -0.005114709250
  0.098486316000 -0.041190122000 -0.019884238100 -0.009910019400
  0.173947490000 -0.077874145100 -0.038312387100 -0.019100047800
  0.272072750000 -0.134227560000 -0.066389228200 -0.033387307600
  0.319472940000 -0.190445800000 -0.099815293400 -0.050237468500
  0.209611800000 -0.108661440000 -0.050889078200 -0.026196534700
  0.041568370000  0.266872190000  0.196215311000  0.111850479000
 -0.003046475400  0.557056391000  0.584983772000  0.343639566000
  0.001659978600  0.317893640000  0.251676191000  0.170080698000
 -0.000917610310  0.022562497000 -0.824894783000 -0.918715830000
  0.000526862400  0.000600144471 -0.500010922000 -0.561652834000
 -0.000263231260 -0.001191792500 -0.061846368200  0.940365380000
  0.000149649540  0.000673064551  0.013904152100  0.574593804000
 -0.000060580496 -0.000297371180 -0.005337165420  0.027307834700
  0.000022626201  0.000121084340  0.002069057610 -0.000824681241
 -0.000005050609 -0.000026835981 -0.000449140362  0.000222677388
  0.000002058015  0.000010938160  0.000183701721 -0.000076121303
   18    3
  8.6710491000e2  1.9940764000e2 40.482150000000
      96509.59900000
      22852.71300000
       7420.84760000
       2837.74720000
       1204.02790000
        549.33635000
        263.76229000
        131.29484000
         66.15117400
         34.26141600
         17.83543600
          8.80635040
          4.34454330
          1.86303290
          0.85773465
          0.35157113
          0.10134365
        380.79732e-4
  0.001593633800 -0.000820318851  0.000404231651
  0.004772723790 -0.002474810900  0.001221132600
  0.014651751000 -0.007673262510  0.003798248410
  0.042560876900 -0.022675704000  0.011254541000
  0.111349270000 -0.061138543100  0.030627055100
  0.239293459000 -0.137519790000  0.069475117200
  0.364024609000 -0.219885890000  0.113154210000
  0.311339399000 -0.140740060000  0.062522354200
  0.104992390000  0.257663130000 -0.198861681000
  0.005893918790  0.566071921000 -0.473132141000
  0.001050907700  0.292555440000 -0.055611713200
 -0.000609726929  0.034551947100  0.640745722000
  0.000225639070  0.000186369710  0.488874601000
 -0.000112073640  0.000274300850  0.059133459200
  0.000058728603 -0.000149206210 -0.003677468810
 -0.000020296712  0.000035841085  0.001304324700
  0.000006810691 -0.000013035380 -0.000383921991
 -0.000002531613  0.000004789867  0.000135271820
   14    2
  1.5577948000e2 24.189970000000
       3841.54860000
       1161.91430000
        453.46152000
        200.42501000
         95.37445400
         47.25122400
         23.98238800
         11.98494700
          5.86691420
          2.80022730
          1.20784960
          0.48763313
          0.17607087
        635.74335e-4
  0.001406893080 -0.000717830211
  0.009101217990 -0.004689135300
  0.041827289500 -0.021712623000
  0.135971168000 -0.072256086100
  0.299356266000 -0.159195700000
  0.402985955000 -0.198510150000
  0.263555517000  0.013816085000
  0.062493116300  0.404281250000
  0.002866897670  0.489431250000
  0.000649880482  0.196238070000
 -0.000134205948  0.017755097000
  0.000056264227  0.000151316270
 -0.000027286346  0.000161697420
  0.000007829022 -0.000015143697
    9    1
  6.067035800000
        376.30210000
        130.60175000
         55.46611900
         25.58154300
         12.21491000
          5.78090720
          2.63387870
          1.07234840
          0.43659225
  0.002574495400
  0.019840269000
  0.081042520900
  0.209965090000
  0.342189460000
  0.367831590000
  0.249125710000
  0.078240096900
  0.004200244590
Spectral Representation Operator
External primitive basis
    3
   21
     786802.30000000
      64316.67760000
       9137.22799000
       1833.03866000
        164.85150600
         59.37377460
         34.59222390
         23.76380190
          5.73138400
          1.24480127
       7209.27029e-4
       1232.73212e-4
       4555.07008e-5
   38103770.00000000
    5705873.40000000
    1298500.20000000
     119979.75000000
      16887.62000000
       3050.03210000
        644.56747000
        288.64708000
   16
       4533.49747000
        976.48201000
        290.57027100
         43.40518430
         20.75141400
         13.32287450
          6.56133240
          1.28448283
          0.48715976
          0.08100000
      96509.59900000
      22852.71300000
       2837.74720000
        549.33635000
        131.29484000
         66.15117400
   12
        602.88307300
        174.19455500
         63.01763170
         11.97052740
          6.32122851
          1.39019873
       5383.17095e-4
       1822.67404e-4
          0.06170000
       3841.54860000
       1161.91430000
         23.98238800
    7
         72.66477300
         23.56748500
          8.92980230
          3.43676900
          1.21641300
       4365.92248e-4
        376.30210000
Exchange
NoPair
End of Spectral Representation Operator

/Pt.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.18el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
PLATINUM (13s,10p,9d,6f) -> [5s,4p,4d,2f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*PT-NP-(d9s1)3D-(A3/91/9/51)
********************************************************************************
    18.0   3
* s-type functions
   13    5
     994692.87900000
      77955.26950000
      10772.63920000
       1988.88676000
        166.37443800
         79.70106650
         31.38866000
         24.99927280
          6.00960420
          1.34610155
       7578.33253e-4
       1229.41305e-4
       4530.23036e-5
 -0.000652230000  0.000180410000  0.000000000000  0.000000000000  0.000000000000
 -0.003072490000  0.000849870000  0.000000000000  0.000000000000  0.000000000000
 -0.012365790000  0.003421350000  0.000000000000  0.000000000000  0.000000000000
 -0.034806220000  0.009631220000  0.000000000000  0.000000000000  0.000000000000
  0.199378380000 -0.055562350000  0.000000000000  0.000000000000  0.000000000000
  0.030817470000 -0.008561000000  0.000000000000  0.000000000000  0.000000000000
 -0.412555670000  0.118825300000  0.000000000000  0.000000000000  0.000000000000
 -0.218180430000  0.061340010000  0.000000000000  0.000000000000  0.000000000000
  1.171307140000 -0.374064030000  0.000000000000  0.000000000000  0.000000000000
 -0.681362430000  0.352598510000  0.000000000000  0.000000000000  0.000000000000
 -0.626777130000  0.323359040000  1.000000000000  0.000000000000  0.000000000000
 -0.043861100000 -0.672074080000  0.000000000000  1.000000000000  0.000000000000
  0.015515080000 -0.497268740000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       4731.02594000
       1015.73335000
        301.46590100
         44.19478090
         20.04553780
         12.24703760
          6.65042248
          1.36632394
       5149.97305e-4
          0.08600000
 -0.004743950000  0.000000000000  0.000000000000  0.000000000000
 -0.024913100000  0.000000000000  0.000000000000  0.000000000000
 -0.065405740000  0.000000000000  0.000000000000  0.000000000000
  0.230355650000  0.000000000000  0.000000000000  0.000000000000
  0.087940290000  0.000000000000  0.000000000000  0.000000000000
 -0.196077170000  0.000000000000  0.000000000000  0.000000000000
 -0.457982160000  0.000000000000  0.000000000000  0.000000000000
  0.753564710000  1.000000000000  0.000000000000  0.000000000000
  0.397068760000  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        627.51777100
        180.66062900
         65.26877720
         12.55029950
          6.76567386
          1.44856022
       5454.78553e-4
       1763.93452e-4
          0.05700000
  0.006234990000  0.000000000000  0.000000000000  0.000000000000
  0.035796780000  0.000000000000  0.000000000000  0.000000000000
  0.078523720000  0.000000000000  0.000000000000  0.000000000000
 -0.139861990000  0.000000000000  0.000000000000  0.000000000000
 -0.151647420000  0.000000000000  0.000000000000  0.000000000000
  0.401779110000  0.000000000000  0.000000000000  0.000000000000
  0.523790630000  1.000000000000  0.000000000000  0.000000000000
  0.272658880000  0.000000000000  1.000000000000  0.000000000000
  0.021028620000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    6    2
         75.05053300
         24.41317700
          9.29944330
          3.61630000
          1.29000000
       4659.40913e-4
  0.085516336000  0.000000000000
  0.312075000000  0.000000000000
  0.475614440000  0.000000000000
  0.360565360000  0.000000000000
  0.108710380000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: PT-NP-(d9s1)3D-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  4.4819900000e6  1.9605400000e5  5.8500900000e4  1.9605900000e4  7.1080100000e3  2.6603200000e3  1.0064100000e3  4.4048800000e2  1.6217300000e2 74.747300000000 25.892500000000
 12.498500000000  5.932530000000  2.341470000000
  0.030029300833  0.027915639167  0.045533389833  0.070781942222  0.098990431111  0.125523033333  0.210197228333  0.306534592778  0.226254827222  0.716420466667  0.135320408333
  0.898374944444  0.400179903889  0.041277225722
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  5.7804529000e3  1.0272593000e3  2.4625025000e2 55.530632000000
   39153030.00000000
    5863120.10000000
    1334304.40000000
     377931.06000000
     123287.67000000
      44501.41400000
      17351.81500000
       7193.09600000
       3133.77240000
       1421.43060000
        662.32698000
        296.70361000
        151.63278000
         76.62601200
         34.49011000
         18.11404000
          7.80619200
          3.95609900
          1.60825750
          0.71201000
          0.12891620
          0.04863460
  0.001297772610  0.000501018299 -0.000239539600 -0.000119256360
  0.003070791520  0.001188820500 -0.000568720910 -0.000283158910
  0.007005732730  0.002723521900 -0.001303425400 -0.000649124960
  0.014280291100  0.005599383590 -0.002685148700 -0.001337455300
  0.028251639100  0.011214658000 -0.005382229100 -0.002683182900
  0.053722445300  0.021845688000 -0.010551270000 -0.005261212400
  0.099735831500  0.041925821000 -0.020276750000 -0.010138932000
  0.175086421000  0.078786955900 -0.038836116000 -0.019425422000
  0.272269421000  0.134906550000 -0.066842334000 -0.033727845000
  0.318161342000  0.190007740000 -0.099767106100 -0.050373777000
  0.208088911000  0.105551070000 -0.048897019000 -0.025225074000
  0.041196653200 -0.270891840000  0.200168560000  0.114608750000
 -0.003005010410 -0.555650939000  0.586376030000  0.345995710000
  0.001636309210 -0.314739670000  0.243779770000  0.165162460000
 -0.000903636924 -0.021730852000 -0.829981650000 -0.932623610000
  0.000517790883 -0.000811112399 -0.493593650000 -0.548289350000
 -0.000258781851  0.001293294000 -0.061187254000  0.951955010000
  0.000146552001 -0.000727459829  0.014080352000  0.562621970000
 -0.000056723260  0.000303915320 -0.005147413000  0.026931551000
  0.000019756014 -0.000115470710  0.001873879200 -0.000882884770
 -0.000004267049  0.000024716330 -0.000393595790  0.000249718400
  0.000001833088 -0.000010697603  0.000169881660 -0.000117672400
   18    3
  8.9474613000e2  2.0674101000e2 42.268714000000
      99621.50800000
      23589.61800000
       7660.19900000
       2929.35380000
       1242.96530000
        567.16252000
        272.37537000
        135.62884000
         68.39620000
         35.45437900
         18.47166100
          9.12888400
          4.52285500
          1.94793900
          0.89223600
          0.36185900
          0.09208300
          0.03473900
  0.001637946410 -0.000845264380  0.000418345988
  0.004868072840 -0.002530907700  0.001254323190
  0.014836639100 -0.007790956200  0.003873562580
  0.042819368300 -0.022876154000  0.011404771900
  0.111489401000 -0.061375215000  0.030882856900
  0.238992422000 -0.137675490000  0.069864012700
  0.363407983000 -0.219872830000  0.113635419000
  0.311429043000 -0.141041370000  0.062883937700
  0.105556371000  0.256813860000 -0.199598829000
  0.006046504450  0.565713320000 -0.475367298000
  0.001032375610  0.293416650000 -0.055999327700
 -0.000603399355  0.034839942000  0.642996947000
  0.000222627152  0.000126013040  0.487761988000
 -0.000107531551  0.000269703330  0.058052130700
  0.000055156481 -0.000154155180 -0.003321024480
 -0.000017491784  0.000030056555  0.001225897690
  0.000005511973 -0.000011858279 -0.000302759689
 -0.000002195730  0.000004601430  0.000118546559
   14    2
  1.6174047000e2 25.418600000000
       3675.65140000
       1111.54360000
        433.50951000
        191.31286000
         90.78704300
         44.83156800
         22.59315800
         11.18903500
          5.42517400
          2.51996000
          1.10611500
          0.44111500
          0.15548600
        548.06334e-4
  0.001627786820 -0.000837312473
  0.010514794100 -0.005458231220
  0.047778510500 -0.025036163100
  0.152045841000 -0.081516851300
  0.321804133000 -0.172163491000
  0.404628414000 -0.193197201000
  0.233945522000  0.067695451300
  0.045488485400  0.454259742000
  0.001676895320  0.464990912000
  0.000398667204  0.143524111000
 -0.000089062233  0.007050735030
  0.000022984778  0.001494412310
 -0.000017564809 -0.000139817781
  0.000003779030  0.000132403361
    9    1
  6.698298100000
        395.41515000
        137.34360000
         58.41405800
         26.99215800
         12.92419700
          6.14229200
          2.81343500
          1.14494300
          0.46594091
  0.002531455610
  0.019552689100
  0.080363939400
  0.209511391000
  0.343559442000
  0.369531802000
  0.245884811000
  0.074024054400
  0.003831397720
Spectral Representation Operator
External primitive basis
    3
   21
     994692.87900000
      77955.26950000
      10772.63920000
       1988.88676000
        166.37443800
         79.70106650
         31.38866000
         24.99927280
          6.00960420
          1.34610155
       7578.33253e-4
       1229.41305e-4
       4530.23036e-5
   39153030.00000000
    5863120.10000000
    1334304.40000000
     123287.67000000
      17351.81500000
       3133.77240000
        662.32698000
        296.70361000
   16
       4731.02594000
       1015.73335000
        301.46590100
         44.19478090
         20.04553780
         12.24703760
          6.65042248
          1.36632394
       5149.97305e-4
          0.08600000
      99621.50770000
      23589.61820000
       2929.35380000
        567.16252100
        135.62884000
         68.39620000
   12
        627.51777100
        180.66062900
         65.26877720
         12.55029950
          6.76567386
          1.44856022
       5454.78553e-4
       1763.93452e-4
          0.05700000
       3675.65139000
       1111.54363000
         22.59315800
    7
         75.05053300
         24.41317700
          9.29944330
          3.61630000
          1.29000000
       4659.40913e-4
        395.41515000
Exchange
NoPair
End of Spectral Representation Operator

/Pt.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.18el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
PLATINUM (13s,10p,9d,1f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*PT-NP-(d9s1)3D-(A3/91/9/51)
********************************************************************************
    18.0   3
* s-type functions
   13    5
     994692.87900000
      77955.26950000
      10772.63920000
       1988.88676000
        166.37443800
         79.70106650
         31.38866000
         24.99927280
          6.00960420
          1.34610155
       7578.33253e-4
       1229.41305e-4
       4530.23036e-5
 -0.000652230000  0.000180410000  0.000000000000  0.000000000000  0.000000000000
 -0.003072490000  0.000849870000  0.000000000000  0.000000000000  0.000000000000
 -0.012365790000  0.003421350000  0.000000000000  0.000000000000  0.000000000000
 -0.034806220000  0.009631220000  0.000000000000  0.000000000000  0.000000000000
  0.199378380000 -0.055562350000  0.000000000000  0.000000000000  0.000000000000
  0.030817470000 -0.008561000000  0.000000000000  0.000000000000  0.000000000000
 -0.412555670000  0.118825300000  0.000000000000  0.000000000000  0.000000000000
 -0.218180430000  0.061340010000  0.000000000000  0.000000000000  0.000000000000
  1.171307140000 -0.374064030000  0.000000000000  0.000000000000  0.000000000000
 -0.681362430000  0.352598510000  0.000000000000  0.000000000000  0.000000000000
 -0.626777130000  0.323359040000  1.000000000000  0.000000000000  0.000000000000
 -0.043861100000 -0.672074080000  0.000000000000  1.000000000000  0.000000000000
  0.015515080000 -0.497268740000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       4731.02594000
       1015.73335000
        301.46590100
         44.19478090
         20.04553780
         12.24703760
          6.65042248
          1.36632394
       5149.97305e-4
          0.08600000
 -0.004743950000  0.000000000000  0.000000000000  0.000000000000
 -0.024913100000  0.000000000000  0.000000000000  0.000000000000
 -0.065405740000  0.000000000000  0.000000000000  0.000000000000
  0.230355650000  0.000000000000  0.000000000000  0.000000000000
  0.087940290000  0.000000000000  0.000000000000  0.000000000000
 -0.196077170000  0.000000000000  0.000000000000  0.000000000000
 -0.457982160000  0.000000000000  0.000000000000  0.000000000000
  0.753564710000  1.000000000000  0.000000000000  0.000000000000
  0.397068760000  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        627.51777100
        180.66062900
         65.26877720
         12.55029950
          6.76567386
          1.44856022
       5454.78553e-4
       1763.93452e-4
          0.05700000
  0.006234990000  0.000000000000  0.000000000000  0.000000000000
  0.035796780000  0.000000000000  0.000000000000  0.000000000000
  0.078523720000  0.000000000000  0.000000000000  0.000000000000
 -0.139861990000  0.000000000000  0.000000000000  0.000000000000
 -0.151647420000  0.000000000000  0.000000000000  0.000000000000
  0.401779110000  0.000000000000  0.000000000000  0.000000000000
  0.523790630000  1.000000000000  0.000000000000  0.000000000000
  0.272658880000  0.000000000000  1.000000000000  0.000000000000
  0.021028620000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    1    1
       4659.40913e-4
  1.000000000000
********************************************************************************
* Core AIMP: PT-NP-(d9s1)3D-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  4.4819900000e6  1.9605400000e5  5.8500900000e4  1.9605900000e4  7.1080100000e3  2.6603200000e3  1.0064100000e3  4.4048800000e2  1.6217300000e2 74.747300000000 25.892500000000
 12.498500000000  5.932530000000  2.341470000000
  0.030029300833  0.027915639167  0.045533389833  0.070781942222  0.098990431111  0.125523033333  0.210197228333  0.306534592778  0.226254827222  0.716420466667  0.135320408333
  0.898374944444  0.400179903889  0.041277225722
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  5.7804529000e3  1.0272593000e3  2.4625025000e2 55.530632000000
   39153030.00000000
    5863120.10000000
    1334304.40000000
     377931.06000000
     123287.67000000
      44501.41400000
      17351.81500000
       7193.09600000
       3133.77240000
       1421.43060000
        662.32698000
        296.70361000
        151.63278000
         76.62601200
         34.49011000
         18.11404000
          7.80619200
          3.95609900
          1.60825750
          0.71201000
          0.12891620
          0.04863460
  0.001297772610  0.000501018299 -0.000239539600 -0.000119256360
  0.003070791520  0.001188820500 -0.000568720910 -0.000283158910
  0.007005732730  0.002723521900 -0.001303425400 -0.000649124960
  0.014280291100  0.005599383590 -0.002685148700 -0.001337455300
  0.028251639100  0.011214658000 -0.005382229100 -0.002683182900
  0.053722445300  0.021845688000 -0.010551270000 -0.005261212400
  0.099735831500  0.041925821000 -0.020276750000 -0.010138932000
  0.175086421000  0.078786955900 -0.038836116000 -0.019425422000
  0.272269421000  0.134906550000 -0.066842334000 -0.033727845000
  0.318161342000  0.190007740000 -0.099767106100 -0.050373777000
  0.208088911000  0.105551070000 -0.048897019000 -0.025225074000
  0.041196653200 -0.270891840000  0.200168560000  0.114608750000
 -0.003005010410 -0.555650939000  0.586376030000  0.345995710000
  0.001636309210 -0.314739670000  0.243779770000  0.165162460000
 -0.000903636924 -0.021730852000 -0.829981650000 -0.932623610000
  0.000517790883 -0.000811112399 -0.493593650000 -0.548289350000
 -0.000258781851  0.001293294000 -0.061187254000  0.951955010000
  0.000146552001 -0.000727459829  0.014080352000  0.562621970000
 -0.000056723260  0.000303915320 -0.005147413000  0.026931551000
  0.000019756014 -0.000115470710  0.001873879200 -0.000882884770
 -0.000004267049  0.000024716330 -0.000393595790  0.000249718400
  0.000001833088 -0.000010697603  0.000169881660 -0.000117672400
   18    3
  8.9474613000e2  2.0674101000e2 42.268714000000
      99621.50800000
      23589.61800000
       7660.19900000
       2929.35380000
       1242.96530000
        567.16252000
        272.37537000
        135.62884000
         68.39620000
         35.45437900
         18.47166100
          9.12888400
          4.52285500
          1.94793900
          0.89223600
          0.36185900
          0.09208300
          0.03473900
  0.001637946410 -0.000845264380  0.000418345988
  0.004868072840 -0.002530907700  0.001254323190
  0.014836639100 -0.007790956200  0.003873562580
  0.042819368300 -0.022876154000  0.011404771900
  0.111489401000 -0.061375215000  0.030882856900
  0.238992422000 -0.137675490000  0.069864012700
  0.363407983000 -0.219872830000  0.113635419000
  0.311429043000 -0.141041370000  0.062883937700
  0.105556371000  0.256813860000 -0.199598829000
  0.006046504450  0.565713320000 -0.475367298000
  0.001032375610  0.293416650000 -0.055999327700
 -0.000603399355  0.034839942000  0.642996947000
  0.000222627152  0.000126013040  0.487761988000
 -0.000107531551  0.000269703330  0.058052130700
  0.000055156481 -0.000154155180 -0.003321024480
 -0.000017491784  0.000030056555  0.001225897690
  0.000005511973 -0.000011858279 -0.000302759689
 -0.000002195730  0.000004601430  0.000118546559
   14    2
  1.6174047000e2 25.418600000000
       3675.65140000
       1111.54360000
        433.50951000
        191.31286000
         90.78704300
         44.83156800
         22.59315800
         11.18903500
          5.42517400
          2.51996000
          1.10611500
          0.44111500
          0.15548600
        548.06334e-4
  0.001627786820 -0.000837312473
  0.010514794100 -0.005458231220
  0.047778510500 -0.025036163100
  0.152045841000 -0.081516851300
  0.321804133000 -0.172163491000
  0.404628414000 -0.193197201000
  0.233945522000  0.067695451300
  0.045488485400  0.454259742000
  0.001676895320  0.464990912000
  0.000398667204  0.143524111000
 -0.000089062233  0.007050735030
  0.000022984778  0.001494412310
 -0.000017564809 -0.000139817781
  0.000003779030  0.000132403361
    9    1
  6.698298100000
        395.41515000
        137.34360000
         58.41405800
         26.99215800
         12.92419700
          6.14229200
          2.81343500
          1.14494300
          0.46594091
  0.002531455610
  0.019552689100
  0.080363939400
  0.209511391000
  0.343559442000
  0.369531802000
  0.245884811000
  0.074024054400
  0.003831397720
Spectral Representation Operator
External primitive basis
    3
   21
     994692.87900000
      77955.26950000
      10772.63920000
       1988.88676000
        166.37443800
         79.70106650
         31.38866000
         24.99927280
          6.00960420
          1.34610155
       7578.33253e-4
       1229.41305e-4
       4530.23036e-5
   39153030.00000000
    5863120.10000000
    1334304.40000000
     123287.67000000
      17351.81500000
       3133.77240000
        662.32698000
        296.70361000
   16
       4731.02594000
       1015.73335000
        301.46590100
         44.19478090
         20.04553780
         12.24703760
          6.65042248
          1.36632394
       5149.97305e-4
          0.08600000
      99621.50770000
      23589.61820000
       2929.35380000
        567.16252100
        135.62884000
         68.39620000
   12
        627.51777100
        180.66062900
         65.26877720
         12.55029950
          6.76567386
          1.44856022
       5454.78553e-4
       1763.93452e-4
          0.05700000
       3675.65139000
       1111.54363000
         22.59315800
    7
         75.05053300
         24.41317700
          9.29944330
          3.61630000
          1.29000000
       4659.40913e-4
        395.41515000
Exchange
NoPair
End of Spectral Representation Operator

/Au.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.19el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
GOLD (13s,10p,9d,6f) -> [5s,4p,4d,2f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*AU-NP-(d10s1)2S-(A3/91/9/51)
********************************************************************************
    19.0   3
* s-type functions
   13    5
    1027116.12000000
      80200.72340000
      11026.76770000
       2054.70888000
        170.33267900
         71.80516740
         30.12612100
          9.94131585
          5.88850690
          1.52638883
       8016.31622e-4
       1309.13811e-4
       4737.91401e-5
 -0.000695398882  0.000189225062  0.000000000000  0.000000000000  0.000000000000
 -0.003231678448  0.000879357387  0.000000000000  0.000000000000  0.000000000000
 -0.012824857878  0.003490764955  0.000000000000  0.000000000000  0.000000000000
 -0.035078085446  0.009548404834  0.000000000000  0.000000000000  0.000000000000
  0.209047300418 -0.057335881436  0.000000000000  0.000000000000  0.000000000000
  0.023722134033 -0.006335101800  0.000000000000  0.000000000000  0.000000000000
 -0.643891596047  0.181272274160  0.000000000000  0.000000000000  0.000000000000
  0.109812001998 -0.034090543424  0.000000000000  0.000000000000  0.000000000000
  1.119672780454 -0.354728847035  0.000000000000  0.000000000000  0.000000000000
 -0.685029075295  0.337855611692  0.000000000000  0.000000000000  0.000000000000
 -0.668362480793  0.343582262155  1.000000000000  0.000000000000  0.000000000000
 -0.041050519244 -0.633534550318  0.000000000000  1.000000000000  0.000000000000
  0.013254565860 -0.534603213272  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       4876.53917000
       1047.68322000
        311.11848600
         45.58713610
         21.04547300
         12.04786750
          6.89478747
          1.43585213
       5400.31533e-4
          0.08900000
 -0.004888939052  0.000000000000  0.000000000000  0.000000000000
 -0.025435504776  0.000000000000  0.000000000000  0.000000000000
 -0.066522830339  0.000000000000  0.000000000000  0.000000000000
  0.236308719082  0.000000000000  0.000000000000  0.000000000000
  0.075145871522  0.000000000000  0.000000000000  0.000000000000
 -0.201139113198  0.000000000000  0.000000000000  0.000000000000
 -0.450811221676  0.000000000000  0.000000000000  0.000000000000
  0.765463461952  1.000000000000  0.000000000000  0.000000000000
  0.387256871455  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        636.34161300
        184.48337200
         67.03214420
         13.33416630
          7.29020500
          1.52702291
       5791.13187e-4
       1896.41646e-4
          0.06210000
  0.006626174348  0.000000000000  0.000000000000  0.000000000000
  0.037369545064  0.000000000000  0.000000000000  0.000000000000
  0.080819227153  0.000000000000  0.000000000000  0.000000000000
 -0.134897478247  0.000000000000  0.000000000000  0.000000000000
 -0.164081846729  0.000000000000  0.000000000000  0.000000000000
  0.417438574365  0.000000000000  0.000000000000  0.000000000000
  0.519058636387  1.000000000000  0.000000000000  0.000000000000
  0.258289023584  0.000000000000  1.000000000000  0.000000000000
  0.018463973435  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    6    2
         81.80855900
         26.72294100
         10.24161000
          4.00907700
          1.43997810
          0.50907331
  0.079238069000  0.000000000000
  0.299738470000  0.000000000000
  0.474982040000  0.000000000000
  0.370336640000  0.000000000000
  0.112153790000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: AU-NP-(d10s1)2S-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.5867400000e5  1.2142100000e5  3.7512300000e4  1.2886400000e4  4.7370500000e3  1.7632700000e3  7.1841400000e2  3.3993000000e2  1.1944600000e2 68.801300000000 15.732900000000
  8.743590000000  4.292110000000  1.851190000000
  0.037483402842  0.033224919105  0.053400492105  0.079868600526  0.104942818947  0.140831103158  0.248918695789  0.228325555263  0.327352476842  0.541345368421  0.642831894737
  0.566073242105  0.143019373158  0.010276798526
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  5.9519184000e3  1.0621473000e3  2.5574016000e2 58.180435000000
   40301880.00000000
    6035075.00000000
    1373422.80000000
     389008.13000000
     126902.41000000
      45807.73200000
      17861.88200000
       7404.74450000
       3226.03540000
       1463.30620000
        681.91890000
        305.92614000
        156.34176000
         79.01627000
         35.58454400
         18.70638400
          8.07272200
          4.11773800
          1.69710370
          0.74747375
          0.12833100
          0.04820340
  0.001349862310  0.000523600065  0.000250760369 -0.000125253679
  0.003178866530  0.001236513810  0.000592538927 -0.000295990558
  0.007224291760  0.002821916520  0.001352818590 -0.000675943906
  0.014660705100  0.005776233950  0.002774696090 -0.001386629190
  0.028875502300  0.011518595100  0.005537737070 -0.002769808590
  0.054622265500  0.022321760200  0.010800151000 -0.005403299870
  0.100838511000  0.042604297400  0.020642023900 -0.010355633900
  0.175966482000  0.079568002700  0.039293694800 -0.019721029900
  0.272167652000  0.135406181000  0.067201432700 -0.034020480800
  0.316858663000  0.189393102000  0.099605531500 -0.050460804700
  0.207047262000  0.103172741000  0.047324031800 -0.024446142900
  0.041133255400 -0.272737002000 -0.202306729000  0.116279099000
 -0.002916433230 -0.554549105000 -0.587189577000  0.348068748000
  0.001599981710 -0.313259933000 -0.238953559000  0.161917279000
 -0.000884656008 -0.021320435200  0.833143136000 -0.943035055000
  0.000508011584 -0.000924715548  0.488937428000 -0.539930247000
 -0.000255977672  0.001368741210  0.061540496700  0.958808875000
  0.000146286741 -0.000780374987 -0.014709795900  0.555702397000
 -0.000056046307  0.000321109613  0.005314877080  0.027469350900
  0.000018792702 -0.000117485811 -0.001869090190 -0.000932767035
 -0.000003899034  0.000024184219  0.000377273208  0.000279147519
  0.000001703947 -0.000010578137 -0.000164896479 -0.000118804089
   18    3
  9.2312607000e2  2.1446654000e2 44.329144000000
     103332.89000000
      24467.86700000
       7945.37050000
       3038.49910000
       1289.36830000
        588.42323000
        282.66282000
        140.82571000
         71.12935900
         36.90031400
         19.24830400
          9.52329600
          4.73932600
          2.05862600
          0.94527400
          0.38442400
          0.09166500
          0.03443100
  0.001675293790 -0.000866680451  0.000430783408
  0.004937939470 -0.002573834500  0.001281104900
  0.014933461900 -0.007861923010  0.003925765590
  0.042807749700 -0.022929534000  0.011481045000
  0.110958649000 -0.061223336100  0.030939868900
  0.237551789000 -0.137123580000  0.069880330700
  0.362106778000 -0.219380440000  0.113858300000
  0.312634518000 -0.143208610000  0.064416405800
  0.107598149000  0.251444140000 -0.196935489000
  0.006517663160  0.565087671000 -0.477150748000
  0.001000677990  0.298067920000 -0.063835012800
 -0.000590841286  0.036239829000  0.641402758000
  0.000218250229  0.000019633443  0.491738178000
 -0.000104807669  0.000299826680  0.059279896800
  0.000053641996 -0.000174618250 -0.003147950990
 -0.000016247263  0.000032685440  0.001186637000
  0.000004869039 -0.000012315809 -0.000270635589
 -0.000001989565  0.000004915403  0.000109125800
   14    2
  1.6805256000e2 26.904934000000
       3796.91570000
       1148.29080000
        447.89680000
        197.71898000
         93.87082700
         46.38902100
         23.39919700
         11.60572700
          5.64553300
          2.62745900
          1.16763200
          0.47101500
          0.16810600
        599.97297e-4
  0.001640139900 -0.000850070171
  0.010523477000 -0.005504019610
  0.047686041100 -0.025179068000
  0.151676220000 -0.081936277100
  0.321319121000 -0.173245690000
  0.404540811000 -0.194580740000
  0.234433481000  0.067927620100
  0.045789022100  0.456248821000
  0.001656528610  0.465050391000
  0.000398337531  0.140519810000
 -0.000087133758  0.005963758810
  0.000034932728  0.001206765100
 -0.000013654639 -0.000389417411
  0.000004436628  0.000131203150
    9    1
  7.583195800000
        417.51079000
        145.14952000
         61.83891700
         28.63831600
         13.75991600
          6.57261600
          3.03136600
          1.24225100
          0.50907331
  0.002455316400
  0.019024711000
  0.078814314000
  0.207286330000
  0.343275020000
  0.371277780000
  0.245095390000
  0.071754370000
  0.003503377100
Spectral Representation Operator
External primitive basis
    3
   21
    1027116.12000000
      80200.72340000
      11026.76770000
       2054.70888000
        170.33267900
         71.80516740
         30.12612100
          9.94131585
          5.88850690
          1.52638883
       8016.31622e-4
       1309.13811e-4
       4737.91401e-5
   40301880.00000000
    6035075.00000000
    1373422.80000000
     126902.41000000
      17861.88200000
       3226.03540000
        681.91890000
        305.92614000
   16
       4876.53917000
       1047.68322000
        311.11848600
         45.58713610
         21.04547300
         12.04786750
          6.89478747
          1.43585213
       5400.31533e-4
          0.08900000
     103332.89000000
      24467.86700000
       3038.49910000
        588.42323000
        140.82571000
         71.12935900
   12
        636.34161300
        184.48337200
         67.03214420
         13.33416630
          7.29020500
          1.52702291
       5791.13187e-4
       1896.41646e-4
          0.06210000
       3796.91570000
       1148.29080000
         23.39919700
    7
         81.80855900
         26.72294100
         10.24161000
          4.00907700
          1.43997810
          0.50907331
        417.51079000
Exchange
NoPair
End of Spectral Representation Operator

/Au.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.19el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
GOLD (13s,10p,9d,1f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*AU-NP-(d10s1)2S-(A3/91/9/51)
********************************************************************************
    19.0   3
* s-type functions
   13    5
    1027116.12000000
      80200.72340000
      11026.76770000
       2054.70888000
        170.33267900
         71.80516740
         30.12612100
          9.94131585
          5.88850690
          1.52638883
       8016.31622e-4
       1309.13811e-4
       4737.91401e-5
 -0.000695398882  0.000189225062  0.000000000000  0.000000000000  0.000000000000
 -0.003231678448  0.000879357387  0.000000000000  0.000000000000  0.000000000000
 -0.012824857878  0.003490764955  0.000000000000  0.000000000000  0.000000000000
 -0.035078085446  0.009548404834  0.000000000000  0.000000000000  0.000000000000
  0.209047300418 -0.057335881436  0.000000000000  0.000000000000  0.000000000000
  0.023722134033 -0.006335101800  0.000000000000  0.000000000000  0.000000000000
 -0.643891596047  0.181272274160  0.000000000000  0.000000000000  0.000000000000
  0.109812001998 -0.034090543424  0.000000000000  0.000000000000  0.000000000000
  1.119672780454 -0.354728847035  0.000000000000  0.000000000000  0.000000000000
 -0.685029075295  0.337855611692  0.000000000000  0.000000000000  0.000000000000
 -0.668362480793  0.343582262155  1.000000000000  0.000000000000  0.000000000000
 -0.041050519244 -0.633534550318  0.000000000000  1.000000000000  0.000000000000
  0.013254565860 -0.534603213272  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       4876.53917000
       1047.68322000
        311.11848600
         45.58713610
         21.04547300
         12.04786750
          6.89478747
          1.43585213
       5400.31533e-4
          0.08900000
 -0.004888939052  0.000000000000  0.000000000000  0.000000000000
 -0.025435504776  0.000000000000  0.000000000000  0.000000000000
 -0.066522830339  0.000000000000  0.000000000000  0.000000000000
  0.236308719082  0.000000000000  0.000000000000  0.000000000000
  0.075145871522  0.000000000000  0.000000000000  0.000000000000
 -0.201139113198  0.000000000000  0.000000000000  0.000000000000
 -0.450811221676  0.000000000000  0.000000000000  0.000000000000
  0.765463461952  1.000000000000  0.000000000000  0.000000000000
  0.387256871455  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        636.34161300
        184.48337200
         67.03214420
         13.33416630
          7.29020500
          1.52702291
       5791.13187e-4
       1896.41646e-4
          0.06210000
  0.006626174348  0.000000000000  0.000000000000  0.000000000000
  0.037369545064  0.000000000000  0.000000000000  0.000000000000
  0.080819227153  0.000000000000  0.000000000000  0.000000000000
 -0.134897478247  0.000000000000  0.000000000000  0.000000000000
 -0.164081846729  0.000000000000  0.000000000000  0.000000000000
  0.417438574365  0.000000000000  0.000000000000  0.000000000000
  0.519058636387  1.000000000000  0.000000000000  0.000000000000
  0.258289023584  0.000000000000  1.000000000000  0.000000000000
  0.018463973435  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    1    1
          0.50907331
  1.000000000000
********************************************************************************
* Core AIMP: AU-NP-(d10s1)2S-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.5867400000e5  1.2142100000e5  3.7512300000e4  1.2886400000e4  4.7370500000e3  1.7632700000e3  7.1841400000e2  3.3993000000e2  1.1944600000e2 68.801300000000 15.732900000000
  8.743590000000  4.292110000000  1.851190000000
  0.037483402842  0.033224919105  0.053400492105  0.079868600526  0.104942818947  0.140831103158  0.248918695789  0.228325555263  0.327352476842  0.541345368421  0.642831894737
  0.566073242105  0.143019373158  0.010276798526
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  5.9519184000e3  1.0621473000e3  2.5574016000e2 58.180435000000
   40301880.00000000
    6035075.00000000
    1373422.80000000
     389008.13000000
     126902.41000000
      45807.73200000
      17861.88200000
       7404.74450000
       3226.03540000
       1463.30620000
        681.91890000
        305.92614000
        156.34176000
         79.01627000
         35.58454400
         18.70638400
          8.07272200
          4.11773800
          1.69710370
          0.74747375
          0.12833100
          0.04820340
  0.001349862310  0.000523600065  0.000250760369 -0.000125253679
  0.003178866530  0.001236513810  0.000592538927 -0.000295990558
  0.007224291760  0.002821916520  0.001352818590 -0.000675943906
  0.014660705100  0.005776233950  0.002774696090 -0.001386629190
  0.028875502300  0.011518595100  0.005537737070 -0.002769808590
  0.054622265500  0.022321760200  0.010800151000 -0.005403299870
  0.100838511000  0.042604297400  0.020642023900 -0.010355633900
  0.175966482000  0.079568002700  0.039293694800 -0.019721029900
  0.272167652000  0.135406181000  0.067201432700 -0.034020480800
  0.316858663000  0.189393102000  0.099605531500 -0.050460804700
  0.207047262000  0.103172741000  0.047324031800 -0.024446142900
  0.041133255400 -0.272737002000 -0.202306729000  0.116279099000
 -0.002916433230 -0.554549105000 -0.587189577000  0.348068748000
  0.001599981710 -0.313259933000 -0.238953559000  0.161917279000
 -0.000884656008 -0.021320435200  0.833143136000 -0.943035055000
  0.000508011584 -0.000924715548  0.488937428000 -0.539930247000
 -0.000255977672  0.001368741210  0.061540496700  0.958808875000
  0.000146286741 -0.000780374987 -0.014709795900  0.555702397000
 -0.000056046307  0.000321109613  0.005314877080  0.027469350900
  0.000018792702 -0.000117485811 -0.001869090190 -0.000932767035
 -0.000003899034  0.000024184219  0.000377273208  0.000279147519
  0.000001703947 -0.000010578137 -0.000164896479 -0.000118804089
   18    3
  9.2312607000e2  2.1446654000e2 44.329144000000
     103332.89000000
      24467.86700000
       7945.37050000
       3038.49910000
       1289.36830000
        588.42323000
        282.66282000
        140.82571000
         71.12935900
         36.90031400
         19.24830400
          9.52329600
          4.73932600
          2.05862600
          0.94527400
          0.38442400
          0.09166500
          0.03443100
  0.001675293790 -0.000866680451  0.000430783408
  0.004937939470 -0.002573834500  0.001281104900
  0.014933461900 -0.007861923010  0.003925765590
  0.042807749700 -0.022929534000  0.011481045000
  0.110958649000 -0.061223336100  0.030939868900
  0.237551789000 -0.137123580000  0.069880330700
  0.362106778000 -0.219380440000  0.113858300000
  0.312634518000 -0.143208610000  0.064416405800
  0.107598149000  0.251444140000 -0.196935489000
  0.006517663160  0.565087671000 -0.477150748000
  0.001000677990  0.298067920000 -0.063835012800
 -0.000590841286  0.036239829000  0.641402758000
  0.000218250229  0.000019633443  0.491738178000
 -0.000104807669  0.000299826680  0.059279896800
  0.000053641996 -0.000174618250 -0.003147950990
 -0.000016247263  0.000032685440  0.001186637000
  0.000004869039 -0.000012315809 -0.000270635589
 -0.000001989565  0.000004915403  0.000109125800
   14    2
  1.6805256000e2 26.904934000000
       3796.91570000
       1148.29080000
        447.89680000
        197.71898000
         93.87082700
         46.38902100
         23.39919700
         11.60572700
          5.64553300
          2.62745900
          1.16763200
          0.47101500
          0.16810600
        599.97297e-4
  0.001640139900 -0.000850070171
  0.010523477000 -0.005504019610
  0.047686041100 -0.025179068000
  0.151676220000 -0.081936277100
  0.321319121000 -0.173245690000
  0.404540811000 -0.194580740000
  0.234433481000  0.067927620100
  0.045789022100  0.456248821000
  0.001656528610  0.465050391000
  0.000398337531  0.140519810000
 -0.000087133758  0.005963758810
  0.000034932728  0.001206765100
 -0.000013654639 -0.000389417411
  0.000004436628  0.000131203150
    9    1
  7.583195800000
        417.51079000
        145.14952000
         61.83891700
         28.63831600
         13.75991600
          6.57261600
          3.03136600
          1.24225100
          0.50907331
  0.002455316400
  0.019024711000
  0.078814314000
  0.207286330000
  0.343275020000
  0.371277780000
  0.245095390000
  0.071754370000
  0.003503377100
Spectral Representation Operator
External primitive basis
    3
   21
    1027116.12000000
      80200.72340000
      11026.76770000
       2054.70888000
        170.33267900
         71.80516740
         30.12612100
          9.94131585
          5.88850690
          1.52638883
       8016.31622e-4
       1309.13811e-4
       4737.91401e-5
   40301880.00000000
    6035075.00000000
    1373422.80000000
     126902.41000000
      17861.88200000
       3226.03540000
        681.91890000
        305.92614000
   16
       4876.53917000
       1047.68322000
        311.11848600
         45.58713610
         21.04547300
         12.04786750
          6.89478747
          1.43585213
       5400.31533e-4
          0.08900000
     103332.89000000
      24467.86700000
       3038.49910000
        588.42323000
        140.82571000
         71.12935900
   12
        636.34161300
        184.48337200
         67.03214420
         13.33416630
          7.29020500
          1.52702291
       5791.13187e-4
       1896.41646e-4
          0.06210000
       3796.91570000
       1148.29080000
         23.39919700
    7
         81.80855900
         26.72294100
         10.24161000
          4.00907700
          1.43997810
          0.50907331
        417.51079000
Exchange
NoPair
End of Spectral Representation Operator

/Hg.NP-AIMP.Rakowitz.13s10p9d6f.5s4p4d2f.ECP.20el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
MERCURY (13s,10p,9d,6f) -> [5s,4p,4d,2f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*HG-NP-(d10s2)1S-(A3/91/9/51)
********************************************************************************
    20.0   3
* s-type functions
   13    5
    1158115.92000000
      90804.28090000
      12373.25630000
       2178.55879000
        173.05331500
         51.78996890
         32.01232400
          9.26570520
          6.32715382
          1.61880078
       9281.04636e-4
       1482.95166e-4
        533.53923e-4
 -0.000684198041  0.000197686200  0.000000000000  0.000000000000  0.000000000000
 -0.003110815791  0.000898785385  0.000000000000  0.000000000000  0.000000000000
 -0.012597880051  0.003641002554  0.000000000000  0.000000000000  0.000000000000
 -0.035826004541  0.010354835735  0.000000000000  0.000000000000  0.000000000000
  0.218668468539 -0.063713832664  0.000000000000  0.000000000000  0.000000000000
  0.046255251875 -0.012990357270  0.000000000000  0.000000000000  0.000000000000
 -0.672933056218  0.200668529803  0.000000000000  0.000000000000  0.000000000000
  0.057022914848 -0.017858559656  0.000000000000  0.000000000000  0.000000000000
  1.165566102235 -0.396596548691  0.000000000000  0.000000000000  0.000000000000
 -0.577927166271  0.329333766316  0.000000000000  0.000000000000  0.000000000000
 -0.758377026394  0.394158834575  1.000000000000  0.000000000000  0.000000000000
 -0.052682303900 -0.680797123079  0.000000000000  1.000000000000  0.000000000000
  0.017920687527 -0.497777629213  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       5093.74504000
       1087.97477000
        321.67511300
         47.48733010
         24.85191260
         12.57129190
          7.29259729
          1.52424202
       5836.09999e-4
          0.09300000
 -0.004996601769  0.000000000000  0.000000000000  0.000000000000
 -0.025983971426  0.000000000000  0.000000000000  0.000000000000
 -0.068189533154  0.000000000000  0.000000000000  0.000000000000
  0.234460881960  0.000000000000  0.000000000000  0.000000000000
  0.068547227126  0.000000000000  0.000000000000  0.000000000000
 -0.168795649060  0.000000000000  0.000000000000  0.000000000000
 -0.482044743108  0.000000000000  0.000000000000  0.000000000000
  0.769995826140  1.000000000000  0.000000000000  0.000000000000
  0.384268267688  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        669.21339700
        192.40433600
         69.59852270
         13.78897080
          7.57031498
          1.64547628
       6447.23373e-4
       2217.01058e-4
          0.07620000
  0.006876437791  0.000000000000  0.000000000000  0.000000000000
  0.039487722285  0.000000000000  0.000000000000  0.000000000000
  0.086345887068  0.000000000000  0.000000000000  0.000000000000
 -0.145380618431  0.000000000000  0.000000000000  0.000000000000
 -0.172524619581  0.000000000000  0.000000000000  0.000000000000
  0.429106166832  0.000000000000  0.000000000000  0.000000000000
  0.518431701294  1.000000000000  0.000000000000  0.000000000000
  0.234532532184  0.000000000000  1.000000000000  0.000000000000
  0.012951445558  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    6    2
         81.80855900
         26.72294100
         10.24161000
          4.00907700
          1.43997810
       5683.41943e-4
  0.079238069000  0.000000000000
  0.299738470000  0.000000000000
  0.474982040000  0.000000000000
  0.370336640000  0.000000000000
  0.112153790000  0.000000000000
  0.000000000000  1.000000000000
********************************************************************************
* Core AIMP: HG-NP-(d10s2)1S-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.6627900000e5  1.2304600000e5  3.7884100000e4  1.2971900000e4  4.7606300000e3  1.7809700000e3  7.3205600000e2  3.4723800000e2  1.2237200000e2 70.935600000000 16.203000000000
  8.993460000000  4.460280000000  1.968150000000
  0.036066692650  0.032054545350  0.051564918500  0.076949993500  0.100222982500  0.134561615500  0.237608379500  0.214332469000  0.316088666000  0.508658910000  0.628854230000
  0.529499705000  0.125356764500  0.008180126050
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  6.1270154000e3  1.0981565000e3  2.6576623000e2 61.192682000000
   41661580.00000000
    6238626.00000000
    1419739.90000000
     402126.75000000
     131182.27000000
      47352.80800000
      18464.39500000
       7654.49970000
       3334.81590000
       1512.63630000
        705.03666000
        317.36305000
        162.05091000
         81.83509100
         36.85495100
         19.41090800
          8.41209900
          4.32245800
          1.82911750
          0.82753250
          0.16134020
          0.05911220
  0.001400189000 -0.000545725910  0.000261793339 -0.000131200780
  0.003281413490 -0.001282522000  0.000615614077 -0.000308544300
  0.007427900880 -0.002915423200  0.001400000690 -0.000701849110
  0.015005715900 -0.005940608400  0.002858444290 -0.001433272100
  0.029421698900 -0.011794034000  0.005679930670 -0.002850367200
  0.055362380800 -0.022733256000  0.011017849900 -0.005530959000
  0.101634400000 -0.043152977000  0.020945060900 -0.010542146000
  0.176340559000 -0.080081373000  0.039613962800 -0.019951395000
  0.271510219000 -0.135563090000  0.067387538700 -0.034221709000
  0.315608349000 -0.188500280000  0.099248131500 -0.050461740000
  0.206972159000 -0.102295760000  0.046682061800 -0.024115376000
  0.041680241900  0.270495020000 -0.201124799000  0.115917830000
 -0.002750029990  0.554223510000 -0.586850557000  0.349528760000
  0.001550286690  0.314850210000 -0.240768339000  0.162616940000
 -0.000865072567  0.021596788000  0.831924986000 -0.945167599000
  0.000502738828  0.000936656651  0.489097778000 -0.544241910000
 -0.000260038879 -0.001428481500  0.063722986700  0.955365329000
  0.000153553109  0.000847630491 -0.016066254900  0.560614950000
 -0.000061641377 -0.000365797950  0.006085321570  0.029654693000
  0.000021259124  0.000137373600 -0.002194931890 -0.000942715149
 -0.000004441895 -0.000028660794  0.000448535358  0.000304019120
  0.000001787628  0.000011683444 -0.000182406279 -0.000110579300
   18    3
  9.5230994000e2  2.2264550000e2 46.722213000000
     107631.33000000
      25485.51400000
       8275.92980000
       3165.06880000
       1343.20240000
        613.10426000
        294.61755000
        146.88179000
         74.34667200
         38.59390400
         20.16062300
          9.98840600
          4.99359700
          2.19490000
          1.01754300
          0.41953700
          0.11524300
          0.04222300
  0.001706325380 -0.000884877063 -0.000441671742
  0.004984910450 -0.002604855710 -0.001302018010
  0.014952616800 -0.007891395520 -0.003957141120
  0.042561048600 -0.022853907100 -0.011491533100
  0.109847459000 -0.060733141200 -0.030820864200
  0.235118168000 -0.135952090000 -0.069565950300
  0.360171256000 -0.218446081000 -0.113836661000
  0.314765387000 -0.146934270000 -0.066948214300
  0.110976909000  0.242160981000  0.191310811000
  0.007303065130  0.564089132000  0.478370062000
  0.000954664840  0.305979221000  0.078059229400
 -0.000571378774  0.038666662100 -0.636128583000
  0.000212398828 -0.000128874420 -0.500147502000
 -0.000104247139  0.000366366361 -0.062683716300
  0.000054893636 -0.000213697941  0.003221508920
 -0.000017541399  0.000047918354 -0.001238687410
  0.000005581474 -0.000016915708  0.000326966592
 -0.000002079664  0.000006296986 -0.000115806811
   14    2
  1.7477559000e2 28.706486000000
       4110.48030000
       1243.37550000
        485.27684000
        214.51461000
        102.09188000
         50.61056400
         25.68083700
         12.83943300
          6.31090900
          3.00939500
          1.36074200
          0.56524000
          0.20941700
          0.07758736
  0.001519326990 -0.000792656652
  0.009650014970 -0.005082076010
  0.043826992900 -0.023278102000
  0.141106240000 -0.076696504200
  0.306743379000 -0.166759580000
  0.403828599000 -0.200618660000
  0.253464149000  0.033819922100
  0.056499605800  0.428834971000
  0.002275262290  0.482753841000
  0.000557747378  0.167171420000
 -0.000143926030  0.010946229000
  0.000060390228  0.000912933562
 -0.000024005672 -0.000266024021
  0.000007805948  0.000091243917
    9    1
  8.779436800000
        442.83436000
        154.10907000
         65.78022400
         30.53980600
         14.73248300
          7.07772800
          3.29154600
          1.36774400
          0.56834194
  0.002351397590
  0.018290454900
  0.076495044800
  0.203432699000
  0.341427409000
  0.373064499000
  0.246682779000
  0.071152384800
  0.003205136390
Spectral Representation Operator
External primitive basis
    3
   21
    1158115.92000000
      90804.28090000
      12373.25630000
       2178.55879000
        173.05331500
         51.78996890
         32.01232400
          9.26570520
          6.32715382
          1.61880078
       9281.04636e-4
       1482.95166e-4
        533.53923e-4
   41661580.00000000
    6238626.00000000
    1419739.90000000
     131182.27000000
      18464.39500000
       3334.81590000
        705.03666000
        317.36305000
   16
       5093.74504000
       1087.97477000
        321.67511300
         47.48733010
         24.85191260
         12.57129190
          7.29259729
          1.52424202
       5836.09999e-4
          0.09300000
     107631.33000000
      25485.51400000
       3165.06880000
        613.10426000
        146.88179000
         74.34667200
   12
        669.21339700
        192.40433600
         69.59852270
         13.78897080
          7.57031498
          1.64547628
       6447.23373e-4
       2217.01058e-4
          0.07620000
       4110.48030000
       1243.37550000
         25.68083700
    7
         81.80855900
         26.72294100
         10.24161000
          4.00907700
          1.43997810
       5683.41943e-4
        442.83436000
Exchange
NoPair
End of Spectral Representation Operator

/Hg.NP-AIMP.Rakowitz.13s10p9d1f.5s4p4d1f.ECP.20el.
F. Rakowitz, C.M. Marian, L. Seijo. J. Chem. Phys. 111 (1999) 10436-10443. doi:10.1063/1.480398
MERCURY (13s,10p,9d,1f) -> [5s,4p,4d,1f]
********************************************************************************
*core [Kr,4d,4f] (A3/91/9/51)
*HG-NP-(d10s2)1S-(A3/91/9/51)
********************************************************************************
    20.0   3
* s-type functions
   13    5
    1158115.92000000
      90804.28090000
      12373.25630000
       2178.55879000
        173.05331500
         51.78996890
         32.01232400
          9.26570520
          6.32715382
          1.61880078
       9281.04636e-4
       1482.95166e-4
        533.53923e-4
 -0.000684198041  0.000197686200  0.000000000000  0.000000000000  0.000000000000
 -0.003110815791  0.000898785385  0.000000000000  0.000000000000  0.000000000000
 -0.012597880051  0.003641002554  0.000000000000  0.000000000000  0.000000000000
 -0.035826004541  0.010354835735  0.000000000000  0.000000000000  0.000000000000
  0.218668468539 -0.063713832664  0.000000000000  0.000000000000  0.000000000000
  0.046255251875 -0.012990357270  0.000000000000  0.000000000000  0.000000000000
 -0.672933056218  0.200668529803  0.000000000000  0.000000000000  0.000000000000
  0.057022914848 -0.017858559656  0.000000000000  0.000000000000  0.000000000000
  1.165566102235 -0.396596548691  0.000000000000  0.000000000000  0.000000000000
 -0.577927166271  0.329333766316  0.000000000000  0.000000000000  0.000000000000
 -0.758377026394  0.394158834575  1.000000000000  0.000000000000  0.000000000000
 -0.052682303900 -0.680797123079  0.000000000000  1.000000000000  0.000000000000
  0.017920687527 -0.497777629213  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   10    4
       5093.74504000
       1087.97477000
        321.67511300
         47.48733010
         24.85191260
         12.57129190
          7.29259729
          1.52424202
       5836.09999e-4
          0.09300000
 -0.004996601769  0.000000000000  0.000000000000  0.000000000000
 -0.025983971426  0.000000000000  0.000000000000  0.000000000000
 -0.068189533154  0.000000000000  0.000000000000  0.000000000000
  0.234460881960  0.000000000000  0.000000000000  0.000000000000
  0.068547227126  0.000000000000  0.000000000000  0.000000000000
 -0.168795649060  0.000000000000  0.000000000000  0.000000000000
 -0.482044743108  0.000000000000  0.000000000000  0.000000000000
  0.769995826140  1.000000000000  0.000000000000  0.000000000000
  0.384268267688  0.000000000000  1.000000000000  0.000000000000
  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
    9    4
        669.21339700
        192.40433600
         69.59852270
         13.78897080
          7.57031498
          1.64547628
       6447.23373e-4
       2217.01058e-4
          0.07620000
  0.006876437791  0.000000000000  0.000000000000  0.000000000000
  0.039487722285  0.000000000000  0.000000000000  0.000000000000
  0.086345887068  0.000000000000  0.000000000000  0.000000000000
 -0.145380618431  0.000000000000  0.000000000000  0.000000000000
 -0.172524619581  0.000000000000  0.000000000000  0.000000000000
  0.429106166832  0.000000000000  0.000000000000  0.000000000000
  0.518431701294  1.000000000000  0.000000000000  0.000000000000
  0.234532532184  0.000000000000  1.000000000000  0.000000000000
  0.012951445558  0.000000000000  0.000000000000  1.000000000000
* f-type functions
    1    1
       5683.41943e-4
  1.000000000000
********************************************************************************
* Core AIMP: HG-NP-(d10s2)1S-[KR,4D,4F]
*
* Local Potential Parameters : (ECP convention)
*                              A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.6627900000e5  1.2304600000e5  3.7884100000e4  1.2971900000e4  4.7606300000e3  1.7809700000e3  7.3205600000e2  3.4723800000e2  1.2237200000e2 70.935600000000 16.203000000000
  8.993460000000  4.460280000000  1.968150000000
  0.036066692650  0.032054545350  0.051564918500  0.076949993500  0.100222982500  0.134561615500  0.237608379500  0.214332469000  0.316088666000  0.508658910000  0.628854230000
  0.529499705000  0.125356764500  0.008180126050
M2
  0
COREREP
 1.0
PROJOP
    3
   22    4
  6.1270154000e3  1.0981565000e3  2.6576623000e2 61.192682000000
   41661580.00000000
    6238626.00000000
    1419739.90000000
     402126.75000000
     131182.27000000
      47352.80800000
      18464.39500000
       7654.49970000
       3334.81590000
       1512.63630000
        705.03666000
        317.36305000
        162.05091000
         81.83509100
         36.85495100
         19.41090800
          8.41209900
          4.32245800
          1.82911750
          0.82753250
          0.16134020
          0.05911220
  0.001400189000 -0.000545725910  0.000261793339 -0.000131200780
  0.003281413490 -0.001282522000  0.000615614077 -0.000308544300
  0.007427900880 -0.002915423200  0.001400000690 -0.000701849110
  0.015005715900 -0.005940608400  0.002858444290 -0.001433272100
  0.029421698900 -0.011794034000  0.005679930670 -0.002850367200
  0.055362380800 -0.022733256000  0.011017849900 -0.005530959000
  0.101634400000 -0.043152977000  0.020945060900 -0.010542146000
  0.176340559000 -0.080081373000  0.039613962800 -0.019951395000
  0.271510219000 -0.135563090000  0.067387538700 -0.034221709000
  0.315608349000 -0.188500280000  0.099248131500 -0.050461740000
  0.206972159000 -0.102295760000  0.046682061800 -0.024115376000
  0.041680241900  0.270495020000 -0.201124799000  0.115917830000
 -0.002750029990  0.554223510000 -0.586850557000  0.349528760000
  0.001550286690  0.314850210000 -0.240768339000  0.162616940000
 -0.000865072567  0.021596788000  0.831924986000 -0.945167599000
  0.000502738828  0.000936656651  0.489097778000 -0.544241910000
 -0.000260038879 -0.001428481500  0.063722986700  0.955365329000
  0.000153553109  0.000847630491 -0.016066254900  0.560614950000
 -0.000061641377 -0.000365797950  0.006085321570  0.029654693000
  0.000021259124  0.000137373600 -0.002194931890 -0.000942715149
 -0.000004441895 -0.000028660794  0.000448535358  0.000304019120
  0.000001787628  0.000011683444 -0.000182406279 -0.000110579300
   18    3
  9.5230994000e2  2.2264550000e2 46.722213000000
     107631.33000000
      25485.51400000
       8275.92980000
       3165.06880000
       1343.20240000
        613.10426000
        294.61755000
        146.88179000
         74.34667200
         38.59390400
         20.16062300
          9.98840600
          4.99359700
          2.19490000
          1.01754300
          0.41953700
          0.11524300
          0.04222300
  0.001706325380 -0.000884877063 -0.000441671742
  0.004984910450 -0.002604855710 -0.001302018010
  0.014952616800 -0.007891395520 -0.003957141120
  0.042561048600 -0.022853907100 -0.011491533100
  0.109847459000 -0.060733141200 -0.030820864200
  0.235118168000 -0.135952090000 -0.069565950300
  0.360171256000 -0.218446081000 -0.113836661000
  0.314765387000 -0.146934270000 -0.066948214300
  0.110976909000  0.242160981000  0.191310811000
  0.007303065130  0.564089132000  0.478370062000
  0.000954664840  0.305979221000  0.078059229400
 -0.000571378774  0.038666662100 -0.636128583000
  0.000212398828 -0.000128874420 -0.500147502000
 -0.000104247139  0.000366366361 -0.062683716300
  0.000054893636 -0.000213697941  0.003221508920
 -0.000017541399  0.000047918354 -0.001238687410
  0.000005581474 -0.000016915708  0.000326966592
 -0.000002079664  0.000006296986 -0.000115806811
   14    2
  1.7477559000e2 28.706486000000
       4110.48030000
       1243.37550000
        485.27684000
        214.51461000
        102.09188000
         50.61056400
         25.68083700
         12.83943300
          6.31090900
          3.00939500
          1.36074200
          0.56524000
          0.20941700
          0.07758736
  0.001519326990 -0.000792656652
  0.009650014970 -0.005082076010
  0.043826992900 -0.023278102000
  0.141106240000 -0.076696504200
  0.306743379000 -0.166759580000
  0.403828599000 -0.200618660000
  0.253464149000  0.033819922100
  0.056499605800  0.428834971000
  0.002275262290  0.482753841000
  0.000557747378  0.167171420000
 -0.000143926030  0.010946229000
  0.000060390228  0.000912933562
 -0.000024005672 -0.000266024021
  0.000007805948  0.000091243917
    9    1
  8.779436800000
        442.83436000
        154.10907000
         65.78022400
         30.53980600
         14.73248300
          7.07772800
          3.29154600
          1.36774400
          0.56834194
  0.002351397590
  0.018290454900
  0.076495044800
  0.203432699000
  0.341427409000
  0.373064499000
  0.246682779000
  0.071152384800
  0.003205136390
Spectral Representation Operator
External primitive basis
    3
   21
    1158115.92000000
      90804.28090000
      12373.25630000
       2178.55879000
        173.05331500
         51.78996890
         32.01232400
          9.26570520
          6.32715382
          1.61880078
       9281.04636e-4
       1482.95166e-4
        533.53923e-4
   41661580.00000000
    6238626.00000000
    1419739.90000000
     131182.27000000
      18464.39500000
       3334.81590000
        705.03666000
        317.36305000
   16
       5093.74504000
       1087.97477000
        321.67511300
         47.48733010
         24.85191260
         12.57129190
          7.29259729
          1.52424202
       5836.09999e-4
          0.09300000
     107631.33000000
      25485.51400000
       3165.06880000
        613.10426000
        146.88179000
         74.34667200
   12
        669.21339700
        192.40433600
         69.59852270
         13.78897080
          7.57031498
          1.64547628
       6447.23373e-4
       2217.01058e-4
          0.07620000
       4110.48030000
       1243.37550000
         25.68083700
    7
         81.80855900
         26.72294100
         10.24161000
          4.00907700
          1.43997810
       5683.41943e-4
        442.83436000
Exchange
NoPair
End of Spectral Representation Operator

********************************************************************************
*       C.3.3. f-Elements
********************************************************************************
*
*       Third-Order-Douglas-Kroll-Hess Relativistic Core AIMPs
*
********************************************************************************
*         C.3.3.1.a. Lanthanide Elements (core [Kr,4d])
********************************************************************************

/Ce.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.12el.
T. Tsuchiya, T. Nakajima, K. Hirao, L. Seijo. Chem. Phys. Lett. 361 (2002) 334-340. doi:10.1016/s0009-2614(02)00953-3
CERIUM (14s,10p,9d,8f) -> [2s,1p,1d,1f]
********************************************************************************
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Ce(1G)
********************************************************************************
    12.0   3
* s-type functions
   14    2
     808464.23410000
      78407.66939000
      12470.34708000
       2673.14869000
        719.34361720
         94.62824943
         54.35134271
         12.86334004
      26742.75378e-4
      16550.61744e-4
      52778.63716e-5
      24672.49335e-5
       5442.27053e-5
       2149.92905e-5
  0.000207093390  0.000058789376
  0.000937723400  0.000266202620
  0.003728081000  0.001058400500
  0.013068349000  0.003710531300
  0.029377893000  0.008344814500
 -0.104748560000 -0.029908187000
 -0.097816486000 -0.027896819000
  0.554449680000  0.161920920000
 -0.850655090000 -0.274072820000
 -0.290946080000 -0.096426419000
  0.890924460000  0.410154040000
  0.467723500000  0.358630000000
  0.009881126700 -0.762655310000
 -0.002122982900 -0.461406290000
* p-type functions
   10    1
       2310.61263400
        487.49594370
        145.44617300
         21.22410086
      99493.52538e-4
      50611.46404e-4
          2.56801167
      60900.24622e-5
      27669.90368e-5
      11032.71842e-5
 -0.003425627300
 -0.021062876000
 -0.056277501000
  0.178157630000
  0.104797860000
 -0.230692520000
 -0.390285890000
  0.585342090000
  0.496848220000
  0.077433644000
* d-type functions
    9    1
        280.65923580
         80.56424215
         28.50460667
      51915.20739e-4
      26020.31821e-4
      56335.27246e-5
      23082.22678e-5
       8974.87633e-5
       3518.12965e-5
  0.005643940100
  0.031482719000
  0.065253796000
 -0.124507240000
 -0.145829020000
  0.327902390000
  0.506318050000
  0.313401460000
  0.048071731000
* f-type functions
    8    1
        104.22502120
         34.96836901
         13.68705242
      58026.36647e-4
      24826.63438e-4
      10358.04833e-4
      40897.63496e-5
       1494.70907e-4
  0.005564944000
  0.037297930000
  0.132618530000
  0.283872480000
  0.383580440000
  0.345173080000
  0.195406920000
  0.051080118000
********************************************************************************
* Core AIMP:Ce DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.8406941000e5  9.4892101800e4  2.7278028100e4  8.9121361400e3  3.1677993000e3  1.1513754400e3  4.2805693000e2  1.9130873900e2 63.552855700000 32.045822500000  5.890125740000
  3.243560890000  1.630034960000
  0.039739534187  0.038660346277  0.064642417085  0.103223986560  0.146248151381  0.181169739194  0.319819183662  0.404186517655  0.357451871102  0.916211915652  0.774937619991
  0.442435171199  0.044606879389
M2
  0
COREREP
 1.0
PROJOP
    2
   27    4
  2.9874802000e3  4.8642468000e2  1.0819310400e2 23.377972000000
34002773000.00000000
 3682185500.00000000
  633062420.00000000
  135930590.00000000
   33661849.00000000
    9454645.50000000
    2943490.80000000
     984448.48000000
     347440.49000000
     127846.12000000
      48945.12000000
      19242.12700000
       7793.96690000
       3263.90510000
       1405.76170000
        624.32795000
        286.05480000
        117.42270000
         53.71375600
         21.26821000
         10.89849400
          4.17198070
          2.11760820
          0.61848114
          0.29824948
        562.98194e-4
        240.44171e-4
  0.000003286498 -0.000001165451  0.000000531422  0.000000250817
  0.000012181210 -0.000004316798  0.000001967980  0.000000928830
  0.000036135772 -0.000012796634  0.000005834049  0.000002753379
  0.000096653200 -0.000034230158  0.000015603190  0.000007364164
  0.000236155292 -0.000083609104  0.000038118599  0.000017989746
  0.000528259624 -0.000187250507  0.000085358754  0.000040288410
  0.001126654809 -0.000399495795  0.000182206140  0.000085992116
  0.002341118418 -0.000833344869  0.000380030589  0.000179404799
  0.004821814238 -0.001719582777  0.000785258198  0.000370644558
  0.009857310177 -0.003552117951  0.001621952996  0.000766083795
  0.020355006159 -0.007385402599  0.003384036892  0.001597975690
  0.042909770336 -0.015998217781  0.007335501282  0.003469220778
  0.089635167701 -0.034354291531  0.015894678961  0.007518170553
  0.178422141395 -0.074186115986  0.034540357915  0.016400548897
  0.303615682374 -0.142066108059  0.068060526832  0.032414991797
  0.342636642679 -0.211627567109  0.104762719742  0.050529400683
  0.176072651377 -0.080628978898  0.041803187897  0.019983413875
  0.018826835147  0.460348173711 -0.355670039124 -0.187784818822
 -0.002193089317  0.601284411785 -0.631775208444 -0.368098357691
  0.001021022208  0.118646398379  0.331021989185  0.282234298230
 -0.000680592965 -0.019980291727  0.892312927802  1.042976493458
  0.000334159743  0.007486110198  0.143560419646 -0.426979987322
 -0.000174651281 -0.003894992547 -0.022747213944 -0.968708363924
  0.000063594666  0.001335669382  0.006316733284 -0.079540369501
 -0.000033004042 -0.000677166651 -0.003159230492  0.019901596875
  0.000008433853  0.000173655088  0.000766093688 -0.003976972375
 -0.000003936969 -0.000081011413 -0.000356601119  0.001795871089
   23    3
  4.3553430000e2 91.590078000000 17.736839000000
   49656588.00000000
    7195682.30000000
    1503242.40000000
     381188.93000000
     113302.73000000
      38093.30300000
      14078.25600000
       5704.80890000
       2477.83240000
       1140.94150000
        553.10796000
        278.88026000
        145.20820000
         77.49977600
         41.79528200
         22.29816200
         12.09928600
          6.46333540
          3.33011760
          1.69137570
          0.74891759
          0.34066318
          0.14035439
  0.000003404983 -0.000001635601 -0.000000756931
  0.000011202623 -0.000005383364 -0.000002491464
  0.000033253171 -0.000015989803 -0.000007401661
  0.000093698154 -0.000045104895 -0.000020881066
  0.000254613348 -0.000122754019 -0.000056859654
  0.000708644605 -0.000342499168 -0.000158668319
  0.002003431386 -0.000971586455 -0.000450661156
  0.005694663260 -0.002777733786 -0.001289121489
  0.016274723886 -0.008012619860 -0.003728894269
  0.043992012692 -0.022039502891 -0.010285517915
  0.106640039254 -0.055030553728 -0.025873345786
  0.214299378501 -0.115580759430 -0.054801802547
  0.321999587747 -0.183152589096 -0.088214096270
  0.307204397851 -0.160707239207 -0.074614145383
  0.148383638962  0.082466350593  0.065714709456
  0.024999180825  0.443670237810  0.314485017399
  0.000628024756  0.453580017761  0.350252807103
  0.000070647736  0.145426449282 -0.178728258522
 -0.000157859139  0.010569694948 -0.640519924702
  0.000004516034  0.000842326056 -0.369781866941
 -0.000009923339 -0.000157251099 -0.039278153675
  0.000004386171  0.000042188724  0.001280162589
 -0.000001047847 -0.000012130218 -0.000302483007
   15    2
 67.804828000000  9.331103000000
       8587.17530000
       2529.41370000
       1339.38750000
        545.96423000
        230.85975000
        105.35430000
         50.95481300
         25.36026000
         12.87101100
          6.44608930
          3.14306310
          1.47120400
          0.60389343
          0.22905715
        790.96585e-4
  0.000087005444 -0.000039503768
  0.000352964352 -0.000163826741
  0.001276644307 -0.000578733984
  0.008382433647 -0.003877757725
  0.037091358206 -0.017172222109
  0.118639780658 -0.056256361357
  0.263782021463 -0.124977460793
  0.384387642133 -0.176072011117
  0.307874631708 -0.067409324428
  0.098909858549  0.276307361753
  0.006856209438  0.510237883237
  0.000396964132  0.320465922033
 -0.000167950631  0.050659345321
  0.000060713895 -0.001373801709
 -0.000014154285  0.000643806614
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
* Spin-Orbit-Core basis set:
*
* /Ce.DK3.Tsuchiya.27s23p15d10f.6s4p3d1f.
* T. Tsuchiya, M. Abe, T. Nakajima, K. Hirao. J. Chem. Phys. 115 (2001) 4463-4472. doi:10.1063/1.1390515
********************************************************************************
    3
* s-type functions
   27    6    4
34002773000.00000000
 3682185500.00000000
  633062420.00000000
  135930590.00000000
   33661849.00000000
    9454645.50000000
    2943490.80000000
     984448.48000000
     347440.49000000
     127846.12000000
      48945.12000000
      19242.12700000
       7793.96690000
       3263.90510000
       1405.76170000
        624.32795000
        286.05480000
        117.42270000
         53.71375600
         21.26821000
         10.89849400
          4.17198070
          2.11760820
          0.61848114
          0.29824948
        562.98194e-4
        240.44171e-4
  0.000003300000 -0.000001200000  0.000000500000  0.000000300000  0.000000100000  0.000000000000
  0.000012200000 -0.000004300000  0.000002000000  0.000000900000  0.000000400000 -0.000000100000
  0.000036100000 -0.000012800000  0.000005800000  0.000002800000  0.000001100000 -0.000000300000
  0.000096700000 -0.000034200000  0.000015600000  0.000007400000  0.000003000000 -0.000000800000
  0.000236200000 -0.000083600000  0.000038100000  0.000018000000  0.000007300000 -0.000002100000
  0.000528300000 -0.000187300000  0.000085400000  0.000040300000  0.000016300000 -0.000004600000
  0.001126700000 -0.000399500000  0.000182200000  0.000086000000  0.000034800000 -0.000009900000
  0.002341100000 -0.000833300000  0.000380000000  0.000179400000  0.000072700000 -0.000020600000
  0.004821800000 -0.001719600000  0.000785300000  0.000370600000  0.000150100000 -0.000042600000
  0.009857300000 -0.003552100000  0.001622000000  0.000766100000  0.000310500000 -0.000088100000
  0.020355000000 -0.007385400000  0.003384000000  0.001598000000  0.000646900000 -0.000183700000
  0.042909800000 -0.015998200000  0.007335500000  0.003469200000  0.001407300000 -0.000399100000
  0.089635200000 -0.034354300000  0.015894700000  0.007518200000  0.003043100000 -0.000864400000
  0.178422100000 -0.074186100000  0.034540400000  0.016400500000  0.006662800000 -0.001888900000
  0.303615700000 -0.142066100000  0.068060500000  0.032415000000  0.013129000000 -0.003732100000
  0.342636600000 -0.211627600000  0.104762700000  0.050529400000  0.020638400000 -0.005847400000
  0.176072600000 -0.080629000000  0.041803200000  0.019983400000  0.007961600000 -0.002288000000
  0.018826800000  0.460348200000 -0.355670000000 -0.187784800000 -0.077578100000  0.022167300000
 -0.002193100000  0.601284400000 -0.631775200000 -0.368098400000 -0.157531300000  0.044877100000
  0.001021000000  0.118646400000  0.331022000000  0.282234300000  0.133918000000 -0.038310300000
 -0.000680600000 -0.019980300000  0.892312900000  1.042976500000  0.515321900000 -0.152066200000
  0.000334200000  0.007486100000  0.143560400000 -0.426980000000 -0.300840500000  0.095752700000
 -0.000174700000 -0.003895000000 -0.022747200000 -0.968708400000 -0.927549400000  0.300057800000
  0.000063600000  0.001335700000  0.006316700000 -0.079540400000  0.644145000000 -0.268641100000
 -0.000033000000 -0.000677200000 -0.003159200000  0.019901600000  0.719349000000 -0.485445200000
  0.000008400000  0.000173700000  0.000766100000 -0.003977000000  0.029616300000  0.650264300000
 -0.000003900000 -0.000081000000 -0.000356600000  0.001795900000 -0.009419300000  0.552129300000
* p-type functions
   23    4    3
   49656588.00000000
    7195682.30000000
    1503242.40000000
     381188.93000000
     113302.73000000
      38093.30300000
      14078.25600000
       5704.80890000
       2477.83240000
       1140.94150000
        553.10796000
        278.88026000
        145.20820000
         77.49977600
         41.79528200
         22.29816200
         12.09928600
          6.46333540
          3.33011760
          1.69137570
          0.74891759
          0.34066318
          0.14035439
  0.000003400000 -0.000001600000 -0.000000800000 -0.000000300000
  0.000011200000 -0.000005400000 -0.000002500000 -0.000000900000
  0.000033300000 -0.000016000000 -0.000007400000 -0.000002700000
  0.000093700000 -0.000045100000 -0.000020900000 -0.000007700000
  0.000254600000 -0.000122800000 -0.000056900000 -0.000021100000
  0.000708600000 -0.000342500000 -0.000158700000 -0.000058700000
  0.002003400000 -0.000971600000 -0.000450700000 -0.000167300000
  0.005694700000 -0.002777700000 -0.001289100000 -0.000477000000
  0.016274700000 -0.008012600000 -0.003728900000 -0.001386700000
  0.043992000000 -0.022039500000 -0.010285500000 -0.003807200000
  0.106640000000 -0.055030600000 -0.025873300000 -0.009649000000
  0.214299400000 -0.115580800000 -0.054801800000 -0.020322700000
  0.321999600000 -0.183152600000 -0.088214100000 -0.033167200000
  0.307204400000 -0.160707200000 -0.074614100000 -0.027149700000
  0.148383600000  0.082466400000  0.065714700000  0.025598600000
  0.024999200000  0.443670200000  0.314485000000  0.129527100000
  0.000628000000  0.453580000000  0.350252800000  0.138093900000
  0.000070600000  0.145426500000 -0.178728300000 -0.100770900000
 -0.000157900000  0.010569700000 -0.640519900000 -0.380904700000
  0.000004500000  0.000842300000 -0.369781900000 -0.199502000000
 -0.000009900000 -0.000157300000 -0.039278200000  0.466199700000
  0.000004400000  0.000042200000  0.001280200000  0.606469300000
 -0.000001000000 -0.000012100000 -0.000302500000  0.150074200000
* d-type functions
   15    3    2
       8587.17530000
       2529.41370000
       1339.38750000
        545.96423000
        230.85975000
        105.35430000
         50.95481300
         25.36026000
         12.87101100
          6.44608930
          3.14306310
          1.47120400
          0.60389343
          0.22905715
        790.96585e-4
  0.000087000000 -0.000039500000  0.000010400000
  0.000353000000 -0.000163800000  0.000044000000
  0.001276600000 -0.000578700000  0.000151700000
  0.008382400000 -0.003877800000  0.001032700000
  0.037091400000 -0.017172200000  0.004544000000
  0.118639800000 -0.056256400000  0.015020400000
  0.263782000000 -0.124977500000  0.033147400000
  0.384387600000 -0.176072000000  0.046995500000
  0.307874600000 -0.067409300000  0.013063700000
  0.098909900000  0.276307400000 -0.088135700000
  0.006856200000  0.510237900000 -0.165817900000
  0.000397000000  0.320465900000 -0.045323200000
 -0.000168000000  0.050659300000  0.326573000000
  0.000060700000 -0.001373800000  0.554935000000
 -0.000014200000  0.000643800000  0.321939700000
* f-type functions
   10    1    0
        375.91040000
        129.80203000
         56.16742900
         26.23929600
         12.59157300
          6.10424420
          2.88697830
          1.30715660
          0.55124383
          0.20550452
 -0.000284700000
 -0.002443000000
 -0.012693000000
 -0.044196400000
 -0.119938200000
 -0.237782700000
 -0.336731200000
 -0.343723600000
 -0.241026900000
 -0.093665400000
End of Spectral Representation Operator

/Pr.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.13el.
T. Tsuchiya, T. Nakajima, K. Hirao, L. Seijo. Chem. Phys. Lett. 361 (2002) 334-340. doi:10.1016/s0009-2614(02)00953-3
PRASEODYMIUM (14s,10p,9d,8f) -> [2s,1p,1d,1f]
********************************************************************************
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Pr(4K)
********************************************************************************
    13.0   3
* s-type functions
   14    2
     821064.27830000
      82091.19488000
      13441.05620000
       2895.53242400
        765.53416830
         99.63620957
         58.37536185
         13.52972408
      26688.40875e-4
      90689.67046e-5
      54984.94032e-5
      23869.34257e-5
       5123.63684e-5
        189.55841e-4
  0.000216997440  0.000060833068
  0.000945864260  0.000265158350
  0.003642997500  0.001021384500
  0.012814142000  0.003592700800
  0.029781506000  0.008354839800
 -0.098824124000 -0.027896439000
 -0.104311920000 -0.029310728000
  0.552969390000  0.159218740000
 -1.030157900000 -0.326061670000
 -0.218588440000 -0.095846633000
  1.072489000000  0.513074670000
  0.400459350000  0.295201390000
  0.005141529700 -0.871425540000
 -0.000978303710 -0.342731120000
* p-type functions
   10    1
       2383.31100600
        500.46766720
        149.76358650
         22.25693611
      97512.96666e-4
      55795.64089e-4
      27015.65272e-4
      63200.65716e-5
      27815.99912e-5
      10739.02924e-5
 -0.003513544800
 -0.021536493000
 -0.056252161000
  0.180050030000
  0.127346780000
 -0.249591690000
 -0.392820680000
  0.602776900000
  0.492477790000
  0.064392302000
* d-type functions
    9    1
        293.03015760
         84.19686022
         29.98342334
      54364.76236e-4
      27483.41819e-4
      58321.49874e-5
      23487.92334e-5
       9114.35892e-5
       3248.98696e-5
  0.005505778100
  0.030600583000
  0.063197494000
 -0.123779970000
 -0.135901040000
  0.332890890000
  0.498005280000
  0.321622770000
  0.051528872000
* f-type functions
    8    1
        102.47441300
         34.35827849
         13.56639321
      58215.64645e-4
      25220.76842e-4
      10692.30612e-4
      43299.72266e-5
      15958.95576e-5
  0.006758884800
  0.043714046000
  0.148107690000
  0.299384180000
  0.385000070000
  0.325442120000
  0.174164190000
  0.043995179000
********************************************************************************
* Core AIMP:Pr DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.9077582600e5  9.7586244400e4  2.8310692300e4  9.2644079200e3  3.3119251500e3  1.2212320900e3  4.5644584100e2  2.0308025900e2 67.975510500000  6.217004500000 33.846575100000
  3.444686630000  1.740291620000
  0.037170868388  0.035666700185  0.059705883371  0.095369521245  0.133508326399  0.164261204601  0.290117385181  0.378492724954  0.320259723244  0.713108679467  0.858119643309
  0.409856436220  0.042824441897
M2
  0
COREREP
 1.0
PROJOP
    2
   27    4
  3.1018830000e3  5.0763794000e2  1.1346532600e2 24.496440000000
36037252000.00000000
 3585055400.00000000
  612614180.00000000
  133624760.00000000
   33510357.00000000
    9483463.30000000
    2921844.30000000
     979418.90000000
     347661.51000000
     127316.57000000
      48527.83500000
      19156.20200000
       7788.00240000
       3252.71250000
       1398.72620000
        619.28923000
        282.80669000
        118.90751000
         54.56244900
         21.57969900
         11.10113100
          4.27014540
          2.16034320
          0.62539129
          0.29259626
        520.90636e-4
        221.04786e-4
  0.000003479931 -0.000001239314  0.000000567003  0.000000268652
  0.000013585043 -0.000004834355  0.000002211283  0.000001047741
  0.000039259800 -0.000013960678  0.000006386111  0.000003025616
  0.000103562400 -0.000036827470  0.000016842816  0.000007980340
  0.000249835629 -0.000088819122  0.000040630189  0.000019249280
  0.000562947838 -0.000200355672  0.000091634466  0.000043420293
  0.001210380695 -0.000431013714  0.000197249699  0.000093450466
  0.002469189989 -0.000882537238  0.000403779237  0.000191373739
  0.005094307077 -0.001825083916  0.000836364284  0.000396264798
  0.010501345953 -0.003800378234  0.001740928088  0.000825639605
  0.021547602905 -0.007861578871  0.003615949975  0.001713760390
  0.044776424802 -0.016781733151  0.007719292147  0.003666658479
  0.093453602586 -0.036089317324  0.016770875885  0.007960305754
  0.185292919179 -0.077683626698  0.036296720751  0.017318335900
  0.310208598625 -0.147347111324  0.071038063512  0.033946377803
  0.340186948492 -0.213210941915  0.105992819272  0.051464988701
  0.161616169284 -0.062252336559  0.032149662779  0.015021655913
  0.014770217935  0.479542174308 -0.377545477407 -0.200230798839
 -0.001113452595  0.585396345259 -0.618903665750 -0.365566877880
  0.000407474628  0.108841240978  0.385419267353  0.338967028034
 -0.000284275139 -0.018841606169  0.860455794091  1.017120994100
  0.000133412079  0.006834144861  0.129378179111 -0.503923807077
 -0.000065062560 -0.003486070131 -0.019986035863 -0.919304694668
  0.000022436124  0.001139401910  0.005282001564 -0.068113302605
 -0.000011356413 -0.000557029065 -0.002561521482  0.016407847905
  0.000002896019  0.000143318281  0.000624143876 -0.003342212881
 -0.000001379933 -0.000068247279 -0.000296626078  0.001546955791
   23    3
  4.5420610000e2 96.109874000000 18.593535000000
   50594217.00000000
    7225282.10000000
    1495736.30000000
     382198.33000000
     113750.66000000
      38073.77000000
      14113.39600000
       5705.98350000
       2477.03080000
       1141.77730000
        552.72951000
        278.71226000
        145.16192000
         77.42934600
         41.72838500
         22.34041500
         12.15246700
          6.49051220
          3.36995450
          1.72387190
          0.75456478
          0.33942224
          0.14058331
  0.000003637679 -0.000001755033 -0.000000815966
  0.000012152557 -0.000005865558 -0.000002727214
  0.000035962623 -0.000017369131 -0.000008077521
  0.000099971430 -0.000048340260 -0.000022482884
  0.000274116048 -0.000132752670 -0.000061779054
  0.000760389064 -0.000369218440 -0.000171844480
  0.002136967184 -0.001041234900 -0.000485276050
  0.006104320053 -0.002992495101 -0.001395334101
  0.017287370868 -0.008556329904 -0.004001780203
  0.046586065645 -0.023479156010 -0.011011346007
  0.112243429144 -0.058317574025 -0.027568592017
  0.222089848307 -0.120720810052 -0.057549760036
  0.326864647508 -0.187212950081 -0.090716217057
  0.300702537707 -0.153007610066 -0.070382469044
  0.136870398956  0.107161120047  0.081222295051
  0.020862293841  0.461467950201  0.333483130209
  0.000652720715  0.435206440189  0.330561720207
 -0.000069639841  0.128580790056 -0.223680540140
 -0.000086003841  0.008214559804 -0.637086930399
 -0.000022664475  0.000928646940 -0.343534250215
  0.000002535712 -0.000192437200 -0.034945751022
 -0.000000785260  0.000058960141  0.001624637201
  0.000000294948 -0.000016289545 -0.000385501940
   15    2
 71.509066000000  9.854978000000
      16349.94300000
       3082.35250000
       1013.80760000
        404.19229000
        178.28437000
         84.08803700
         41.48879100
         20.98053000
         10.77456500
          5.42897320
          2.67505600
          1.26356530
          0.50861024
          0.20079241
          0.07226961
  0.000040578795 -0.000018646917
  0.000464225188 -0.000214576079
  0.003012136688 -0.001390407190
  0.015333769938 -0.007155494951
  0.058849816763 -0.027657702811
  0.164682739336 -0.079171701458
  0.315434748729 -0.149665888975
  0.382569638458 -0.166546578859
  0.232405219063  0.031610264784
  0.052280222789  0.379223717403
  0.001873448192  0.480733526708
  0.000289645399  0.224037168466
 -0.000104062400  0.024583514832
  0.000048140005 -0.001180457692
 -0.000008020877  0.000299081548
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
* Spin-Orbit-Core basis set:
*
* /Pr.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* T. Tsuchiya, M. Abe, T. Nakajima, K. Hirao. J. Chem. Phys. 115 (2001) 4463-4472. doi:10.1063/1.1390515
********************************************************************************
    3
* s-type functions
   27    6    4
49230765000.00000000
 3878988200.00000000
  593188150.00000000
  125405350.00000000
   32524318.00000000
    9529220.50000000
    2961565.00000000
     983528.23000000
     349225.38000000
     128938.90000000
      49198.75100000
      19315.97600000
       7811.26770000
       3269.58860000
       1408.75270000
        624.17113000
        285.32902000
        119.50661000
         54.80497100
         21.55720000
         11.08597500
          4.19733200
          2.11119520
          0.59179526
          0.27548221
        500.25313e-4
        213.68062e-4
  0.000003000000 -0.000001100000  0.000000500000  0.000000200000  0.000000100000  0.000000000000
  0.000013800000 -0.000004900000  0.000002200000  0.000001100000  0.000000400000  0.000000100000
  0.000042000000 -0.000014900000  0.000006800000  0.000003200000  0.000001300000  0.000000300000
  0.000107600000 -0.000038300000  0.000017500000  0.000008300000  0.000003200000  0.000000900000
  0.000246800000 -0.000087800000  0.000040100000  0.000019000000  0.000007500000  0.000002000000
  0.000550500000 -0.000195900000  0.000089600000  0.000042300000  0.000016600000  0.000004400000
  0.001203500000 -0.000428600000  0.000196100000  0.000092600000  0.000036400000  0.000009700000
  0.002480500000 -0.000886600000  0.000405700000  0.000191700000  0.000075300000  0.000020100000
  0.005038700000 -0.001805100000  0.000827300000  0.000390700000  0.000153500000  0.000041000000
  0.010343200000 -0.003743200000  0.001714800000  0.000810700000  0.000318800000  0.000085100000
  0.021367100000 -0.007793700000  0.003584900000  0.001693400000  0.000665300000  0.000177900000
  0.044832900000 -0.016800700000  0.007728100000  0.003659400000  0.001439700000  0.000384500000
  0.093330200000 -0.036031900000  0.016745500000  0.007921600000  0.003112200000  0.000832600000
  0.183842700000 -0.077055000000  0.035997700000  0.017123900000  0.006745800000  0.001800900000
  0.308861200000 -0.146420000000  0.070585200000  0.033609500000  0.013218500000  0.003539300000
  0.340434800000 -0.212941200000  0.105791900000  0.051221200000  0.020273700000  0.005407600000
  0.164026700000 -0.065216400000  0.033849500000  0.015760300000  0.006099100000  0.001660300000
  0.015505800000  0.475961000000 -0.374328700000 -0.197639400000 -0.079410800000 -0.021371200000
 -0.001299600000  0.588939800000 -0.621100100000 -0.365702300000 -0.151573900000 -0.040622800000
  0.000508600000  0.110374000000  0.383847600000  0.338669600000  0.154457800000  0.041579300000
 -0.000346400000 -0.019482800000  0.863118600000  1.010462400000  0.486727000000  0.135018100000
  0.000161000000  0.006959200000  0.127120900000 -0.528348100000 -0.368996600000 -0.109391900000
 -0.000079400000 -0.003535000000 -0.020514700000 -0.895940000000 -0.823461200000 -0.247662400000
  0.000027300000  0.001152600000  0.005439900000 -0.064001900000  0.710548900000  0.267973300000
 -0.000014100000 -0.000578800000 -0.002702100000  0.016272600000  0.639346200000  0.437479600000
  0.000003700000  0.000155000000  0.000689600000 -0.003476800000  0.021519800000 -0.689315100000
 -0.000001800000 -0.000073800000 -0.000327900000  0.001610800000 -0.007076200000 -0.502828100000
* p-type functions
   23    4    3
   51093673.00000000
    7215046.20000000
    1489055.60000000
     383792.55000000
     113728.72000000
      38075.06200000
      14131.28700000
       5703.38630000
       2477.88550000
       1141.81990000
        552.68940000
        278.70202000
        145.16744000
         77.46237800
         41.75803900
         22.34604900
         12.16089100
          6.52406120
          3.37965720
          1.71697260
          0.75073577
          0.33859350
          0.13995024
  0.000003600000 -0.000001700000 -0.000000800000 -0.000000300000
  0.000012200000 -0.000005900000 -0.000002700000 -0.000001000000
  0.000035900000 -0.000017300000 -0.000008000000 -0.000002900000
  0.000099500000 -0.000048100000 -0.000022300000 -0.000007900000
  0.000275300000 -0.000133300000 -0.000061800000 -0.000021900000
  0.000758000000 -0.000368100000 -0.000170600000 -0.000060500000
  0.002137900000 -0.001041800000 -0.000483400000 -0.000171900000
  0.006108700000 -0.002994900000 -0.001390300000 -0.000492600000
  0.017271100000 -0.008549000000 -0.003980900000 -0.001417400000
  0.046617100000 -0.023497000000 -0.010971300000 -0.003889100000
  0.112243800000 -0.058323300000 -0.027450800000 -0.009802000000
  0.222127800000 -0.120756500000 -0.057313000000 -0.020353900000
  0.326754800000 -0.187165400000 -0.090294100000 -0.032509600000
  0.300576900000 -0.153020300000 -0.070093500000 -0.024306000000
  0.137001600000  0.107039700000  0.080797900000  0.030096600000
  0.020893300000  0.461690100000  0.331807400000  0.130955800000
  0.000650900000  0.434123900000  0.328611600000  0.122393700000
 -0.000062600000  0.128927900000 -0.217839600000 -0.113627700000
 -0.000084800000  0.009013100000 -0.633382600000 -0.359204200000
 -0.000023500000  0.000776600000 -0.350549000000 -0.171286600000
  0.000002200000 -0.000101900000 -0.036875200000  0.438748000000
 -0.000001000000  0.000030500000  0.001374400000  0.602000100000
  0.000000200000 -0.000007100000 -0.000358000000  0.168614900000
* d-type functions
   15    2    2
      12713.14800000
       3354.11650000
       1220.77180000
        523.04242000
        247.30016000
        124.14225000
         64.95419200
         34.76616400
         18.89656800
         10.32981000
          5.57407500
          2.95130490
          1.53327330
          0.75787953
          0.31169924
  0.000046900000 -0.000021400000
  0.000349100000 -0.000159700000
  0.001937700000 -0.000888200000
  0.008655900000 -0.003989600000
  0.030962800000 -0.014375300000
  0.088375500000 -0.041642600000
  0.194728400000 -0.092879100000
  0.312687500000 -0.145976100000
  0.337285400000 -0.137655200000
  0.198059800000  0.045934100000
  0.050391600000  0.327285300000
  0.003642100000  0.437620000000
  0.000252400000  0.268623000000
 -0.000034300000  0.068751600000
  0.000010500000  0.004118100000
* f-type functions
   10    1    0
        382.58496000
        133.69373000
         56.36084100
         26.15858400
         12.66560800
          6.19212680
          2.92826650
          1.30817640
          0.53607490
          0.19322252
 -0.000292500000
 -0.002606200000
 -0.014127500000
 -0.047662300000
 -0.124263800000
 -0.238850100000
 -0.334780800000
 -0.343636100000
 -0.243981900000
 -0.097749100000
End of Spectral Representation Operator

/Nd.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.14el.
T. Tsuchiya, T. Nakajima, K. Hirao, L. Seijo. Chem. Phys. Lett. 361 (2002) 334-340. doi:10.1016/s0009-2614(02)00953-3
NEODYMIUM (14s,10p,9d,8f) -> [2s,1p,1d,1f]
********************************************************************************
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Nd(5K)
********************************************************************************
    14.0   3
* s-type functions
   14    2
     828861.28610000
      87338.90330000
      13851.92654000
       2977.27858400
        795.21794810
        108.06657980
         63.48502609
         14.16737255
      27999.16835e-4
      89302.53458e-5
      55907.64249e-5
      24187.18821e-5
       6084.14806e-5
       2416.35984e-5
 -0.000223880070  0.000062174196
 -0.000960046280  0.000266615150
 -0.003786241400  0.001051577800
 -0.012943024000  0.003594948600
 -0.029747010000  0.008266464600
  0.085192929000 -0.023811567000
  0.117981600000 -0.032886943000
 -0.552613700000  0.157675120000
  1.031982700000 -0.324123170000
  0.200239130000 -0.076888690000
 -1.086877800000  0.492073190000
 -0.371224220000  0.312721830000
 -0.005519743400 -0.702867090000
  0.000936092240 -0.526998170000
* p-type functions
   10    1
       2578.14535300
        537.78751350
        158.87669740
         22.98309750
      98107.81687e-4
      60676.40351e-4
      28712.64442e-4
      67589.63414e-5
      30863.21775e-5
      12279.94927e-5
 -0.003369425000
 -0.020867938000
 -0.056663342000
  0.183958400000
  0.136813800000
 -0.251744490000
 -0.400839540000
  0.558875220000
  0.511960120000
  0.088316998000
* d-type functions
    9    1
        310.00741780
         88.98756512
         31.60350436
      56794.17787e-4
      28031.31535e-4
      66051.54723e-5
      27683.48481e-5
      11033.46689e-5
       4286.61089e-5
  0.005406831200
  0.030425188000
  0.063795979000
 -0.128757240000
 -0.134538080000
  0.285310200000
  0.480685350000
  0.355620970000
  0.087933064000
* f-type functions
    8    1
        103.85402220
         35.15145377
         14.06909231
      61303.59186e-4
      27260.81777e-4
      12109.34675e-4
      51776.38101e-5
       1987.88112e-4
  0.007506213000
  0.046881198000
  0.153920720000
  0.300784920000
  0.372501430000
  0.310905660000
  0.175468840000
  0.049512877000
********************************************************************************
* Core AIMP:Nd DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.8018731000e5  9.7486095700e4  2.8663305900e4  9.4979719400e3  3.4214787900e3  1.2638831600e3  4.7395358700e2  2.1188816400e2 71.482318000000  6.506837830000 35.551016500000
  3.578019980000  1.794914470000
  0.035508075049  0.033519306657  0.055746831392  0.088392453755  0.123754381404  0.152945789845  0.268987419823  0.350206755891  0.293228976548  0.673870436902  0.800801282029
  0.372640792488  0.036111783932
M2
  0
COREREP
 1.0
PROJOP
    2
   27    4
  3.2187606000e3  5.2935038000e2  1.1882404200e2 25.600900000000
34159961000.00000000
 3551647800.00000000
  593009160.00000000
  129864190.00000000
   33208787.00000000
    9345318.80000000
    2919039.20000000
     990957.70000000
     353157.46000000
     130255.31000000
      49514.88500000
      19441.10000000
       7846.36400000
       3270.16350000
       1408.18870000
        625.26641000
        286.42427000
        122.43986000
         56.46655000
         22.37102600
         11.55283300
          4.47986690
          2.25774900
          0.65502249
          0.30541153
        532.28866e-4
        223.78968e-4
  0.000003816386 -0.000001364947  0.000000626492  0.000000297831
  0.000014675731 -0.000005244403  0.000002406541  0.000001144069
  0.000043477723 -0.000015525270  0.000007124566  0.000003386752
  0.000110927750 -0.000039609754  0.000018173168  0.000008639462
  0.000267447829 -0.000095476457  0.000043815517  0.000020827651
  0.000604547847 -0.000216048789  0.000099127641  0.000047127945
  0.001262603895 -0.000451507537  0.000207294920  0.000098536924
  0.002582237389 -0.000926765734  0.000425370111  0.000202282770
  0.005279116877 -0.001899638888  0.000873364411  0.000415175430
  0.010848751954 -0.003942595574  0.001811908603  0.000862196319
  0.022376757904 -0.008204847847  0.003786324506  0.001800534599
  0.046631492800 -0.017560091886  0.008104833313  0.003862920597
  0.097190250583 -0.037794912754  0.017627491029  0.008395496093
  0.190282299185 -0.080387412476  0.037706232061  0.018056526986
  0.313311208657 -0.150577809019  0.072950907118  0.034984218972
  0.335454948562 -0.212101258618  0.105892090172  0.051641785959
  0.153689979341 -0.051693130663  0.026308674043  0.012075270990
  0.013192257943  0.483685306847 -0.384708810625 -0.205030869836
 -0.000699030257  0.578996736226 -0.614000050997 -0.365109699708
  0.000181523449  0.107621589299  0.398054670646  0.355287139715
 -0.000139338639 -0.019203469875  0.852214461384  1.012714499189
  0.000061409879  0.006957070655  0.127071100206 -0.518444849585
 -0.000026645856 -0.003507885677 -0.018940505031 -0.912084639270
  0.000009048306  0.001143214693  0.005012790708 -0.066869530946
 -0.000004634844 -0.000553378946 -0.002406760004  0.015838178987
  0.000001145516  0.000139876929  0.000575473871 -0.003172693397
 -0.000000546310 -0.000066658217 -0.000273724060  0.001470247299
   23    3
  4.7325154000e2  1.0068469800e2 19.429094000000
   50580510.00000000
    7192376.40000000
    1495567.60000000
     384138.03000000
     113618.19000000
      38144.78200000
      14128.07000000
       5703.93980000
       2477.92200000
       1142.02680000
        552.56368000
        278.56096000
        145.18693000
         77.49128400
         41.70040600
         22.36062200
         12.17110600
          6.50313230
          3.38200380
          1.73058830
          0.75992022
          0.34002096
          0.13988874
  0.000003929865 -0.000001903979 -0.000000888700
  0.000013155313 -0.000006376425 -0.000002976429
  0.000038470032 -0.000018658952 -0.000008711561
  0.000107402360 -0.000052157303 -0.000024354332
  0.000295080270 -0.000143525301 -0.000067057235
  0.000811599370 -0.000395852023 -0.000184977421
  0.002290193901 -0.001120972608 -0.000524546713
  0.006514322902 -0.003209025824 -0.001502396410
  0.018357770006 -0.009132697369 -0.004289350728
  0.049290639017 -0.024988197189 -0.011769672076
  0.117845730040 -0.061633582465 -0.029272025188
  0.229951090078 -0.125952900951 -0.060336112387
  0.330419670111 -0.190422471438 -0.092732352595
  0.293615660099 -0.144429991090 -0.065591816421
  0.126510580043  0.132072990997  0.097333183624
  0.017169521006  0.478783493615  0.352235502260
  0.000741687560  0.414796403132  0.306630201967
 -0.000226937830  0.112173440847 -0.270928871738
 -0.000001873318  0.006470639849 -0.635802754079
 -0.000054968469  0.000840519986 -0.311257181997
  0.000016881793 -0.000175372351 -0.028832666185
 -0.000006698843  0.000052696704  0.001120838407
  0.000001859331 -0.000014171416 -0.000255897802
   15    2
 75.249276000000 10.354821000000
       8792.30060000
       3651.65620000
       1380.75370000
        595.51400000
        268.84685000
        125.41439000
         60.83010300
         30.18536700
         15.21482200
          7.53916070
          3.65499930
          1.70848630
          0.71288635
          0.25972210
        848.63799e-4
  0.000066355812 -0.000030429186
  0.000273300231 -0.000128236970
  0.001645520604 -0.000760362372
  0.007486765619 -0.003519846508
  0.031515865080 -0.014792644033
  0.103405510262 -0.049709196111
  0.244086760618 -0.117663950263
  0.380611030964 -0.179006840400
  0.332505490842 -0.091992496205
  0.115758230293  0.255438940570
  0.008539956022  0.513124751146
  0.000747428362  0.336702040752
 -0.000222772911  0.058246368130
  0.000095943890 -0.000720215482
 -0.000016849019  0.000473341961
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
* Spin-Orbit-Core basis set:
*
* /Nd.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* T. Tsuchiya, M. Abe, T. Nakajima, K. Hirao. J. Chem. Phys. 115 (2001) 4463-4472. doi:10.1063/1.1390515
********************************************************************************
    3
* s-type functions
   27    6    4
29095464000.00000000
 3547424800.00000000
  626604150.00000000
  132478650.00000000
   32558625.00000000
    9188110.90000000
    2931551.80000000
    1000868.80000000
     353897.74000000
     130371.14000000
      49842.27100000
      19521.55500000
       7851.00580000
       3273.06370000
       1410.20500000
        626.66120000
        287.53121000
        122.76019000
         56.63517700
         22.56243100
         11.58406900
          4.42749560
          2.21540570
          0.62284904
          0.28814518
        501.62524e-4
        213.50077e-4
  0.000004100000 -0.000001500000  0.000000700000  0.000000300000  0.000000100000  0.000000000000
  0.000013800000 -0.000004900000  0.000002300000  0.000001100000  0.000000400000 -0.000000100000
  0.000041800000 -0.000014900000  0.000006900000  0.000003200000  0.000001300000 -0.000000300000
  0.000113300000 -0.000040500000  0.000018600000  0.000008800000  0.000003400000 -0.000000900000
  0.000275100000 -0.000098200000  0.000045100000  0.000021400000  0.000008400000 -0.000002200000
  0.000602200000 -0.000215200000  0.000098800000  0.000046800000  0.000018300000 -0.000004800000
  0.001240000000 -0.000443400000  0.000203600000  0.000096500000  0.000037800000 -0.000010000000
  0.002574200000 -0.000923900000  0.000424100000  0.000201100000  0.000078800000 -0.000020800000
  0.005309800000 -0.001910800000  0.000878500000  0.000416400000  0.000163100000 -0.000043100000
  0.010783200000 -0.003919000000  0.001801300000  0.000854700000  0.000335100000 -0.000088400000
  0.022204200000 -0.008140900000  0.003756500000  0.001781000000  0.000697600000 -0.000184300000
  0.046729600000 -0.017595300000  0.008122800000  0.003860400000  0.001514300000 -0.000399500000
  0.097267400000 -0.037825500000  0.017638300000  0.008375000000  0.003280800000 -0.000867100000
  0.189972600000 -0.080254700000  0.037657100000  0.017982900000  0.007063500000 -0.001863000000
  0.312948700000 -0.150350300000  0.072808000000  0.034804000000  0.013648900000 -0.003610400000
  0.335124800000 -0.211796500000  0.105820000000  0.051475600000  0.020320400000 -0.005354700000
  0.154440000000 -0.052880900000  0.026772400000  0.012220600000  0.004668300000 -0.001262300000
  0.013580900000  0.481722200000 -0.382260200000 -0.202931300000 -0.081332100000  0.021622600000
 -0.000815600000  0.580137400000 -0.616514900000 -0.365643700000 -0.151257900000  0.040055300000
  0.000247600000  0.108233800000  0.389840800000  0.347199600000  0.158067200000 -0.042079100000
 -0.000179000000 -0.018237400000  0.861661700000  1.014337000000  0.487552600000 -0.133495000000
  0.000079600000  0.006485000000  0.126035800000 -0.534292000000 -0.372085100000  0.108555200000
 -0.000036000000 -0.003251200000 -0.019229500000 -0.895982700000 -0.819731200000  0.243508600000
  0.000012200000  0.001048900000  0.005062700000 -0.063300700000  0.701359000000 -0.259903500000
 -0.000006300000 -0.000516800000 -0.002468000000  0.015621300000  0.646988100000 -0.432751200000
  0.000001600000  0.000135400000  0.000614300000 -0.003261700000  0.021928200000  0.710388600000
 -0.000000800000 -0.000065300000 -0.000295700000  0.001531300000 -0.007468900000  0.475931500000
* p-type functions
   23    4    3
   48217378.00000000
    7261355.30000000
    1507340.10000000
     382356.30000000
     113813.77000000
      38195.06100000
      14131.43800000
       5704.22420000
       2478.18890000
       1142.28550000
        552.55985000
        278.45795000
        145.26851000
         77.53668500
         41.63418500
         22.36848000
         12.18950400
          6.53777260
          3.39402190
          1.72950410
          0.75379370
          0.33887829
          0.13960772
  0.000004000000 -0.000001900000 -0.000000900000 -0.000000300000
  0.000012800000 -0.000006200000 -0.000002900000 -0.000001000000
  0.000038700000 -0.000018800000 -0.000008700000 -0.000003100000
  0.000107800000 -0.000052400000 -0.000024400000 -0.000008600000
  0.000293500000 -0.000142800000 -0.000066400000 -0.000023500000
  0.000812200000 -0.000396100000 -0.000184400000 -0.000065000000
  0.002290500000 -0.001121400000 -0.000522600000 -0.000184800000
  0.006514200000 -0.003208600000 -0.001496200000 -0.000527200000
  0.018355700000 -0.009134400000 -0.004272900000 -0.001513200000
  0.049268700000 -0.024972800000 -0.011715200000 -0.004129700000
  0.117965000000 -0.061720300000 -0.029195100000 -0.010370600000
  0.229925700000 -0.125903300000 -0.060069400000 -0.021213100000
  0.329864900000 -0.190263700000 -0.092281000000 -0.033069400000
  0.294316200000 -0.144446000000 -0.065327200000 -0.022352000000
  0.126521500000  0.132348300000  0.097226600000  0.035982100000
  0.016820700000  0.477759200000  0.349499500000  0.137761100000
  0.000899300000  0.414311300000  0.305859300000  0.111087700000
 -0.000297000000  0.112733300000 -0.264831400000 -0.134121500000
  0.000035500000  0.007142300000 -0.631569600000 -0.362326900000
 -0.000071900000  0.000717600000 -0.319226800000 -0.137274500000
  0.000022900000 -0.000095600000 -0.031141100000  0.463293400000
 -0.000009700000  0.000028600000  0.001230200000  0.584426400000
  0.000002600000 -0.000006200000 -0.000311600000  0.153166800000
* d-type functions
   15    2    2
      12677.91900000
       3346.86280000
       1219.56180000
        523.06807000
        247.31472000
        124.13536000
         64.96501300
         34.76094300
         18.90510400
         10.33393100
          5.57094170
          2.95199050
          1.53283800
          0.75575620
          0.30598871
  0.000051700000 -0.000023800000
  0.000383000000 -0.000176600000
  0.002114400000 -0.000976500000
  0.009387500000 -0.004363400000
  0.033356000000 -0.015611500000
  0.094226800000 -0.044824300000
  0.204182600000 -0.098112300000
  0.320731300000 -0.150595800000
  0.332356700000 -0.131622200000
  0.183770500000  0.069876900000
  0.043045200000  0.347610300000
  0.002803300000  0.431362500000
  0.000262400000  0.247821400000
 -0.000022000000  0.058699200000
  0.000012200000  0.003220400000
* f-type functions
   10    1    0
        379.59709000
        131.09244000
         56.14306400
         26.35066300
         12.76964700
          6.24667920
          2.97097530
          1.34916720
          0.56686572
          0.20819149
 -0.000353800000
 -0.003127600000
 -0.015854000000
 -0.052628700000
 -0.135630700000
 -0.251103200000
 -0.336194400000
 -0.328872000000
 -0.228627100000
 -0.090993900000
End of Spectral Representation Operator

/Pm.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.15el.
T. Tsuchiya, T. Nakajima, K. Hirao, L. Seijo. Chem. Phys. Lett. 361 (2002) 334-340. doi:10.1016/s0009-2614(02)00953-3
PROMETHIUM (14s,10p,9d,8f) -> [2s,1p,1d,1f]
********************************************************************************
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Pm(6L)
********************************************************************************
    15.0   3
* s-type functions
   14    2
     850601.74070000
      83109.06245000
      13288.55835000
       2888.42383400
        791.41862710
        121.52218030
         69.77252999
         14.81523505
          2.93925638
      91984.86723e-5
      64694.31888e-5
      28031.56458e-5
       6226.57024e-5
       2519.64409e-5
 -0.000240147780  0.000065989504
 -0.001064355400  0.000292470440
 -0.004096749500  0.001125837800
 -0.013688057000  0.003761875800
 -0.029323691000  0.008063191400
  0.066360345000 -0.018348685000
  0.136555330000 -0.037685152000
 -0.550498450000  0.155408260000
  1.021414600000 -0.317190520000
  0.373047160000 -0.135275780000
 -1.135992600000  0.473170090000
 -0.481966910000  0.367763610000
 -0.013123957000 -0.671604440000
  0.003318293400 -0.543309670000
* p-type functions
   10    1
       2732.49887800
        566.58418100
        166.41887180
         23.86517184
      97722.78821e-4
      64614.10269e-4
      29917.37331e-4
      71396.45363e-5
      33082.07952e-5
      13556.80853e-5
 -0.003320104900
 -0.020634766000
 -0.056789520000
  0.186431580000
  0.156204870000
 -0.276649190000
 -0.395799630000
  0.538168280000
  0.517129750000
  0.104435570000
* d-type functions
    9    1
        326.34388060
         93.49667344
         33.19815982
      59486.73007e-4
      29383.67742e-4
      70039.87066e-5
      30252.42909e-5
      12605.17128e-5
       5036.97585e-5
  0.005343260500
  0.030382539000
  0.064157091000
 -0.130300060000
 -0.132592370000
  0.273975940000
  0.454555180000
  0.363865110000
  0.118217460000
* f-type functions
    8    1
        118.63383730
         40.05437707
         16.06176907
      70552.92659e-4
      31729.05526e-4
      14226.63685e-4
      61027.36359e-5
      23712.09971e-5
  0.006402210100
  0.042098360000
  0.142249890000
  0.287169920000
  0.367524860000
  0.321222470000
  0.189548470000
  0.057718934000
********************************************************************************
* Core AIMP:Pm DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.3933965000e5  1.0743666500e5  3.1213918700e4  1.0222008800e4  3.6383042800e3  1.3284657200e3  4.9474413300e2  2.2072915700e2 74.422252300000  6.788270600000 37.197466700000
  3.697524470000  1.840034350000
  0.032143240191  0.030782373032  0.051451040449  0.082188294518  0.116270351376  0.144037223788  0.251652323486  0.327654722973  0.273809754215  0.642137646612  0.746531947249
  0.338058913069  0.029948835710
M2
  0
COREREP
 1.0
PROJOP
    2
   27    4
  3.3381726000e3  5.5160332000e2  1.2430796000e2 26.723382000000
39874361000.00000000
 3935537000.00000000
  611953180.00000000
  126257430.00000000
   31996850.00000000
    9351105.10000000
    2968900.80000000
     995810.54000000
     356357.33000000
     132353.30000000
      50193.62100000
      19583.20400000
       7881.24330000
       3278.36130000
       1411.28840000
        627.48548000
        287.74426000
        125.10176000
         58.00710500
         23.21715100
         11.99020400
          4.70281020
          2.35653100
          0.68110741
          0.31489512
          0.05453611
          0.02264900
  0.000003707500 -0.000001331840  0.000000613191  0.000000292391
  0.000015083163 -0.000005413042  0.000002491606  0.000001188095
  0.000047436203 -0.000017010531  0.000007830103  0.000003733403
  0.000124155800 -0.000044517251  0.000020487583  0.000009769185
  0.000287243841 -0.000102973671  0.000047401337  0.000022600187
  0.000622326872 -0.000223324251  0.000102779560  0.000049012402
  0.001330550204 -0.000477827253  0.000220051600  0.000104916771
  0.002740102109 -0.000987501786  0.000454651159  0.000216863311
  0.005482077618 -0.001981561011  0.000913855848  0.000435735113
  0.011257501038 -0.004108559423  0.001894121797  0.000904075106
  0.023385186078 -0.008618690648  0.003989785693  0.001903056712
  0.048702176163 -0.018431958103  0.008535940884  0.004081080425
  0.100871820337 -0.039508238221  0.018490392966  0.008833682555
  0.196061050655 -0.083490112467  0.039317217928  0.018891216117
  0.317297301060 -0.154466330863  0.075188185862  0.036174665225
  0.330556851104 -0.211044841179  0.105870619806  0.051849886322
  0.144246820482 -0.037880324212  0.018355664966  0.008013016050
  0.011148248037  0.492666842753 -0.396531489274 -0.212412381319
 -0.000234666151  0.567590663172 -0.605859938890 -0.363084142255
 -0.000068315923  0.103319060577  0.416054029238  0.375537302332
  0.000021071916 -0.017832139100  0.842071238457  1.007292806256
 -0.000016713715  0.006378671836  0.123662339773 -0.533317333312
  0.000013876307 -0.003154231118 -0.017260102968 -0.906046055627
 -0.000004879579  0.001014097706  0.004547310892 -0.065370538406
  0.000002218837 -0.000486867083 -0.002171109396  0.015402464096
 -0.000000584496  0.000122902091  0.000517743939 -0.003096881919
  0.000000276968 -0.000058244007 -0.000244911700  0.001428205109
   23    3
  4.9270526000e2  1.0535144000e2 20.273742000000
   51661379.00000000
    7370657.00000000
    1523082.00000000
     387964.88000000
     114908.62000000
      38380.71900000
      14198.28900000
       5727.91540000
       2483.37890000
       1142.59610000
        552.78195000
        278.73449000
        145.33050000
         77.65464500
         41.92671700
         22.67885500
         12.41730700
          6.65044590
          3.47982070
          1.79081590
          0.80333039
          0.36278294
          0.15112831
  0.000004164551 -0.000002025848 -0.000000948945
  0.000013903847 -0.000006766556 -0.000003169783
  0.000041102935 -0.000020017525 -0.000009379135
  0.000114447060 -0.000055806975 -0.000026151907
  0.000313842830 -0.000153292810 -0.000071877056
  0.000866981311 -0.000424661859 -0.000199160769
  0.002433517804 -0.001196433297 -0.000561893346
  0.006917781211 -0.003423352190 -0.001608701089
  0.019489865031 -0.009745020073 -0.004594309470
  0.052093128082 -0.026556566926 -0.012558240917
  0.123329770194 -0.064925833820 -0.030966033795
  0.237477980374 -0.131012289636 -0.063044394582
  0.333526730526 -0.193312279463 -0.094545458374
  0.285329360450 -0.134634679626 -0.060095193602
  0.116727550184  0.151970959578  0.110462379268
  0.014894906023  0.484027448655  0.361239387607
  0.000727641841  0.400371518888  0.288812238087
 -0.000251698080  0.104300749710 -0.293117128058
  0.000010165863  0.005609932984 -0.628763315834
 -0.000056760363  0.000905791667 -0.298850678020
  0.000018100278 -0.000198479809 -0.028166210813
 -0.000007034337  0.000062313065  0.000764125535
  0.000001930939 -0.000016591744 -0.000195875619
   15    2
 79.060950000000 10.858117000000
      14902.06900000
       4213.73440000
       1319.99470000
        494.82676000
        210.10087000
         97.74785500
         48.44145800
         24.85927300
         12.96833300
          6.60605600
          3.26322840
          1.54114790
          0.62467519
          0.23834475
        810.05152e-4
  0.000037317420 -0.000017343978
  0.000301380790 -0.000141164919
  0.002295574102 -0.001072997595
  0.013037161012 -0.006157880571
  0.053268932049 -0.025340773882
  0.152667410141 -0.074317618654
  0.297007670274 -0.143341479333
  0.376511330348 -0.170319139207
  0.257233070238 -0.007799051764
  0.069452205064  0.339110718422
  0.003675165803  0.494588457698
  0.000458125200  0.264373508770
 -0.000107793810  0.035220101836
  0.000062861849 -0.001244686594
 -0.000005408184  0.000495718628
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
* Spin-Orbit-Core basis set:
*
* /Pm.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* T. Tsuchiya, M. Abe, T. Nakajima, K. Hirao. J. Chem. Phys. 115 (2001) 4463-4472. doi:10.1063/1.1390515
********************************************************************************
    3
* s-type functions
   27    6    4
69230958000.00000000
 4178293900.00000000
  556706490.00000000
  118949840.00000000
   33354640.00000000
    9463646.50000000
    2914640.80000000
     997515.35000000
     358789.16000000
     132751.53000000
      50422.40300000
      19620.51100000
       7884.22890000
       3282.43400000
       1412.94220000
        628.55151000
        289.14278000
        125.15307000
         58.00853200
         23.25091500
         11.97473400
          4.74675970
          2.34443030
          0.67464215
          0.31145248
        538.07906e-4
        235.82913e-4
  0.000002900000 -0.000001000000  0.000000500000  0.000000200000  0.000000100000  0.000000000000
  0.000016300000 -0.000005800000  0.000002700000  0.000001300000  0.000000500000 -0.000000100000
  0.000052300000 -0.000018800000  0.000008600000  0.000004100000  0.000001600000 -0.000000400000
  0.000119600000 -0.000042900000  0.000019700000  0.000009400000  0.000003700000 -0.000001000000
  0.000271200000 -0.000097200000  0.000044800000  0.000021300000  0.000008300000 -0.000002200000
  0.000647100000 -0.000232200000  0.000106900000  0.000050800000  0.000019900000 -0.000005200000
  0.001343100000 -0.000482400000  0.000222200000  0.000105600000  0.000041300000 -0.000010800000
  0.002685800000 -0.000968000000  0.000445700000  0.000212000000  0.000082900000 -0.000021600000
  0.005484300000 -0.001982300000  0.000914200000  0.000434700000  0.000169800000 -0.000044400000
  0.011226200000 -0.004097400000  0.001889200000  0.000899200000  0.000351500000 -0.000091800000
  0.023305400000 -0.008588300000  0.003975500000  0.001891300000  0.000738600000 -0.000193100000
  0.048803300000 -0.018471600000  0.008555800000  0.004079000000  0.001595600000 -0.000416600000
  0.100795800000 -0.039473300000  0.018471900000  0.008802400000  0.003437600000 -0.000899500000
  0.195752100000 -0.083368800000  0.039269500000  0.018813200000  0.007370200000 -0.001923200000
  0.317253700000 -0.154349300000  0.075107900000  0.036049300000  0.014091100000 -0.003691600000
  0.330007300000 -0.210832700000  0.105825000000  0.051655300000  0.020352900000 -0.005301700000
  0.144825700000 -0.038527900000  0.018575300000  0.008182500000  0.003010600000 -0.000831600000
  0.011772100000  0.492694700000 -0.396217200000 -0.211865000000 -0.084625100000  0.022304900000
 -0.000508400000  0.567736800000 -0.606993600000 -0.362256600000 -0.149829100000  0.039186300000
  0.000097900000  0.103000000000  0.417960800000  0.374122400000  0.170774000000 -0.044781500000
 -0.000088800000 -0.017535100000  0.841225600000  1.007667400000  0.482520900000 -0.131273200000
  0.000037600000  0.006230100000  0.121537100000 -0.529702500000 -0.360743400000  0.105016400000
 -0.000013800000 -0.003007100000 -0.015081500000 -0.910278200000 -0.834031500000  0.242925500000
  0.000004700000  0.000978400000  0.004073800000 -0.066465100000  0.645541100000 -0.226234600000
 -0.000002500000 -0.000473500000 -0.001952400000  0.015569600000  0.698496200000 -0.453878300000
  0.000000600000  0.000126100000  0.000488100000 -0.003290400000  0.027889800000  0.626664600000
 -0.000000300000 -0.000062200000 -0.000240400000  0.001580300000 -0.009913800000  0.552601100000
* p-type functions
   23    4    3
   51833132.00000000
    7368413.60000000
    1523896.60000000
     388215.76000000
     114993.15000000
      38394.73500000
      14203.40000000
       5729.27800000
       2483.51720000
       1142.67860000
        552.74934000
        278.70834000
        145.34124000
         77.64530400
         41.94678500
         22.69221000
         12.43480800
          6.65944960
          3.48794270
          1.78468060
          0.80109477
          0.36268475
          0.15088131
  0.000004200000 -0.000002000000 -0.000000900000 -0.000000300000
  0.000013900000 -0.000006800000 -0.000003200000 -0.000001100000
  0.000041100000 -0.000020000000 -0.000009300000 -0.000003300000
  0.000114400000 -0.000055800000 -0.000026000000 -0.000009100000
  0.000313700000 -0.000153200000 -0.000071600000 -0.000025100000
  0.000866900000 -0.000424600000 -0.000198400000 -0.000069600000
  0.002432600000 -0.001196000000 -0.000559700000 -0.000196700000
  0.006917900000 -0.003423800000 -0.001602700000 -0.000561900000
  0.019491300000 -0.009746000000 -0.004578500000 -0.001611500000
  0.052091100000 -0.026559100000 -0.012510600000 -0.004388800000
  0.123384100000 -0.064956100000 -0.030872500000 -0.010898900000
  0.237446600000 -0.131021600000 -0.062796100000 -0.022077800000
  0.333555900000 -0.193310700000 -0.094237400000 -0.033543100000
  0.285358400000 -0.134745600000 -0.059826500000 -0.020294500000
  0.116524100000  0.152090100000  0.109844100000  0.040676900000
  0.015053500000  0.483334400000  0.359624100000  0.140867300000
  0.000644500000  0.400489200000  0.286768900000  0.102793500000
 -0.000192800000  0.104839900000 -0.287388900000 -0.145573900000
 -0.000019600000  0.005638200000 -0.625274900000 -0.355731800000
 -0.000042500000  0.000996100000 -0.305355800000 -0.130410300000
  0.000011600000 -0.000206000000 -0.029498300000  0.444510400000
 -0.000004700000  0.000073700000  0.000411600000  0.586875300000
  0.000001200000 -0.000017900000 -0.000141900000  0.170473600000
* d-type functions
   15    2    2
      12635.10400000
       3337.58610000
       1218.29560000
        523.22078000
        247.29887000
        124.13041000
         64.97768700
         34.75380100
         18.91505100
         10.33500700
          5.56792250
          2.95299400
          1.53107650
          0.75311752
          0.30231499
  0.000056900000 -0.000026300000
  0.000419900000 -0.000195000000
  0.002301400000 -0.001070100000
  0.010160400000 -0.004758900000
  0.035884300000 -0.016919600000
  0.100221000000 -0.048094400000
  0.213677200000 -0.103347100000
  0.328101200000 -0.154772300000
  0.326232300000 -0.124065400000
  0.169951700000  0.094135300000
  0.036529000000  0.365334300000
  0.002251800000  0.423165200000
  0.000234500000  0.228245500000
  0.000001200000  0.049900600000
  0.000010200000  0.002599300000
* f-type functions
   10    1    0
        378.49549000
        130.79325000
         56.12626100
         26.35364900
         12.79165600
          6.25716240
          2.97597570
          1.34998380
          0.56853097
          0.21117426
 -0.000410200000
 -0.003587900000
 -0.017866000000
 -0.058391700000
 -0.147235500000
 -0.263028400000
 -0.339907800000
 -0.319388900000
 -0.211948700000
 -0.080361900000
End of Spectral Representation Operator

/Sm.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.16el.
T. Tsuchiya, T. Nakajima, K. Hirao, L. Seijo. Chem. Phys. Lett. 361 (2002) 334-340. doi:10.1016/s0009-2614(02)00953-3
SAMARIUM (14s,10p,9d,8f) -> [2s,1p,1d,1f]
********************************************************************************
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Sm(7K)
********************************************************************************
    16.0   3
* s-type functions
   14    2
     938432.82910000
      90896.92221000
      14473.46480000
       3120.31361900
        837.41943560
        131.88934540
         75.36938903
         15.46727721
      30927.31171e-4
       9870.03947e-4
      66303.58603e-5
      28239.43122e-5
       6314.64968e-5
        252.75685e-4
 -0.000238552850  0.000064878362
 -0.001053153500  0.000286420290
 -0.004003292300  0.001088865800
 -0.013475474000  0.003665366200
 -0.029670799000  0.008074957800
  0.054711656000 -0.014978810000
  0.147290270000 -0.040223825000
 -0.549691870000  0.153525440000
  1.011524900000 -0.309937450000
  0.336902120000 -0.123787320000
 -1.114895400000  0.467823530000
 -0.461350280000  0.352243640000
 -0.009277800000 -0.687508890000
  0.002008328300 -0.526857480000
* p-type functions
   10    1
       2862.35991700
        590.72156620
        173.27677010
         24.82074564
          9.67073127
      70539.77281e-4
      31490.07383e-4
      74130.93402e-5
      34417.49918e-5
       1435.35792e-4
 -0.003320495800
 -0.020603293000
 -0.056748466000
  0.187953450000
  0.204887840000
 -0.321928780000
 -0.396548810000
  0.535948970000
  0.512003020000
  0.110204190000
* d-type functions
    9    1
        342.55685650
         97.53051050
         34.64887425
      62800.57531e-4
      31176.71434e-4
      72033.73223e-5
      30841.83893e-5
      12629.66648e-5
       4879.54743e-5
  0.005305212800
  0.030424182000
  0.064009090000
 -0.128110390000
 -0.131857800000
  0.280718180000
  0.455480840000
  0.367228230000
  0.109538860000
* f-type functions
    8    1
        127.78256770
         43.23539918
         17.39635883
      76585.30002e-4
      34625.54353e-4
          1.55855037
      67054.76756e-5
      25970.69881e-5
  0.006139615800
  0.040835585000
  0.139645500000
  0.284235230000
  0.364975560000
  0.322784570000
  0.193568180000
  0.060982619000
********************************************************************************
* Core AIMP:Sm DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.2457891000e5  1.0621399100e5  3.1160395100e4  1.0306184400e4  3.7121737500e3  1.3776335600e3  5.1861813900e2  2.3154234800e2 78.698958700000 39.075185800000  7.141473200000
  3.908315500000  1.947249500000
  0.031108187426  0.029432423440  0.048966664663  0.077508945445  0.108058330513  0.133058491745  0.233605396226  0.308368186944  0.251055416686  0.706141706353  0.598169745585
  0.320185516878  0.029340988096
M2
  0
COREREP
 1.0
PROJOP
    2
   27    4
  3.4601524000e3  5.7440766000e2  1.2992202600e2 27.866642000000
43196925000.00000000
 4477130100.00000000
  749361510.00000000
  158193620.00000000
   39323465.00000000
   11055882.00000000
    3396865.50000000
    1125756.50000000
     393875.58000000
     145190.58000000
      55844.28700000
      22172.97800000
       9045.91480000
       3784.81550000
       1625.66850000
        717.26345000
        326.44052000
        135.72262000
         62.18659600
         24.53509800
         12.70046100
          4.93684240
          2.47388390
          0.71613697
          0.32857389
        557.71143e-4
        232.96731e-4
  0.000003722432 -0.000001343066  0.000000620204  0.000000296555
  0.000014228908 -0.000005128800  0.000002367780  0.000001132175
  0.000042615133 -0.000015346837  0.000007085261  0.000003387611
  0.000113275609 -0.000040789722  0.000018827676  0.000009002460
  0.000271020548 -0.000097556220  0.000045039205  0.000021533466
  0.000609253516 -0.000219538958  0.000101336329  0.000048456738
  0.001302111592 -0.000469431796  0.000216811168  0.000103658840
  0.002695393983 -0.000975376941  0.000450396876  0.000215419740
  0.005487759565 -0.001990685781  0.000920677573  0.000440215620
  0.010969431930 -0.004020595362  0.001858997785  0.000889724100
  0.022124844858 -0.008173303323  0.003794309370  0.001814816299
  0.045108291710 -0.017123401839  0.007950585938  0.003811361998
  0.092412779407 -0.036097434660  0.016930574867  0.008110066596
  0.180888228839 -0.076578075279  0.036108375716  0.017388163992
  0.304103058048 -0.144718218638  0.070342351448  0.033919603984
  0.341637657807 -0.212240568002  0.106261449165  0.052059557975
  0.171351978900 -0.070082867340  0.036187668716  0.017112286992
  0.017443666888  0.469889695578 -0.373975887063 -0.200601199905
 -0.001677623789  0.592706674422 -0.629134695059 -0.376116639823
  0.000728970095  0.113407838933  0.384149706983  0.350190319835
 -0.000494053557 -0.020510487807  0.862350583227  1.026118299516
  0.000233807528  0.007361344131  0.129214868985 -0.523364369753
 -0.000115494259 -0.003651260966 -0.018707122853 -0.911499439570
  0.000039173743  0.001172228789  0.004897506262 -0.065617080969
 -0.000019151989 -0.000557882815 -0.002304482682  0.015066795993
  0.000004821775  0.000141189489  0.000552072426 -0.003028449099
 -0.000002313411 -0.000067705052 -0.000264247938  0.001413370099
   23    3
  5.1257188000e2  1.1011353000e2 21.129742000000
   51759466.00000000
    7383253.30000000
    1526052.50000000
     388773.95000000
     115086.25000000
      38427.16000000
      14211.25000000
       5731.11730000
       2483.96630000
       1142.68570000
        552.74977000
        278.65791000
        145.26862000
         77.59402700
         41.89910100
         22.72115600
         12.43489600
          6.64958690
          3.48237970
          1.79213020
          0.81251456
          0.36596979
          0.15213475
  0.000004478658 -0.000002187136 -0.000001027811
  0.000014941066 -0.000007299817 -0.000003430682
  0.000044096558 -0.000021560000 -0.000010134588
  0.000122671261 -0.000060056290 -0.000028235310
  0.000336096183 -0.000164824940 -0.000077535749
  0.000926873367 -0.000455891570 -0.000214519211
  0.002596634119 -0.001282073200 -0.000604101162
  0.007363755255 -0.003660625801 -0.001726107807
  0.020673380154 -0.010387033002 -0.004913924920
  0.054969416411 -0.028179501006 -0.013375122054
  0.129058940964 -0.068370401014 -0.032735121132
  0.245216921832 -0.136268080028 -0.065855806265
  0.336581602514 -0.195979770040 -0.096200062388
  0.277038192069 -0.123748570025 -0.053836309217
  0.106693290797  0.177101020036  0.127380590513
  0.012344591092  0.496055470101  0.376183411516
  0.000655005865  0.379864960077  0.260074241048
 -0.000272921972  0.090200404018 -0.337549621361
  0.000023120535  0.004436771501 -0.621247122504
 -0.000056525117  0.000772977710 -0.268485611082
  0.000019069934 -0.000161689620 -0.023201926094
 -0.000007251710  0.000047281966  0.000317200431
  0.000001969068 -0.000012226319 -0.000087201488
   15    2
 82.946546000000 11.366529000000
       7998.06630000
       2297.59890000
       1190.63400000
        593.43774000
        262.29901000
        120.93992000
         58.61275700
         29.18673400
         14.82510600
          7.43934650
          3.62300350
          1.69628020
          0.69092197
          0.25696634
        852.39071e-4
  0.000133871770 -0.000062550471
  0.000756674632 -0.000358980139
  0.001561857304 -0.000725925158
  0.008906254223 -0.004242219187
  0.038961982099 -0.018558834945
  0.123915520316 -0.060474298821
  0.273973010699 -0.133625679605
  0.390982480998 -0.182580439461
  0.294374190751 -0.046711267862
  0.085850370219  0.314907359070
  0.005474906114  0.507724188500
  0.000462859451  0.286645909153
 -0.000076198654  0.041179254878
  0.000056686636 -0.001056398397
 -0.000001392567  0.000540647908
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
* Spin-Orbit-Core basis set:
*
* /Sm.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* T. Tsuchiya, M. Abe, T. Nakajima, K. Hirao. J. Chem. Phys. 115 (2001) 4463-4472. doi:10.1063/1.1390515
********************************************************************************
    3
* s-type functions
   27    6    4
41998563000.00000000
 4594105500.00000000
  753039310.00000000
  157767800.00000000
   39364524.00000000
   11131390.00000000
    3423497.40000000
    1127469.90000000
     393826.72000000
     145651.22000000
      56081.15100000
      22223.64100000
       9070.96660000
       3800.64950000
       1630.10570000
        719.03282000
        327.62992000
        135.74405000
         62.19013000
         24.51468900
         12.66204700
          4.85931730
          2.42207560
          0.67732450
          0.30935797
        527.79368e-4
        222.46041e-4
  0.000003700000 -0.000001300000  0.000000600000  0.000000300000  0.000000100000  0.000000000000
  0.000013900000 -0.000005000000  0.000002300000  0.000001100000  0.000000400000 -0.000000100000
  0.000043000000 -0.000015500000  0.000007100000  0.000003400000  0.000001300000 -0.000000300000
  0.000113400000 -0.000040900000  0.000018900000  0.000009000000  0.000003500000 -0.000000900000
  0.000269700000 -0.000097100000  0.000044800000  0.000021400000  0.000008300000 -0.000002200000
  0.000603900000 -0.000217600000  0.000100400000  0.000047900000  0.000018700000 -0.000004800000
  0.001299600000 -0.000468500000  0.000216400000  0.000103200000  0.000040200000 -0.000010400000
  0.002706400000 -0.000979400000  0.000452300000  0.000215800000  0.000084000000 -0.000021700000
  0.005477500000 -0.001986900000  0.000919000000  0.000438300000  0.000170600000 -0.000044100000
  0.010907900000 -0.003998500000  0.001848800000  0.000882600000  0.000343800000 -0.000088800000
  0.022078300000 -0.008154900000  0.003785900000  0.001805900000  0.000702800000 -0.000181700000
  0.045098700000 -0.017122000000  0.007950300000  0.003801900000  0.001481600000 -0.000382600000
  0.091977000000 -0.035914600000  0.016845300000  0.008046800000  0.003131700000 -0.000810100000
  0.180380200000 -0.076352900000  0.036001700000  0.017296400000  0.006748700000 -0.001742100000
  0.304247100000 -0.144650200000  0.070303600000  0.033800400000  0.013169600000 -0.003409200000
  0.341418000000 -0.212136500000  0.106204800000  0.051929100000  0.020353700000 -0.005250400000
  0.172223200000 -0.070718200000  0.036526000000  0.017161900000  0.006598000000 -0.001731400000
  0.017819900000  0.469795200000 -0.373989800000 -0.199884900000 -0.079642200000  0.020716600000
 -0.001823700000  0.592974500000 -0.629323000000 -0.375701100000 -0.154325000000  0.040004400000
  0.000805700000  0.113089700000  0.386829300000  0.353683300000  0.160330900000 -0.041791400000
 -0.000537200000 -0.020247500000  0.863124100000  1.019071400000  0.487100700000 -0.130404600000
  0.000250200000  0.007137000000  0.126094500000 -0.548177100000 -0.381548200000  0.108546000000
 -0.000123000000 -0.003514200000 -0.018797100000 -0.889272200000 -0.803853200000  0.233034900000
  0.000041300000  0.001116500000  0.004892300000 -0.061591700000  0.702405500000 -0.251842300000
 -0.000020600000 -0.000544000000 -0.002353400000  0.015015600000  0.641848700000 -0.422332700000
  0.000005400000  0.000142200000  0.000585400000 -0.003147800000  0.021349300000  0.703127900000
 -0.000002600000 -0.000068700000 -0.000282200000  0.001481600000 -0.007295200000  0.477975100000
* p-type functions
   23    4    3
   51833132.00000000
    7387198.90000000
    1527739.90000000
     389079.12000000
     115150.05000000
      38447.97900000
      14216.70900000
       5732.23630000
       2484.36550000
       1142.64870000
        552.73574000
        278.63778000
        145.24812000
         77.64623500
         41.97587600
         22.71782700
         12.41312400
          6.67716920
          3.49020430
          1.78867760
          0.80913759
          0.36603668
          0.15134571
  0.000004500000 -0.000002200000 -0.000001000000 -0.000000400000
  0.000014900000 -0.000007300000 -0.000003400000 -0.000001200000
  0.000044100000 -0.000021500000 -0.000010100000 -0.000003500000
  0.000122600000 -0.000060000000 -0.000028100000 -0.000009800000
  0.000336000000 -0.000164800000 -0.000077200000 -0.000027000000
  0.000926400000 -0.000455700000 -0.000213700000 -0.000074500000
  0.002596400000 -0.001282000000 -0.000601900000 -0.000210200000
  0.007362700000 -0.003660500000 -0.001720100000 -0.000599400000
  0.020673600000 -0.010387300000 -0.004896400000 -0.001712500000
  0.054985800000 -0.028191900000 -0.013334900000 -0.004650600000
  0.129055700000 -0.068369300000 -0.032615400000 -0.011441900000
  0.245321400000 -0.136355600000 -0.065674100000 -0.022958900000
  0.336467400000 -0.195885700000 -0.095786500000 -0.033875400000
  0.276623600000 -0.123827100000 -0.053785600000 -0.017984100000
  0.106999000000  0.176558600000  0.126694600000  0.046772200000
  0.012460800000  0.498058400000  0.375649400000  0.146405300000
  0.000628100000  0.378649200000  0.259164400000  0.090036200000
 -0.000261400000  0.089397700000 -0.332857500000 -0.165914200000
  0.000020100000  0.005274800000 -0.618744900000 -0.354212700000
 -0.000055700000  0.000535400000 -0.274803100000 -0.099013000000
  0.000018300000 -0.000041800000 -0.024776300000  0.458244600000
 -0.000007200000  0.000007000000  0.000187000000  0.575225900000
  0.000001900000 -0.000000100000 -0.000084600000  0.159842200000
* d-type functions
   15    2    2
      12216.87000000
       3315.63610000
       1219.37600000
        522.94735000
        247.25139000
        124.15130000
         64.98098000
         34.75601200
         18.92465200
         10.32849300
          5.56716760
          2.95377670
          1.52127920
          0.74548492
          0.36712920
  0.000064600000 -0.000030100000
  0.000456000000 -0.000213200000
  0.002497700000 -0.001168300000
  0.011007700000 -0.005191700000
  0.038479300000 -0.018263100000
  0.106427200000 -0.051481700000
  0.223127400000 -0.108509800000
  0.334591200000 -0.158399900000
  0.319399700000 -0.115038100000
  0.156487400000  0.118409600000
  0.030791000000  0.379973600000
  0.001915200000  0.414542900000
  0.000187500000  0.210659300000
  0.000024100000  0.040180500000
  0.000008100000  0.002809800000
* f-type functions
   10    1    0
        377.73288000
        130.12154000
         56.17466400
         26.35374500
         12.80968900
          6.27136850
          2.97700120
          1.35048760
          0.56805858
          0.21060250
 -0.000476000000
 -0.004100500000
 -0.019919700000
 -0.064621000000
 -0.158299100000
 -0.274217200000
 -0.342542700000
 -0.309174500000
 -0.197789700000
 -0.069597400000
End of Spectral Representation Operator

/Eu.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.17el.
T. Tsuchiya, T. Nakajima, K. Hirao, L. Seijo. Chem. Phys. Lett. 361 (2002) 334-340. doi:10.1016/s0009-2614(02)00953-3
EUROPIUM (14s,10p,9d,8f) -> [2s,1p,1d,1f]
********************************************************************************
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Eu(10D)
********************************************************************************
    17.0   3
* s-type functions
   14    2
     842151.75340000
      89422.04733000
      14493.01614000
       3141.78908200
        854.67633710
        140.69293990
         78.18271972
         16.27007703
      31760.62436e-4
      80903.81514e-5
      63562.93512e-5
      25330.06321e-5
       5324.66776e-5
       2240.77645e-5
 -0.000256596340  0.000066746104
 -0.001065825100  0.000277249250
 -0.004049438600  0.001053417400
 -0.013371896000  0.003479066700
 -0.028487337000  0.007414434200
  0.051409989000 -0.013441673000
  0.145354810000 -0.038016150000
 -0.526125040000  0.140594190000
  0.981528670000 -0.287314000000
  0.453289170000 -0.129729230000
 -1.287922000000  0.467751670000
 -0.407900860000  0.313613270000
 -0.009616281700 -0.687182250000
 -0.001968792700 -0.502315600000
* p-type functions
   10    1
       2991.64697700
        617.71369110
        181.01681970
         25.68069584
         10.34105920
      66999.48467e-4
      31748.54786e-4
      75207.35463e-5
      34029.18481e-5
      14173.99979e-5
 -0.003164118800
 -0.019480229000
 -0.054080278000
  0.181646180000
  0.130803020000
 -0.269350730000
 -0.350418550000
  0.499653810000
  0.523181270000
  0.135130840000
* d-type functions
    9    1
        331.86791220
         95.45823461
         34.64004217
      72118.50816e-4
      35976.65691e-4
      73872.14593e-5
       3604.19669e-4
      16535.05185e-5
       5358.72172e-5
  0.004175667200
  0.022612961000
  0.043569292000
 -0.068225223000
 -0.110027560000
  0.160051300000
  0.232810560000
  0.402835590000
  0.464097690000
* f-type functions
    8    1
        136.44425800
         46.18190070
         18.62501123
      81994.77008e-4
      36676.82085e-4
      16044.94459e-4
      65463.41566e-5
      23143.53164e-5
  0.005727975900
  0.038567399000
  0.132642680000
  0.273994810000
  0.361215330000
  0.333085970000
  0.214969360000
  0.083465202000
********************************************************************************
* Core AIMP:Eu DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  4.9730099000e5  1.0375574500e5  3.1101385500e4  1.0441905800e4  3.7963084300e3  1.4130245400e3  5.3449274900e2  2.4003428400e2 81.816673200000 40.749591100000  7.473120660000
  4.057628040000  1.985162800000
  0.030513622716  0.028094924706  0.046413260026  0.073009611126  0.101504840368  0.125607422079  0.220243831339  0.288252319514  0.236360773528  0.663745088410  0.560828722079
  0.303345997811  0.027961939240
M2
  0
COREREP
 1.0
PROJOP
    2
   27    4
  3.5840676000e3  5.9705226000e2  1.3487159400e2 28.269132000000
46045172000.00000000
 4485017200.00000000
  747161430.00000000
  159546230.00000000
   40057315.00000000
   11199137.00000000
    3420574.60000000
    1124291.30000000
     393695.58000000
     145292.72000000
      55888.76400000
      22195.69700000
       9053.27730000
       3788.04230000
       1627.10180000
        719.14933000
        327.97124000
        138.91051000
         63.93183900
         25.25874400
         13.07579600
          5.05752310
          2.50583490
          0.69428041
          0.29949827
        421.33863e-4
          0.01808596
  0.000003894904 -0.000001411570  0.000000653720  0.000000312594
  0.000015433247 -0.000005587141  0.000002586784  0.000001236956
  0.000045475262 -0.000016447611  0.000007615247  0.000003641129
  0.000118865610 -0.000042985261  0.000019897697  0.000009514589
  0.000284791671 -0.000102952930  0.000047666907  0.000022790419
  0.000644361822 -0.000233167071  0.000107933380  0.000051614171
  0.001383559305 -0.000500969542  0.000232042711  0.000110943529
  0.002863366609 -0.001040568404  0.000481870342  0.000230491368
  0.005774684819 -0.002104503007  0.000976186633  0.000466754215
  0.011535384038 -0.004246929915  0.001969277207  0.000942648781
  0.023173698076 -0.008606949030  0.004008049214  0.001916924381
  0.047093059155 -0.017970450063  0.008368646829  0.004013052360
  0.095917789315 -0.037739717133  0.017763212061  0.008507714815
  0.186330090611 -0.079503582280  0.037614972128  0.018126040819
  0.308422651012 -0.148619040523  0.072591503248  0.034996880650
  0.337252191106 -0.211626580745  0.106348000363  0.052204157478
  0.161607880530 -0.057338555202  0.029163191099  0.013393276866
  0.015061988049  0.478046381683 -0.384985171313 -0.206600187934
 -0.001014012703  0.583804672055 -0.621628412120 -0.373716696263
  0.000342148971  0.109440050385  0.409454621396  0.379501376205
 -0.000236119981 -0.019872258070  0.848938092895  1.007191089928
  0.000103747260  0.006886508324  0.120874030412 -0.573816424262
 -0.000046433355 -0.003292994612 -0.017018591058 -0.875148181249
  0.000014219034  0.000964343413  0.004116021714 -0.055680721443
 -0.000006622771 -0.000431793862 -0.001809676406  0.012348742877
  0.000001668210  0.000110083810  0.000405479361 -0.002752804072
 -0.000000865986 -0.000057231097 -0.000239315841  0.001261247787
   23    3
  5.3214090000e2  1.1417827600e2 21.257652000000
   51523334.00000000
    7378856.50000000
    1528183.50000000
     389111.97000000
     115202.54000000
      38450.01300000
      14218.48100000
       5732.30990000
       2484.36290000
       1142.68870000
        552.73520000
        278.57995000
        145.30808000
         77.61087000
         41.92405600
         22.79218200
         12.47792100
          6.65027820
          3.48860580
          1.79369800
          0.81792369
          0.36191296
          0.15114220
  0.000004831024 -0.000002368206 -0.000001112529
  0.000016038960 -0.000007866254 -0.000003695662
  0.000047304010 -0.000023217313 -0.000010910085
  0.000131488870 -0.000064625188 -0.000030373853
  0.000359758780 -0.000177126351 -0.000083297847
  0.000990509901 -0.000489191042 -0.000230124360
  0.002769735603 -0.001373245005 -0.000646916669
  0.007831217908 -0.003910551413 -0.001843587497
  0.021910743022 -0.011061154038 -0.005232606793
  0.057932898057 -0.029864273102 -0.014175512980
  0.134915060132 -0.071914155246 -0.034444851952
  0.252720140248 -0.141460240483 -0.068404598905
  0.338588180332 -0.197849950676 -0.097118224866
  0.268588550264 -0.112248400384 -0.046920292935
  0.097284322096  0.201958810690  0.143858689801
  0.010336776010  0.504544541724  0.387093149464
  0.000520164261  0.359514521229  0.227489199685
 -0.000231196740  0.078347531268 -0.374309449482
  0.000004349368  0.003412565612 -0.605803199161
 -0.000041576378  0.000778097783 -0.246669539658
  0.000012981932 -0.000149366221 -0.020710992971
 -0.000004791144  0.000048004276 -0.000075263737
  0.000001376636 -0.000013610361 -0.000097035760
   15    2
 86.124358000000 11.185920000000
      14062.75700000
       3847.40270000
       1595.30510000
        645.84370000
        276.36480000
        131.42685000
         66.95741100
         34.29572600
         17.34259100
          8.48915470
          4.02045220
          1.80089000
          0.66724695
          0.20284171
        562.34627e-4
  0.000058732341 -0.000027409270
  0.000333729679 -0.000157756219
  0.001558248996 -0.000729337194
  0.009056036378 -0.004300427266
  0.037866791909 -0.018028540859
  0.109217569737 -0.053255617582
  0.236364679430 -0.115287749095
  0.374873769096 -0.178527478599
  0.335210599191 -0.089493477298
  0.112342419729  0.278453257815
  0.007333031382  0.529594225844
  0.000812904568  0.317360237510
 -0.000125156060  0.042035148670
  0.000067585044 -0.001470546688
 -0.000007952140  0.000570270326
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
* Spin-Orbit-Core basis set:
*
* /Eu.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* T. Tsuchiya, M. Abe, T. Nakajima, K. Hirao. J. Chem. Phys. 115 (2001) 4463-4472. doi:10.1063/1.1390515
********************************************************************************
    3
* s-type functions
   27    6    4
41753920000.00000000
 4331707200.00000000
  729478250.00000000
  158296650.00000000
   39990152.00000000
   11163095.00000000
    3437222.90000000
    1136301.60000000
     395605.22000000
     146451.77000000
      56443.63500000
      22455.76100000
       9165.87310000
       3816.15440000
       1630.94870000
        719.13229000
        327.90922000
        139.55141000
         64.32402900
         25.73302600
         13.29067100
          5.18929660
          2.56745760
          0.69145127
          0.31445469
          0.05410505
        224.36888e-4
  0.000004100000 -0.000001500000  0.000000700000  0.000000300000  0.000000100000  0.000000000000
  0.000015600000 -0.000005700000  0.000002600000  0.000001300000  0.000000500000  0.000000100000
  0.000045900000 -0.000016600000  0.000007700000  0.000003700000  0.000001400000  0.000000400000
  0.000118400000 -0.000042800000  0.000019800000  0.000009500000  0.000003700000  0.000000900000
  0.000285300000 -0.000103100000  0.000047800000  0.000022800000  0.000008900000  0.000002300000
  0.000644900000 -0.000233400000  0.000108000000  0.000051700000  0.000020000000  0.000005100000
  0.001364500000 -0.000494100000  0.000228800000  0.000109400000  0.000042400000  0.000010900000
  0.002850800000 -0.001035900000  0.000479700000  0.000229500000  0.000089000000  0.000022800000
  0.005766100000 -0.002101500000  0.000974700000  0.000466000000  0.000180700000  0.000046200000
  0.011413500000 -0.004201300000  0.001948300000  0.000932500000  0.000361700000  0.000092500000
  0.022981700000 -0.008535800000  0.003974100000  0.001900800000  0.000736800000  0.000188600000
  0.046507100000 -0.017735900000  0.008261300000  0.003960500000  0.001537200000  0.000393100000
  0.095213300000 -0.037451700000  0.017619000000  0.008440400000  0.003272100000  0.000838100000
  0.186607600000 -0.079507600000  0.037633500000  0.018125800000  0.007043300000  0.001800600000
  0.309440500000 -0.149165000000  0.072795200000  0.035113400000  0.013630500000  0.003493600000
  0.337773600000 -0.211601200000  0.106476200000  0.052210500000  0.020379300000  0.005206100000
  0.161345300000 -0.058207200000  0.029356900000  0.013612800000  0.005189800000  0.001353200000
  0.015123700000  0.474094800000 -0.380160600000 -0.204207200000 -0.081115900000 -0.020890200000
 -0.000982500000  0.585221500000 -0.625269700000 -0.374815400000 -0.153334400000 -0.039364600000
  0.000333800000  0.111925900000  0.383045300000  0.350710100000  0.158067600000  0.040822800000
 -0.000230700000 -0.018923200000  0.865853000000  1.027673900000  0.489894500000  0.129709300000
  0.000100900000  0.006579700000  0.129128200000 -0.521460700000 -0.362461100000 -0.101681700000
 -0.000044400000 -0.003108900000 -0.017224600000 -0.915665300000 -0.811851700000 -0.232880800000
  0.000014400000  0.000955600000  0.004419400000 -0.064941800000  0.718307300000  0.256684000000
 -0.000007400000 -0.000474300000 -0.002173500000  0.017196800000  0.618448000000  0.409411900000
  0.000001900000  0.000125200000  0.000546700000 -0.003698700000  0.018920200000 -0.707383500000
 -0.000000900000 -0.000059700000 -0.000260300000  0.001723800000 -0.006221200000 -0.474038500000
* p-type functions
   23    4    3
   52080119.00000000
    7426973.50000000
    1533746.70000000
     390308.35000000
     115417.93000000
      38522.26400000
      14239.52800000
       5738.56650000
       2485.17560000
       1142.71220000
        552.65847000
        278.57730000
        145.26948000
         77.63113800
         41.91570600
         22.84480200
         12.53781000
          6.66931630
          3.48703570
          1.77902950
          0.82039295
          0.37091560
          0.15381136
  0.000004800000 -0.000002400000 -0.000001100000 -0.000000400000
  0.000016000000 -0.000007800000 -0.000003700000 -0.000001300000
  0.000047200000 -0.000023200000 -0.000010900000 -0.000003800000
  0.000131300000 -0.000064500000 -0.000030300000 -0.000010500000
  0.000359200000 -0.000176900000 -0.000083200000 -0.000028800000
  0.000988800000 -0.000488300000 -0.000229700000 -0.000079500000
  0.002765400000 -0.001371100000 -0.000645800000 -0.000224000000
  0.007827800000 -0.003908600000 -0.001842200000 -0.000637800000
  0.021912000000 -0.011062600000 -0.005232400000 -0.001817000000
  0.057960100000 -0.029876100000 -0.014177500000 -0.004913100000
  0.134902600000 -0.071916500000 -0.034440800000 -0.011995500000
  0.252787100000 -0.141475300000 -0.068391500000 -0.023764900000
  0.338594100000 -0.197934600000 -0.097157500000 -0.034094400000
  0.268356200000 -0.111913000000 -0.046697100000 -0.015357200000
  0.097552300000  0.201217000000  0.143297900000  0.052780000000
  0.010099700000  0.501840400000  0.384917300000  0.148989400000
  0.000705900000  0.361178300000  0.229828700000  0.077092600000
 -0.000330400000  0.080106000000 -0.372043600000 -0.184919200000
  0.000059000000  0.003107100000 -0.610674500000 -0.348678300000
 -0.000068800000  0.000930600000 -0.244919600000 -0.070845600000
  0.000025200000 -0.000223600000 -0.019522600000  0.468041400000
 -0.000009800000  0.000078900000 -0.000459700000  0.563338400000
  0.000002500000 -0.000018700000  0.000070100000  0.153948500000
* d-type functions
   15    2    2
      23454.04800000
       5307.43410000
       1681.97360000
        647.36034000
        282.82798000
        133.85854000
         66.86575100
         34.39598700
         18.10674200
          9.52197550
          4.91578700
          2.48458150
          1.18768890
          0.44422386
          0.31169105
  0.000026800000 -0.000012500000
  0.000243200000 -0.000114400000
  0.001664800000 -0.000781300000
  0.008859000000 -0.004198100000
  0.035834900000 -0.017067500000
  0.109203200000 -0.053105100000
  0.241354600000 -0.117938600000
  0.361551500000 -0.171434800000
  0.318844500000 -0.097486400000
  0.129212200000  0.193044700000
  0.017140100000  0.446792200000
  0.000937900000  0.384444000000
  0.000041700000  0.134182300000
  0.000071000000  0.012372400000
 -0.000032600000 -0.001850300000
* f-type functions
   10    1    0
        383.60428000
        131.79513000
         56.25974100
         26.33227700
         12.92749100
          6.43609190
          3.13663250
          1.46706900
          0.63278294
          0.23742282
 -0.000519200000
 -0.004561000000
 -0.022372700000
 -0.070627900000
 -0.165297900000
 -0.272764200000
 -0.330403300000
 -0.299303200000
 -0.197962800000
 -0.073661600000
End of Spectral Representation Operator

/Gd.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.18el.
T. Tsuchiya, T. Nakajima, K. Hirao, L. Seijo. Chem. Phys. Lett. 361 (2002) 334-340. doi:10.1016/s0009-2614(02)00953-3
GADOLINIUM (14s,10p,9d,8f) -> [2s,1p,1d,1f]
********************************************************************************
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Gd(9D)
********************************************************************************
    18.0   3
* s-type functions
   14    2
     906061.90650000
      92373.72889000
      15190.71499000
       3339.82412900
        907.03515010
        139.05460940
         80.37370402
         16.92417071
      33598.04257e-4
      89470.23875e-5
       7230.08016e-4
      30104.03643e-5
       6562.10791e-5
       2585.76937e-5
 -0.000271227650  0.000072925754
 -0.001136603500  0.000305598910
 -0.004164285300  0.001119776100
 -0.013560010000  0.003646376600
 -0.029380688000  0.007905015900
  0.060841101000 -0.016469252000
  0.141957450000 -0.038311173000
 -0.547164140000  0.150948210000
  1.014616600000 -0.306309980000
  0.632288520000 -0.248432410000
 -1.434904800000  0.598286520000
 -0.445427690000  0.336157220000
 -0.011161109000 -0.704342950000
  0.002828809800 -0.504771420000
* p-type functions
   10    1
       3173.20740200
        649.22511360
        189.20633520
         26.69620368
         10.03868083
      75131.66012e-4
      33779.90773e-4
      81703.57032e-5
      37584.01955e-5
      15134.42912e-5
 -0.003266365700
 -0.020207521000
 -0.056745893000
  0.191427860000
  0.213071380000
 -0.347555830000
 -0.379266230000
  0.511605470000
  0.534319630000
  0.114250750000
* d-type functions
    9    1
        371.78366400
        106.35606870
         37.94770978
      69171.67834e-4
      34166.30942e-4
       7820.01984e-4
       3298.95953e-4
      13862.83793e-5
       5670.02327e-5
  0.004964785500
  0.028348939000
  0.060184320000
 -0.118754360000
 -0.123417360000
  0.259463730000
  0.435607130000
  0.365908170000
  0.163375260000
* f-type functions
    8    1
        157.75218070
         53.54183075
         21.79096478
          9.70348568
      44307.68212e-4
      19984.39544e-4
      85428.83878e-5
      32540.96571e-5
  0.004850759100
  0.034015434000
  0.120929190000
  0.262241560000
  0.359120430000
  0.339352810000
  0.216147720000
  0.073262279000
********************************************************************************
* Core AIMP:Gd DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.1718671900e5  1.0714235000e5  3.1959772200e4  1.0689015600e4  3.8750660700e3  1.4425898000e3  5.5002370600e2  2.4859955400e2 85.257590000000 42.634675200000  7.779062940000
  4.217057810000  2.083543390000
  0.028939578601  0.026814882051  0.044345005996  0.069746740303  0.096527738026  0.118992726438  0.208329372350  0.270384564634  0.221049903324  0.628098267635  0.542117920204
  0.276781282777  0.023427573216
M2
  0
COREREP
 1.0
PROJOP
    2
   27    4
  3.7119222000e3  6.2168420000e2  1.4152271400e2 30.197702000000
37001721000.00000000
 4423337400.00000000
  736627460.00000000
  157466940.00000000
   39988049.00000000
   11295642.00000000
    3442911.20000000
    1134401.60000000
     396957.84000000
     146564.47000000
      56594.52400000
      22562.05300000
       9206.73320000
       3830.10310000
       1630.51860000
        716.19740000
        325.13703000
        141.13836000
         65.40259600
         26.42438900
         13.67116900
          5.37568620
          2.67915040
          0.76814741
          0.35394983
        628.75056e-4
        255.54319e-4
  0.000004554243 -0.000001657669  0.000000769777  0.000000369780
  0.000016091369 -0.000005850273  0.000002715945  0.000001304680
  0.000049476549 -0.000017971817  0.000008343405  0.000004007625
  0.000127202291 -0.000046193497  0.000021440579  0.000010299375
  0.000300030332 -0.000108924031  0.000050567140  0.000024288173
  0.000679073613 -0.000246749561  0.000114530019  0.000055019684
  0.001459357307 -0.000530704733  0.000246474858  0.000118386322
  0.003001578415 -0.001095315306  0.000508611837  0.000244395775
  0.006060647531 -0.002218951412  0.001032037294  0.000495743689
  0.012016092061 -0.004442650023  0.002065853487  0.000993392509
  0.023935055122 -0.008936911647  0.004173039975  0.002005186738
  0.048363931247 -0.018537910097  0.008658888047  0.004171110879
  0.098465585503 -0.039002486204  0.018408762888  0.008859535068
  0.192173160982 -0.082489334431  0.039170458761  0.018961375360
  0.315592061612 -0.154093580805  0.075548085539  0.036615245694
  0.334774301710 -0.211907781107  0.107052019347  0.052813740002
  0.149620120764 -0.040738450213  0.019361230882  0.008458869060
  0.011685038060  0.489850762559 -0.398830767566 -0.215714544091
 -0.000094915495  0.568616632971 -0.611475476269 -0.370800747032
 -0.000175670361  0.104290520545  0.415760857463  0.386390697328
  0.000097906722 -0.017181259090  0.845728344839  1.012853019208
 -0.000055723037  0.006020161631  0.124689859239 -0.550164080434
  0.000033727448 -0.002928946315 -0.017307784894 -0.896312476998
 -0.000011723754  0.000939032115  0.004630861272 -0.064143437216
  0.000005636001 -0.000454487402 -0.002225197186  0.015375084292
 -0.000001456199  0.000115405851  0.000536157067 -0.003119634859
  0.000000674550 -0.000053425791 -0.000247818918  0.001404224627
   23    3
  5.5352878000e2  1.1989811200e2 22.857284000000
   52152768.00000000
    7440218.20000000
    1535484.40000000
     390559.57000000
     115469.69000000
      38541.38300000
      14246.67200000
       5740.20120000
       2485.27940000
       1142.78990000
        552.63076000
        278.51980000
        145.30926000
         77.64298100
         41.88607700
         22.88097100
         12.55486200
          6.66949590
          3.48098420
          1.76614860
          0.81730209
          0.37081054
          0.15135526
  0.000005151546 -0.000002534338 -0.000001197378
  0.000017163275 -0.000008447808 -0.000003991619
  0.000050617539 -0.000024933452 -0.000011783490
  0.000140625890 -0.000069368018 -0.000032791025
  0.000384246739 -0.000189890740 -0.000089810867
  0.001055599898 -0.000523315811 -0.000247618312
  0.002945803394 -0.001466390704 -0.000694753406
  0.008317858982 -0.004170758610 -0.001978060317
  0.023196600951 -0.011764766028 -0.005598040649
  0.061006692870 -0.031611225076 -0.015099638133
  0.140830579700 -0.075526086182 -0.036400176322
  0.260087239447 -0.146547790353 -0.071360894631
  0.339972139277 -0.199278970481 -0.098336732869
  0.259693199448 -0.099325703240 -0.039519209349
  0.088816417811  0.226395770546  0.161814681430
  0.008217903583  0.508531871226  0.396494513503
  0.000646265989  0.339797670820  0.197592141746
 -0.000334856589  0.068986662166 -0.414423033662
  0.000060935034  0.002446492206 -0.602513575324
 -0.000063795920  0.000745561162 -0.212368991877
  0.000024670506 -0.000193227110 -0.013385647118
 -0.000009257502  0.000061298769 -0.000667535276
  0.000002389898 -0.000014903993  0.000157019741
   15    2
 90.910870000000 12.381875000000
      19762.54400000
       4952.93960000
       1693.28150000
        698.38712000
        305.48376000
        140.53492000
         67.86090500
         33.70837200
         17.12325000
          8.61408110
          4.19848780
          1.95085180
          0.78058449
          0.28167361
        905.59037e-4
  0.000035516533 -0.000016740325
  0.000284578752 -0.000135636609
  0.001625267112 -0.000769209565
  0.007970776061 -0.003825283275
  0.034450699264 -0.016559630892
  0.112752850863 -0.055487671638
  0.260362521992 -0.128478829161
  0.388508372972 -0.185068228791
  0.311225332381 -0.067811160557
  0.099096490758  0.288845158113
  0.007480344457  0.511371076660
  0.000579686584  0.311691247964
 -0.000055404141  0.047270009691
  0.000052808097 -0.001330573691
 -0.000001573700  0.000664091196
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
* Spin-Orbit-Core basis set:
*
* /Gd.DK3.Tsuchiya.27s23p15d10f.6s4p3d1f.
* T. Tsuchiya, M. Abe, T. Nakajima, K. Hirao. J. Chem. Phys. 115 (2001) 4463-4472. doi:10.1063/1.1390515
********************************************************************************
    3
* s-type functions
   27    6    4
37001721000.00000000
 4423337400.00000000
  736627460.00000000
  157466940.00000000
   39988049.00000000
   11295642.00000000
    3442911.20000000
    1134401.60000000
     396957.84000000
     146564.47000000
      56594.52400000
      22562.05300000
       9206.73320000
       3830.10310000
       1630.51860000
        716.19740000
        325.13703000
        141.13836000
         65.40259600
         26.42438900
         13.67116900
          5.37568620
          2.67915040
          0.76814741
          0.35394983
        628.75056e-4
        255.54319e-4
  0.000004600000 -0.000001700000  0.000000800000  0.000000400000  0.000000100000  0.000000000000
  0.000016100000 -0.000005900000  0.000002700000  0.000001300000  0.000000500000  0.000000100000
  0.000049500000 -0.000018000000  0.000008300000  0.000004000000  0.000001600000  0.000000400000
  0.000127200000 -0.000046200000  0.000021400000  0.000010300000  0.000004100000  0.000001100000
  0.000300000000 -0.000108900000  0.000050600000  0.000024300000  0.000009600000  0.000002600000
  0.000679100000 -0.000246700000  0.000114500000  0.000055000000  0.000021800000  0.000005800000
  0.001459400000 -0.000530700000  0.000246500000  0.000118400000  0.000046900000  0.000012600000
  0.003001600000 -0.001095300000  0.000508600000  0.000244400000  0.000096800000  0.000026000000
  0.006060600000 -0.002219000000  0.001032000000  0.000495700000  0.000196200000  0.000052700000
  0.012016100000 -0.004442700000  0.002065900000  0.000993400000  0.000393400000  0.000105600000
  0.023935100000 -0.008936900000  0.004173000000  0.002005200000  0.000793600000  0.000213200000
  0.048363900000 -0.018537900000  0.008658900000  0.004171100000  0.001653000000  0.000443700000
  0.098465600000 -0.039002500000  0.018408800000  0.008859500000  0.003506700000  0.000942300000
  0.192173200000 -0.082489300000  0.039170500000  0.018961400000  0.007523900000  0.002019600000
  0.315592100000 -0.154093600000  0.075548100000  0.036615200000  0.014511300000  0.003901300000
  0.334774300000 -0.211907800000  0.107052000000  0.052813700000  0.021062000000  0.005653100000
  0.149620100000 -0.040738400000  0.019361200000  0.008458900000  0.003200900000  0.000872500000
  0.011685000000  0.489850800000 -0.398830800000 -0.215714500000 -0.087518600000 -0.023626100000
 -0.000094900000  0.568616600000 -0.611475500000 -0.370800700000 -0.155360900000 -0.041966700000
 -0.000175700000  0.104290500000  0.415760900000  0.386390700000  0.178816400000  0.048837600000
  0.000097900000 -0.017181300000  0.845728300000  1.012853000000  0.494222900000  0.137200100000
 -0.000055700000  0.006020200000  0.124689900000 -0.550163900000 -0.389848300000 -0.114198800000
  0.000033700000 -0.002928900000 -0.017307800000 -0.896312400000 -0.831703500000 -0.255124100000
 -0.000011700000  0.000939000000  0.004630900000 -0.064143500000  0.707332400000  0.278362100000
  0.000005600000 -0.000454500000 -0.002225200000  0.015375000000  0.650145300000  0.426377400000
 -0.000001500000  0.000115400000  0.000536200000 -0.003119700000  0.022223500000 -0.708787600000
  0.000000700000 -0.000053400000 -0.000247800000  0.001404300000 -0.006967100000 -0.481436000000
* p-type functions
   23    4    3
   52152768.00000000
    7440218.20000000
    1535484.40000000
     390559.57000000
     115469.69000000
      38541.38300000
      14246.67200000
       5740.20120000
       2485.27940000
       1142.78990000
        552.63076000
        278.51980000
        145.30926000
         77.64298100
         41.88607700
         22.88097100
         12.55486200
          6.66949590
          3.48098420
          1.76614860
          0.81730209
          0.37081054
          0.15135526
  0.000005200000 -0.000002500000 -0.000001200000 -0.000000400000
  0.000017200000 -0.000008400000 -0.000004000000 -0.000001400000
  0.000050600000 -0.000024900000 -0.000011800000 -0.000004200000
  0.000140600000 -0.000069400000 -0.000032800000 -0.000011700000
  0.000384200000 -0.000189900000 -0.000089800000 -0.000032100000
  0.001055600000 -0.000523300000 -0.000247600000 -0.000088300000
  0.002945800000 -0.001466400000 -0.000694800000 -0.000248200000
  0.008317900000 -0.004170800000 -0.001978100000 -0.000705600000
  0.023196600000 -0.011764800000 -0.005598000000 -0.002002800000
  0.061006700000 -0.031611200000 -0.015099600000 -0.005391600000
  0.140830600000 -0.075526100000 -0.036400200000 -0.013064000000
  0.260087200000 -0.146547800000 -0.071360900000 -0.025554000000
  0.339972100000 -0.199279000000 -0.098336700000 -0.035562500000
  0.259693200000 -0.099325700000 -0.039519200000 -0.013103000000
  0.088816400000  0.226395800000  0.161814700000  0.061572300000
  0.008217900000  0.508531900000  0.396494500000  0.158749400000
  0.000646300000  0.339797700000  0.197592100000  0.064417900000
 -0.000334900000  0.068986700000 -0.414423000000 -0.212369400000
  0.000060900000  0.002446500000 -0.602513600000 -0.364916900000
 -0.000063800000  0.000745600000 -0.212369000000 -0.023814500000
  0.000024700000 -0.000193200000 -0.013385600000  0.531662900000
 -0.000009300000  0.000061300000 -0.000667500000  0.525614800000
  0.000002400000 -0.000014900000  0.000157000000  0.110510400000
* d-type functions
   15    3    2
      19762.54400000
       4952.93960000
       1693.28150000
        698.38712000
        305.48376000
        140.53492000
         67.86090500
         33.70837200
         17.12325000
          8.61408110
          4.19848780
          1.95085180
          0.78058449
          0.28167361
        905.59037e-4
  0.000035500000 -0.000016700000  0.000003900000
  0.000284600000 -0.000135600000  0.000032100000
  0.001625300000 -0.000769200000  0.000180700000
  0.007970800000 -0.003825300000  0.000906400000
  0.034450700000 -0.016559600000  0.003903400000
  0.112752900000 -0.055487700000  0.013186200000
  0.260362500000 -0.128478800000  0.030381300000
  0.388508400000 -0.185068200000  0.043916200000
  0.311225300000 -0.067811200000  0.011545700000
  0.099096500000  0.288845200000 -0.082697200000
  0.007480300000  0.511371100000 -0.146388900000
  0.000579700000  0.311691200000 -0.033103800000
 -0.000055400000  0.047270000000  0.299059000000
  0.000052800000 -0.001330600000  0.542658100000
 -0.000001600000  0.000664100000  0.379189900000
* f-type functions
   10    1    0
        383.57372000
        131.68830000
         56.21669300
         26.30729400
         12.94802400
          6.44450780
          3.13348510
          1.46953790
          0.65277113
          0.26165607
 -0.000611300000
 -0.005338300000
 -0.025803800000
 -0.080164000000
 -0.182581600000
 -0.292678200000
 -0.340575800000
 -0.280991100000
 -0.157430700000
 -0.045648500000
End of Spectral Representation Operator

/Tb.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.19el.
T. Tsuchiya, T. Nakajima, K. Hirao, L. Seijo. Chem. Phys. Lett. 361 (2002) 334-340. doi:10.1016/s0009-2614(02)00953-3
TERBIUM (14s,10p,9d,8f) -> [2s,1p,1d,1f]
********************************************************************************
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Tb(8H)
********************************************************************************
    19.0   3
* s-type functions
   14    2
     965456.30050000
      96045.06971000
      15404.23795000
       3361.34569900
        919.25561920
        149.71687500
         84.52187590
         17.64081194
      35274.55604e-4
      90262.01898e-5
      73221.37453e-5
      28343.28917e-5
       7100.20234e-5
       2752.20387e-5
 -0.000276740210  0.000074170164
 -0.001181973500  0.000316780420
 -0.004360381900  0.001168769600
 -0.014036184000  0.003762306500
 -0.029225025000  0.007838365600
  0.056113807000 -0.015143121000
  0.147351890000 -0.039637340000
 -0.548277150000  0.150727440000
  1.008603700000 -0.302825690000
  0.700675320000 -0.286882700000
 -1.565770000000  0.670773900000
 -0.385128100000  0.313871810000
  0.000662957290 -0.684285070000
 -0.001297864700 -0.540252010000
* p-type functions
   10    1
       3274.40492500
        670.01807860
        195.43760580
         27.88482462
         10.48182046
      82629.04032e-4
      36238.07672e-4
      83254.46764e-5
      38508.36527e-5
      15855.75401e-5
 -0.003320758900
 -0.020398725000
 -0.056712930000
  0.190102700000
  0.258028740000
 -0.372770450000
 -0.390653320000
  0.522611820000
  0.516749020000
  0.115699170000
* d-type functions
    9    1
        386.88187010
        110.80222200
         39.67728649
      71260.97333e-4
      34558.08138e-4
      82796.69422e-5
      34675.00205e-5
      13620.56176e-5
       5017.76221e-5
  0.004675444900
  0.026680900000
  0.056640459000
 -0.117045220000
 -0.111975660000
  0.234124410000
  0.431257480000
  0.410448770000
  0.163380230000
* f-type functions
    8    1
        163.40235250
         55.49312839
         22.65052459
         10.11723949
      46099.16006e-4
      20617.77256e-4
      87206.26772e-5
      32925.69883e-5
  0.004995758700
  0.034928775000
  0.123147590000
  0.264456920000
  0.360707560000
  0.338907270000
  0.214252230000
  0.072782701000
********************************************************************************
* Core AIMP:Tb DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.2607683000e5  1.1050147200e5  3.3358107500e4  1.1251205800e4  4.1061769100e3  1.5396164900e3  5.8423908600e2  2.6143493500e2 89.611478000000  2.183384200000 44.589853700000
  8.141769420000  4.419978100000
  0.027687083380  0.025299498733  0.041612186068  0.065274978345  0.090301290386  0.111465122282  0.195603587101  0.260157112501  0.207011554675  0.022382204336  0.598301304280
  0.513072532404  0.262884177088
M2
  0
COREREP
 1.0
PROJOP
    2
   27    4
  3.8418458000e3  6.4624782000e2  1.4759473000e2 31.449930000000
65091744000.00000000
 6744681700.00000000
  929291610.00000000
  174026880.00000000
   41601317.00000000
   12043871.00000000
    3877857.40000000
    1269757.40000000
     428350.01000000
     153672.11000000
      58226.27300000
      22827.78700000
       9285.39080000
       3911.97000000
       1692.08650000
        750.76820000
        343.14010000
        148.09589000
         68.58687500
         27.64626900
         14.31372800
          5.64379730
          2.80210580
          0.80485987
          0.36517341
        628.64471e-4
        264.58253e-4
  0.000003354433 -0.000001226896  0.000000571280  0.000000275080
  0.000014014364 -0.000005118633  0.000002382688  0.000001147290
  0.000049277269 -0.000017979078  0.000008368794  0.000004029333
  0.000135124489 -0.000049282219  0.000022934879  0.000011043043
  0.000314933328 -0.000114824061  0.000053445972  0.000025731448
  0.000655576545 -0.000239228462  0.000111330020  0.000053608363
  0.001386479990 -0.000506272305  0.000235739151  0.000113496170
  0.003012326978 -0.001103619211  0.000513823782  0.000247472260
  0.006254531455 -0.002299409523  0.001072143005  0.000516245240
  0.012459381910 -0.004625716947  0.002156933009  0.001039561800
  0.025005196820 -0.009380066895  0.004391070019  0.002115151801
  0.050643695635 -0.019515529197  0.009142959740  0.004414523401
  0.100748529273 -0.040148960406  0.019005595084  0.009169577803
  0.190863178623 -0.082478813834  0.039284907173  0.019064696005
  0.309820377765 -0.151631681532  0.074545152328  0.036215153010
  0.331723407607 -0.209590052118  0.106079770466  0.052448480015
  0.153565298892 -0.045298709458  0.021778969096  0.009717545903
  0.013442946903  0.482201674873 -0.392707141726 -0.213010620061
 -0.000555945506  0.574730395809 -0.618016722715 -0.375220710108
  0.000094068778  0.108033781092  0.405971651784  0.380159860109
 -0.000076128096 -0.018179850184  0.852228813745  1.021450300293
  0.000028559127  0.006398891765  0.125973390554 -0.547392750157
 -0.000008955461 -0.003083940031 -0.016891979074 -0.900290500258
  0.000002852334  0.000977474300  0.004453946220 -0.063743891018
 -0.000001538821 -0.000464905025 -0.002096542609  0.014758039004
  0.000000377360  0.000121784121  0.000520391242 -0.003089958801
 -0.000000181597 -0.000058549272 -0.000249769251  0.001446797800
   23    3
  5.7469538000e2  1.2500198400e2 23.788808000000
   52197004.00000000
    7443190.80000000
    1536201.20000000
     390674.54000000
     115476.05000000
      38541.81000000
      14246.78800000
       5740.35160000
       2485.25710000
       1142.79780000
        552.64275000
        278.50160000
        145.31972000
         77.63234500
         41.82482600
         22.90063400
         12.56611200
          6.66955430
          3.48067390
          1.76504460
          0.82445574
          0.37135699
          0.15294041
  0.000005532015 -0.000002731062 -0.000001293883
  0.000018419484 -0.000009098075 -0.000004310789
  0.000054250411 -0.000026818054 -0.000012709122
  0.000150583410 -0.000074547123 -0.000035338325
  0.000410884530 -0.000203802600 -0.000096656329
  0.001126661099 -0.000560645851 -0.000266051640
  0.003136798198 -0.001567624303 -0.000744771339
  0.008830769293 -0.004446264409 -0.002115170897
  0.024533041982 -0.012499572026 -0.005964837190
  0.064154266952 -0.033414240069 -0.016014934974
  0.146790079891 -0.079193382164 -0.038290803937
  0.267288839802 -0.151601160314 -0.074122349878
  0.340911719747 -0.200203570415 -0.098971191838
  0.250658329814 -0.085540323177 -0.031397022948
  0.080541494940  0.252095770522  0.180725749704
  0.006529704495  0.512381321061  0.404150379337
  0.000633529580  0.317883110658  0.161656419735
 -0.000353673240  0.059056912122 -0.450414639261
  0.000075633344  0.002029098604 -0.584992039040
 -0.000066459695  0.000607235171 -0.188420679691
  0.000026473917 -0.000148185710 -0.010939795982
 -0.000009841021  0.000044637059 -0.000693118279
  0.000002565385 -0.000010646161  0.000162290080
   15    2
 95.067864000000 12.942204000000
      20123.28800000
       3765.72710000
       1212.94570000
        508.62536000
        264.81919000
        143.99736000
         73.26641000
         36.75016700
         18.57118000
          9.25883510
          4.47804560
          2.07064800
          0.82623771
          0.29193384
        906.44129e-4
  0.000048473049 -0.000023023186
  0.000550259745 -0.000263115759
  0.003467155632 -0.001655194291
  0.013842248129 -0.006699151065
  0.034346972320 -0.016599677912
  0.100122760932 -0.049638432738
  0.243663552269 -0.120854189361
  0.384327033578 -0.185283429021
  0.326732253042 -0.083037664561
  0.107788411004  0.279367508523
  0.008402409878  0.516118147272
  0.000629972176  0.318957108314
 -0.000043845593  0.049206899740
  0.000046273065 -0.001329441993
 -0.000004073641  0.000620421527
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
* Spin-Orbit-Core basis set:
*
* /Tb.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* T. Tsuchiya, M. Abe, T. Nakajima, K. Hirao. J. Chem. Phys. 115 (2001) 4463-4472. doi:10.1063/1.1390515
********************************************************************************
    3
* s-type functions
   27    6    4
49360640000.00000000
 5926458300.00000000
 1008157400.00000000
  204930140.00000000
   49630464.00000000
   13544932.00000000
    4055933.90000000
    1298688.60000000
     439272.33000000
     157245.31000000
      59168.63000000
      23125.26100000
       9439.63580000
       4021.40970000
       1759.06050000
        786.87046000
        361.47966000
        151.76439000
         69.82561000
         27.83161200
         14.39973200
          5.53940690
          2.75073560
          0.76206539
          0.34217580
        577.36431e-4
        240.79136e-4
  0.000004000000 -0.000001500000  0.000000700000  0.000000300000  0.000000100000  0.000000000000
  0.000013800000 -0.000005000000  0.000002300000  0.000001100000  0.000000400000  0.000000100000
  0.000043000000 -0.000015700000  0.000007300000  0.000003500000  0.000001400000  0.000000300000
  0.000117100000 -0.000042700000  0.000019900000  0.000009600000  0.000003700000  0.000000900000
  0.000283600000 -0.000103400000  0.000048100000  0.000023100000  0.000008900000  0.000002200000
  0.000646700000 -0.000236000000  0.000109800000  0.000052800000  0.000020400000  0.000005100000
  0.001402900000 -0.000512200000  0.000238500000  0.000114600000  0.000044300000  0.000011100000
  0.002971000000 -0.001088600000  0.000506800000  0.000243700000  0.000094100000  0.000023600000
  0.006127600000 -0.002252000000  0.001050100000  0.000504700000  0.000194900000  0.000048900000
  0.012325800000 -0.004576600000  0.002134100000  0.001026700000  0.000396700000  0.000099500000
  0.024843700000 -0.009312900000  0.004359500000  0.002095900000  0.000809200000  0.000203200000
  0.050137400000 -0.019326600000  0.009054300000  0.004364300000  0.001687200000  0.000423000000
  0.098515600000 -0.039178500000  0.018545400000  0.008928200000  0.003447500000  0.000866000000
  0.184278100000 -0.079516200000  0.037850800000  0.018340300000  0.007099700000  0.001779300000
  0.300974200000 -0.145696300000  0.071531500000  0.034655200000  0.013397600000  0.003368400000
  0.332639500000 -0.208136800000  0.105081900000  0.051858100000  0.020165600000  0.005049200000
  0.167888300000 -0.062819300000  0.031784600000  0.014725900000  0.005594600000  0.001431800000
  0.017650500000  0.468348800000 -0.378346100000 -0.204245900000 -0.080832200000 -0.020419800000
 -0.001654000000  0.589769600000 -0.630598200000 -0.381318800000 -0.155469100000 -0.039118900000
  0.000707600000  0.113866500000  0.386976500000  0.364907500000  0.164400800000  0.041595900000
 -0.000465400000 -0.019619900000  0.866348700000  1.024695000000  0.486494300000  0.126337400000
  0.000211700000  0.006808600000  0.126821900000 -0.565298600000 -0.393945600000 -0.108417200000
 -0.000101700000 -0.003298100000 -0.018747800000 -0.879858900000 -0.782534800000 -0.219367600000
  0.000033300000  0.001023500000  0.004819400000 -0.059520400000  0.708226100000  0.243270100000
 -0.000016500000 -0.000493300000 -0.002291100000  0.014436600000  0.630765600000  0.407364900000
  0.000004300000  0.000130200000  0.000577600000 -0.003084400000  0.020409300000 -0.675197100000
 -0.000002100000 -0.000062800000 -0.000278000000  0.001451200000 -0.006889500000 -0.499841400000
* p-type functions
   23    4    3
   52333798.00000000
    7457206.10000000
    1537804.90000000
     390727.44000000
     115481.08000000
      38572.56500000
      14259.32800000
       5740.05790000
       2485.68970000
       1142.93970000
        552.53907000
        278.47833000
        145.29343000
         77.64929200
         41.84725100
         22.92884100
         12.59823000
          6.68866550
          3.49190360
          1.76786400
          0.81982907
          0.37009424
          0.15285821
  0.000005500000 -0.000002700000 -0.000001300000 -0.000000400000
  0.000018400000 -0.000009100000 -0.000004300000 -0.000001500000
  0.000054200000 -0.000026800000 -0.000012700000 -0.000004400000
  0.000150600000 -0.000074600000 -0.000035300000 -0.000012100000
  0.000410800000 -0.000203800000 -0.000096400000 -0.000033100000
  0.001124800000 -0.000559800000 -0.000264900000 -0.000091000000
  0.003136600000 -0.001567600000 -0.000742900000 -0.000255500000
  0.008835800000 -0.004449100000 -0.002111000000 -0.000725200000
  0.024515900000 -0.012491600000 -0.005946100000 -0.002047400000
  0.064186300000 -0.033433200000 -0.015981800000 -0.005496200000
  0.146827600000 -0.079220400000 -0.038209100000 -0.013196800000
  0.267320600000 -0.151632400000 -0.073937600000 -0.025507200000
  0.340924300000 -0.200232300000 -0.098755300000 -0.034339800000
  0.250424600000 -0.085435400000 -0.031216100000 -0.009712700000
  0.080683000000  0.251630100000  0.179790200000  0.066083900000
  0.006470800000  0.511464200000  0.402357100000  0.154691500000
  0.000697700000  0.318456600000  0.162226900000  0.047238300000
 -0.000385100000  0.059831800000 -0.444548900000 -0.218963100000
  0.000094300000  0.002012200000 -0.583987700000 -0.337721400000
 -0.000075800000  0.000685000000 -0.194376900000 -0.006383000000
  0.000030000000 -0.000159500000 -0.011993900000  0.501926200000
 -0.000011600000  0.000055500000 -0.000774800000  0.528050900000
  0.000003000000 -0.000012300000  0.000158400000  0.127746900000
* d-type functions
   15    2    2
      15348.02100000
       3986.64090000
       1420.55450000
        596.17142000
        277.48593000
        137.68273000
         71.29713900
         37.81903000
         20.48249200
         11.12734000
          5.99598030
          3.21769170
          1.71166020
          0.87911028
          0.37772273
  0.000058700000 -0.000027800000
  0.000431900000 -0.000205400000
  0.002436800000 -0.001158200000
  0.011038300000 -0.005295400000
  0.039445100000 -0.019036000000
  0.110968200000 -0.054656400000
  0.233977800000 -0.115694000000
  0.345393300000 -0.165818300000
  0.313200500000 -0.103725900000
  0.140655900000  0.152766100000
  0.024462900000  0.396330800000
  0.001687700000  0.387754100000
  0.000179500000  0.187539100000
  0.000076200000  0.041687500000
  0.000008100000  0.003035400000
* f-type functions
   10    1    0
        382.85976000
        131.39572000
         56.15113300
         26.28916300
         12.95412800
          6.45728240
          3.14445370
          1.46099850
          0.62713883
          0.23443126
 -0.000662300000
 -0.005739700000
 -0.027246100000
 -0.083386700000
 -0.184614600000
 -0.285180900000
 -0.327463000000
 -0.282904000000
 -0.181036100000
 -0.067821000000
End of Spectral Representation Operator

/Dy.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.20el.
T. Tsuchiya, T. Nakajima, K. Hirao, L. Seijo. Chem. Phys. Lett. 361 (2002) 334-340. doi:10.1016/s0009-2614(02)00953-3
DYSPROSIUM (14s,10p,9d,8f) -> [2s,1p,1d,1f]
********************************************************************************
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Dy(7K)
********************************************************************************
    20.0   3
* s-type functions
   14    2
    2091076.41300000
     134468.83760000
      18554.63098000
       3743.42022000
        982.12889600
        159.95355860
         89.55060158
         18.37687918
          3.72823603
      14219.51689e-4
       7458.46149e-4
      32471.09015e-5
       7140.79344e-5
       2776.73531e-5
 -0.000193641640  0.000051595415
 -0.001069506300  0.000284967310
 -0.004132554800  0.001101214400
 -0.013789651000  0.003674714500
 -0.029694165000  0.007917249500
  0.049129691000 -0.013179477000
  0.153629190000 -0.041096392000
 -0.547887440000  0.149750940000
  0.976526160000 -0.291148980000
  0.201656900000 -0.069681097000
 -0.956856310000  0.394737390000
 -0.457171530000  0.345288240000
 -0.009471909300 -0.683872250000
  0.001994402400 -0.526545420000
* p-type functions
   10    1
       3423.17493400
        697.30399830
        203.28384860
         28.79321034
         10.54105050
      79421.22592e-4
      36264.05098e-4
      86898.27493e-5
      39394.26926e-5
      16353.41831e-5
 -0.003327317100
 -0.020365604000
 -0.056658950000
  0.194033440000
  0.212591260000
 -0.363769390000
 -0.360129570000
  0.529490740000
  0.516797000000
  0.112518070000
* d-type functions
    9    1
        398.12392170
        114.38942560
         41.11477107
      76132.60748e-4
      37753.60314e-4
      82260.54047e-5
      34351.74135e-5
      14507.64055e-5
       5823.53021e-5
  0.004636096400
  0.026181621000
  0.055068030000
 -0.106589550000
 -0.112886490000
  0.246042980000
  0.410819580000
  0.374194980000
  0.206233480000
* f-type functions
    8    1
        176.77815480
         59.78137410
         24.37473280
         10.85808045
      49435.78861e-4
          2.21604389
      93758.94025e-5
      35112.95572e-5
  0.004674605800
  0.033482863000
  0.120308300000
  0.262301690000
  0.358138360000
  0.338607730000
  0.220607120000
  0.079379591000
********************************************************************************
* Core AIMP:Dy DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.2935736400e5  1.1156224500e5  3.3650932600e4  1.1344502200e4  4.1349238900e3  1.5392982000e3  5.8737517500e2  2.6630301000e2 91.865461200000 46.377303100000  8.466938010000
  4.567555600000  2.244446900000
  0.026759784450  0.024416936112  0.040247963790  0.062870904939  0.086847316400  0.107806327412  0.189190719293  0.241506442951  0.197139232967  0.565028266693  0.493618985332
  0.244895981282  0.019671138380
M2
  0
COREREP
 1.0
PROJOP
    2
   27    4
  3.9744684000e3  6.7139780000e2  1.5380383200e2 32.720968000000
56654892000.00000000
 6038475500.00000000
  982820250.00000000
  203057980.00000000
   50124922.00000000
   13819267.00000000
    4112773.60000000
    1306919.60000000
     443006.92000000
     157976.72000000
      59148.43900000
      23219.51100000
       9491.69710000
       4027.22730000
       1761.27940000
        789.65648000
        363.83471000
        155.04792000
         71.65594000
         28.68310400
         14.89807500
          5.85217510
          2.90202500
          0.82649701
          0.37160250
          0.06189666
        253.30523e-4
  0.000004016936 -0.000001475663  0.000000688865  0.000000332423
  0.000015215994 -0.000005582080  0.000002605014  0.000001257089
  0.000046853343 -0.000017169616  0.000008012443  0.000003866168
  0.000123815250 -0.000045356404  0.000021161426  0.000010211429
  0.000296091109 -0.000108417960  0.000050591775  0.000024410480
  0.000675804468 -0.000247649901  0.000115542380  0.000055757260
  0.001484996096 -0.000544555412  0.000254199050  0.000122652269
  0.003127482091 -0.001150799304  0.000537153039  0.000259272339
  0.006407837081 -0.002365778708  0.001105898599  0.000533661997
  0.013001181962 -0.004848978116  0.002266873297  0.001094940394
  0.026008144925 -0.009801438932  0.004600500194  0.002220912587
  0.051793110850 -0.020070111065  0.009427547588  0.004562308874
  0.102025819705 -0.040856016133  0.019397468975  0.009378891147
  0.189947619450 -0.082596124269  0.039440139949  0.019186902891
  0.304340759119 -0.149064330486  0.073498096906  0.035775836798
  0.328152959050 -0.207119930675  0.104909569866  0.051993817706
  0.158884589540 -0.050448908164  0.024721708968  0.011197980937
  0.015703093955  0.476635401553 -0.389190269501 -0.211595488803
 -0.001219399296  0.580103951890 -0.622358519203 -0.378716677858
  0.000477064129  0.110327080360  0.406024619480  0.385085007822
 -0.000324314219 -0.019351480063  0.851864818909  1.019787494233
  0.000147279490  0.006768387822  0.125346889839 -0.562134026821
 -0.000068493365 -0.003242654711 -0.017149889978 -0.889670554969
  0.000022544350  0.001013086903  0.004456626494 -0.060793913656
 -0.000010959991 -0.000476743992 -0.002074411497  0.013933837921
  0.000002762481  0.000121199030  0.000501204039 -0.002836781584
 -0.000001318322 -0.000057804971 -0.000238675490  0.001318714193
   23    3
  5.9628036000e2  1.3020048600e2 24.727448000000
   52337854.00000000
    7458473.20000000
    1537608.50000000
     390783.09000000
     115496.96000000
      38564.71400000
      14259.57200000
       5740.28670000
       2485.56280000
       1142.97120000
        552.53038000
        278.47210000
        145.31902000
         77.66067800
         41.81633400
         22.93953800
         12.58637000
          6.67935850
          3.48193080
          1.75135430
          0.82373649
          0.37129656
          0.15248411
  0.000005928055 -0.000002936509 -0.000001394768
  0.000019737562 -0.000009782363 -0.000004646903
  0.000058120302 -0.000028829988 -0.000013697501
  0.000161113189 -0.000080038021 -0.000038039945
  0.000438924198 -0.000218486379 -0.000103885389
  0.001199762795 -0.000599206618 -0.000285114478
  0.003336030687 -0.001673549094 -0.000797141454
  0.009373121163 -0.004738463684 -0.002260580584
  0.025901291898 -0.013255400956 -0.006342560956
  0.067425018736 -0.035296847884 -0.016970901883
  0.152859549401 -0.082949373727 -0.040228595722
  0.274275158925 -0.156571389485 -0.076847336468
  0.341194588663 -0.200484449341 -0.099227775313
  0.241114169055 -0.070923976767 -0.022709226843
  0.073057039714  0.276765639090  0.199401868620
  0.005121586580  0.513809168310  0.409193827168
  0.000650361747  0.296519839025  0.124801219136
 -0.000385066538  0.050580176834 -0.481479146668
  0.000097481584  0.001769854294 -0.568092586068
 -0.000073303997  0.000476846368 -0.166396788848
  0.000030570587 -0.000109861430 -0.007861168046
 -0.000011384656  0.000031287230 -0.000922772844
  0.000002938858 -0.000007018082  0.000217433278
   15    2
 99.294348000000 13.502210000000
      13388.30100000
       4574.57880000
       1661.48830000
        636.99834000
        272.46820000
        126.65336000
         62.14614700
         31.35747100
         16.07615500
          8.06228330
          3.92470230
          1.81424980
          0.67915504
          0.24411310
        787.17263e-4
  0.000066445191 -0.000031620210
  0.000313633386 -0.000151084391
  0.002104332076 -0.001007208704
  0.011687745864 -0.005665603722
  0.047863943445 -0.023324538091
  0.142759258344 -0.071294850277
  0.295525736572 -0.146755580570
  0.390291085473 -0.181581090705
  0.263058806949 -0.000723409833
  0.066024577234  0.366544931424
  0.003270212062  0.495152941923
  0.000571070523  0.241347760937
 -0.000059689448  0.026177500102
  0.000045451506 -0.001588737806
 -0.000007265031  0.000534784582
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
* Spin-Orbit-Core basis set:
*
* /Dy.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* T. Tsuchiya, M. Abe, T. Nakajima, K. Hirao. J. Chem. Phys. 115 (2001) 4463-4472. doi:10.1063/1.1390515
********************************************************************************
    3
* s-type functions
   27    6    4
67214502000.00000000
 6077568400.00000000
  944890800.00000000
  208295630.00000000
   51192202.00000000
   13811530.00000000
    4113756.00000000
    1317149.80000000
     443336.68000000
     157879.93000000
      59337.89900000
      23240.25100000
       9486.99610000
       4034.54000000
       1767.04680000
        792.34108000
        365.08060000
        155.18941000
         71.73039000
         28.70488400
         14.88283900
          5.83799750
          2.87495450
          0.79567065
          0.35452398
        575.93463e-4
        238.11901e-4
  0.000003700000 -0.000001400000  0.000000600000  0.000000300000 -0.000000100000  0.000000000000
  0.000016000000 -0.000005900000  0.000002700000  0.000001300000 -0.000000500000  0.000000100000
  0.000047000000 -0.000017200000  0.000008000000  0.000003900000 -0.000001500000  0.000000400000
  0.000118500000 -0.000043400000  0.000020200000  0.000009800000 -0.000003800000  0.000000900000
  0.000297600000 -0.000109000000  0.000050900000  0.000024500000 -0.000009400000  0.000002300000
  0.000682300000 -0.000250000000  0.000116700000  0.000056200000 -0.000021600000  0.000005400000
  0.001471700000 -0.000539700000  0.000251900000  0.000121300000 -0.000046700000  0.000011600000
  0.003112600000 -0.001145400000  0.000534600000  0.000257600000 -0.000099200000  0.000024700000
  0.006450500000 -0.002381600000  0.001113300000  0.000536200000 -0.000206500000  0.000051300000
  0.012953600000 -0.004831700000  0.002258900000  0.001089100000 -0.000419700000  0.000104300000
  0.025921400000 -0.009767800000  0.004584700000  0.002209200000 -0.000850800000  0.000211500000
  0.051954400000 -0.020134400000  0.009458700000  0.004569200000 -0.001762000000  0.000437500000
  0.101935400000 -0.040815400000  0.019377500000  0.009351700000 -0.003602100000  0.000896100000
  0.189145700000 -0.082255100000  0.039281500000  0.019076500000 -0.007366500000  0.001828500000
  0.303718200000 -0.148602000000  0.073251300000  0.035585400000 -0.013723700000  0.003416900000
  0.328435200000 -0.207238200000  0.104993500000  0.051947200000 -0.020153200000  0.004998000000
  0.159855800000 -0.051380100000  0.025167900000  0.011385200000 -0.004272700000  0.001087600000
  0.015980800000  0.476023000000 -0.388445800000 -0.210736300000  0.083238500000 -0.020818800000
 -0.001307700000  0.580597700000 -0.623116000000 -0.378502300000  0.154049100000 -0.038401700000
  0.000524900000  0.110677900000  0.406110700000  0.384764700000 -0.173087500000  0.043443300000
 -0.000353300000 -0.019374300000  0.852932500000  1.017847100000 -0.482611400000  0.124007500000
  0.000158900000  0.006714900000  0.123414200000 -0.568633100000  0.393343100000 -0.106726700000
 -0.000073000000 -0.003159500000 -0.016268900000 -0.884397000000  0.783817400000 -0.217847800000
  0.000023600000  0.000968100000  0.004165500000 -0.059442700000 -0.703929500000  0.239697200000
 -0.000011500000 -0.000459100000 -0.001950200000  0.014141000000 -0.634241400000  0.401525400000
  0.000003000000  0.000118700000  0.000479500000 -0.002963600000 -0.019777400000 -0.703271400000
 -0.000001400000 -0.000057600000 -0.000232300000  0.001405000000  0.006777100000 -0.467814200000
* p-type functions
   23    4    3
   52440248.00000000
    7469553.60000000
    1541307.30000000
     390397.57000000
     115424.59000000
      38636.40600000
      14258.54400000
       5741.16010000
       2486.07230000
       1142.91630000
        552.53606000
        278.40180000
        145.32206000
         77.66635900
         41.83035700
         22.95891500
         12.60513400
          6.69429330
          3.49347230
          1.76326030
          0.81966381
          0.36998079
          0.15250069
  0.000005900000 -0.000002900000 -0.000001400000 -0.000000500000
  0.000019700000 -0.000009800000 -0.000004600000 -0.000001600000
  0.000058100000 -0.000028800000 -0.000013700000 -0.000004700000
  0.000161600000 -0.000080300000 -0.000038100000 -0.000013000000
  0.000437800000 -0.000218000000 -0.000103400000 -0.000035300000
  0.001198100000 -0.000598400000 -0.000284000000 -0.000097100000
  0.003340900000 -0.001676100000 -0.000796400000 -0.000272500000
  0.009363500000 -0.004733800000 -0.002252600000 -0.000770200000
  0.025911800000 -0.013261800000 -0.006329800000 -0.002168600000
  0.067420800000 -0.035296200000 -0.016926900000 -0.005794700000
  0.152914800000 -0.082987500000 -0.040147400000 -0.013796700000
  0.274350700000 -0.156624700000 -0.076672500000 -0.026337400000
  0.341020900000 -0.200406100000 -0.098952300000 -0.034212400000
  0.241200300000 -0.070955400000 -0.022633600000 -0.006635500000
  0.072934700000  0.276545800000  0.198610100000  0.072905600000
  0.005225100000  0.513236500000  0.407587000000  0.155848200000
  0.000594800000  0.296959700000  0.125323100000  0.031207400000
 -0.000345400000  0.050878200000 -0.476206700000 -0.233935500000
  0.000076100000  0.001872600000 -0.565929900000 -0.328177300000
 -0.000062500000  0.000489000000 -0.172719000000  0.023756600000
  0.000024900000 -0.000091700000 -0.009472400000  0.513636700000
 -0.000009500000  0.000029700000 -0.000817400000  0.511167100000
  0.000002400000 -0.000005600000  0.000172300000  0.117362600000
* d-type functions
   15    2    2
      15533.20600000
       4007.72130000
       1419.13380000
        595.80893000
        277.57910000
        137.68029000
         71.30574300
         37.81334200
         20.47626000
         11.12570000
          5.98683110
          3.21650100
          1.71465620
          0.88136054
          0.37694426
  0.000062700000 -0.000029800000
  0.000467200000 -0.000223100000
  0.002646200000 -0.001264100000
  0.011857300000 -0.005717400000
  0.042093000000 -0.020427600000
  0.117267200000 -0.058105400000
  0.243014200000 -0.120689400000
  0.350692900000 -0.168310200000
  0.304261500000 -0.091911200000
  0.128746800000  0.175839000000
  0.020833500000  0.406214100000
  0.001398700000  0.374669200000
  0.000199400000  0.172785700000
  0.000070400000  0.036712600000
  0.000010800000  0.002643900000
* f-type functions
   10    1    0
        382.49412000
        131.23976000
         56.11926000
         26.28078200
         12.96401500
          6.46034550
          3.14710310
          1.46368310
          0.62963362
          0.23567072
  0.000744500000
  0.006402400000
  0.029891700000
  0.090125100000
  0.194217100000
  0.290896900000
  0.324521500000
  0.273874400000
  0.172995000000
  0.064568300000
End of Spectral Representation Operator

/Ho.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.21el.
T. Tsuchiya, T. Nakajima, K. Hirao, L. Seijo. Chem. Phys. Lett. 361 (2002) 334-340. doi:10.1016/s0009-2614(02)00953-3
HOLMIUM (14s,10p,9d,8f) -> [2s,1p,1d,1f]
********************************************************************************
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Ho(6L)
********************************************************************************
    21.0   3
* s-type functions
   14    2
    2062378.40000000
     149242.51360000
      20728.82630000
       4183.85296500
       1074.67529000
        141.22042210
         84.81289439
         19.15928422
          4.00044106
      20625.15232e-4
      76231.98947e-5
      34331.95977e-5
        713.70454e-4
       2795.22953e-5
 -0.000200047080  0.000052935294
 -0.001030033300  0.000272562670
 -0.003937696900  0.001042054000
 -0.013093501000  0.003465245300
 -0.029792459000  0.007888088100
  0.086662775000 -0.023082596000
  0.117001160000 -0.031051450000
 -0.550813220000  0.149444490000
  0.900943510000 -0.265536850000
  0.211199590000 -0.068208516000
 -0.873380730000  0.358741820000
 -0.473391070000  0.344916330000
 -0.012008302000 -0.696234650000
  0.002987630100 -0.506012500000
* p-type functions
   10    1
       3554.60058300
        722.96709050
        211.03199280
         30.02575967
         10.90972561
      88987.62374e-4
      38809.27102e-4
      89369.95883e-5
      40582.82749e-5
       1658.00222e-4
 -0.003359155100
 -0.020332259000
 -0.056541204000
  0.191652630000
  0.303616330000
 -0.431154580000
 -0.375534420000
  0.527628860000
  0.515853220000
  0.112134450000
* d-type functions
    9    1
        414.81299220
        119.92544990
         42.99918264
      78865.69136e-4
      39010.69911e-4
      85491.67665e-5
      34885.17083e-5
          0.13865193
       5242.43701e-5
  0.004501959900
  0.025527717000
  0.054406973000
 -0.106767090000
 -0.108862460000
  0.243247080000
  0.424719940000
  0.396322890000
  0.180967330000
* f-type functions
    8    1
        181.51702580
         61.61417701
         25.15998997
         11.22048034
      51064.10811e-4
      22826.69657e-4
      96293.06792e-5
      35963.36759e-5
  0.004868445600
  0.034564722000
  0.123593610000
  0.266201900000
  0.359461090000
  0.336125160000
  0.216689540000
  0.077515175000
********************************************************************************
* Core AIMP:Ho DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.3720946500e5  1.1452769300e5  3.4895095000e4  1.1852713000e4  4.3464880500e3  1.6317210900e3  6.2385785400e2  2.8159874100e2 97.406073300000 48.476945800000  8.853930140000
  4.793568200000  2.361579910000
  0.025767453333  0.023244439144  0.038103372205  0.059390340770  0.081797209094  0.101310213525  0.176786653547  0.233380492197  0.184850864689  0.543394250436  0.467673654187
  0.235155532540  0.019621714808
M2
  0
COREREP
 1.0
PROJOP
    2
   27    4
  4.1098002000e3  6.9711586000e2  1.6012067400e2 33.985620000000
57609751000.00000000
 5664717800.00000000
  996008150.00000000
  205754670.00000000
   49305753.00000000
   13520791.00000000
    4036447.30000000
    1288986.50000000
     436939.67000000
     156566.45000000
      58881.26900000
      23185.95000000
       9509.34760000
       4022.12680000
       1744.19300000
        778.22928000
        358.05749000
        156.67704000
         72.96139300
         29.47162300
         15.31855700
          6.10266530
          3.01387610
          0.86379697
          0.38799244
          0.06716561
        275.47037e-4
  0.000004417071 -0.000001630037  0.000000762805  0.000000368798
  0.000016760943 -0.000006176316  0.000002889404  0.000001396950
  0.000048155372 -0.000017725001  0.000008291907  0.000004008520
  0.000133505130 -0.000049119624  0.000022973281  0.000011106532
  0.000322686691 -0.000118676060  0.000055513722  0.000026835588
  0.000727372022 -0.000267699579  0.000125201389  0.000060531796
  0.001584433604 -0.000583619399  0.000273103898  0.000132021301
  0.003329753708 -0.001230592097  0.000575806326  0.000278452772
  0.006802827716 -0.002523701095  0.001182686391  0.000571793514
  0.013658595031 -0.005117744289  0.002398494381  0.001160727608
  0.027221910062 -0.010316731978  0.004855243262  0.002348356215
  0.053805154123 -0.020959494956  0.009871250224  0.004786458031
  0.105373820240 -0.042516841910  0.020246187844  0.009808555764
  0.197069950449 -0.086332609818  0.041357924681  0.020162493132
  0.312338410712 -0.155353959672  0.076943035406  0.037539359246
  0.323615360738 -0.206376669565  0.104960289189  0.052181603342
  0.144751360330 -0.030437233936  0.013012987899  0.005107363733
  0.012127509028  0.489584388968 -0.405554546867 -0.221481611452
 -0.000337274121  0.564095298811 -0.608222625302 -0.372744632443
 -0.000015440980  0.104108509781  0.434583396643  0.415389192722
 -0.000007059932 -0.018020598962  0.833519843562  1.004250206582
 -0.000003353633  0.006284970287  0.120271819071 -0.578179013789
  0.000006764741 -0.002969670594 -0.015362846881 -0.881858275779
 -0.000002397708  0.000932461088  0.004056000169 -0.060620478397
  0.000001003718 -0.000440551769 -0.001897759285  0.013904798091
 -0.000000285449  0.000114850970  0.000469094446 -0.002912250119
  0.000000134593 -0.000054172154 -0.000220919078  0.001337636609
   23    3
  6.1825732000e2  1.3546221200e2 25.648788000000
   52460490.00000000
    7467430.90000000
    1541137.00000000
     390553.57000000
     115410.52000000
      38635.80400000
      14258.61100000
       5741.09740000
       2486.07590000
       1142.91200000
        552.54722000
        278.39224000
        145.31273000
         77.61363200
         41.80920300
         22.97113400
         12.59118000
          6.68909750
          3.48736290
          1.74543130
          0.82274142
          0.37075306
          0.15190982
  0.000006352229 -0.000003156953 -0.000001502725
  0.000021127471 -0.000010505785 -0.000005001438
  0.000062141456 -0.000030927232 -0.000014725817
  0.000172791631 -0.000086130100 -0.000041026267
  0.000467552892 -0.000233539630 -0.000111283740
  0.001276388807 -0.000639743900 -0.000305106601
  0.003551658418 -0.001788318099 -0.000853663413
  0.009922357051 -0.005035998698 -0.002408478907
  0.027352173142 -0.014058578994 -0.006742258020
  0.070750041367 -0.037223676983 -0.017947895053
  0.159006110825 -0.086774138961 -0.042192897125
  0.281141421458 -0.161513399927 -0.079553506236
  0.340924901768 -0.200111479910 -0.099052236294
  0.231646231202 -0.055523546975 -0.013458809040
  0.065495911340  0.301208619865  0.218359620648
  0.004304439622  0.513056799770  0.411463951220
  0.000433672632  0.275475819876  0.086579135257
 -0.000274365151  0.042741114981 -0.508410131508
  0.000041118646  0.001775616499 -0.548047131626
 -0.000041495888  0.000280664860 -0.147915540439
  0.000016954774 -0.000036964979 -0.005860362617
 -0.000006088398  0.000004593608 -0.000980499403
  0.000001570569 -0.000000095163  0.000234281961
   15    2
  1.0355834000e2 14.039345000000
      15088.79000000
       3849.23270000
       1393.58680000
        591.85144000
        281.90063000
        140.60018000
         71.17775600
         36.06865600
         18.39129400
          9.11639050
          4.39695690
          2.00796660
          0.74193630
          0.25359578
        779.82673e-4
  0.000073375834 -0.000035073632
  0.000531680118 -0.000257213590
  0.002926324889 -0.001405172601
  0.012571736953 -0.006141518703
  0.042636032841 -0.020804283011
  0.121557179548 -0.061012606033
  0.266581759009 -0.132975760071
  0.388611898555 -0.186634160100
  0.297149458895 -0.042069635023
  0.085242771683  0.334156110180
  0.004484326983  0.512191470275
  0.000859246477  0.271549610146
 -0.000120949570  0.031417512017
  0.000071151581 -0.001810331901
 -0.000015107140  0.000631526090
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
* Spin-Orbit-Core basis set:
*
* /Ho.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* T. Tsuchiya, M. Abe, T. Nakajima, K. Hirao. J. Chem. Phys. 115 (2001) 4463-4472. doi:10.1063/1.1390515
********************************************************************************
    3
* s-type functions
   27    6    4
57876523000.00000000
 6285011100.00000000
 1045296700.00000000
  209451370.00000000
   51656671.00000000
   14119209.00000000
    4152460.10000000
    1324709.40000000
     448022.74000000
     159208.76000000
      59306.91700000
      23231.07700000
       9504.67560000
       4033.38790000
       1768.48470000
        797.58700000
        369.73108000
        159.06501000
         73.77257900
         29.69960500
         15.39441300
          6.05318800
          2.97510880
          0.81915905
          0.36381960
        598.58954e-4
        246.86956e-4
  0.000004200000 -0.000001600000  0.000000700000  0.000000400000 -0.000000100000  0.000000000000
  0.000015600000 -0.000005700000  0.000002700000  0.000001300000 -0.000000500000  0.000000100000
  0.000048400000 -0.000017800000  0.000008300000  0.000004000000 -0.000001500000  0.000000400000
  0.000130700000 -0.000048100000  0.000022500000  0.000010900000 -0.000004200000  0.000001000000
  0.000307900000 -0.000113200000  0.000053000000  0.000025600000 -0.000009800000  0.000002400000
  0.000716100000 -0.000263600000  0.000123300000  0.000059500000 -0.000022900000  0.000005600000
  0.001562900000 -0.000575600000  0.000269400000  0.000130000000 -0.000050000000  0.000012300000
  0.003263800000 -0.001206200000  0.000564400000  0.000272500000 -0.000104700000  0.000025800000
  0.006717900000 -0.002491600000  0.001167600000  0.000563600000 -0.000216600000  0.000053400000
  0.013627400000 -0.005106000000  0.002393200000  0.001156300000 -0.000444500000  0.000109500000
  0.027289500000 -0.010338900000  0.004865300000  0.002349300000 -0.000902700000  0.000222500000
  0.053926000000 -0.021013600000  0.009898200000  0.004792100000 -0.001843200000  0.000453700000
  0.105515200000 -0.042550800000  0.020260900000  0.009798400000 -0.003765700000  0.000928600000
  0.194797400000 -0.085398500000  0.040912600000  0.019917700000 -0.007671000000  0.001887500000
  0.306000400000 -0.151463100000  0.074974700000  0.036499400000 -0.014047400000  0.003467400000
  0.322261600000 -0.204886700000  0.104113000000  0.051685800000 -0.019994200000  0.004914400000
  0.152531400000 -0.040941900000  0.019078100000  0.008180100000 -0.003037300000  0.000775600000
  0.014702600000  0.481790800000 -0.396741300000 -0.215937000000  0.085194500000 -0.021126300000
 -0.001038400000  0.573116300000 -0.617151000000 -0.377055000000  0.153028400000 -0.037807300000
  0.000378400000  0.107368800000  0.420713200000  0.402467200000 -0.180257400000  0.044846500000
 -0.000258100000 -0.018313400000  0.844899900000  1.009876700000 -0.478956600000  0.122004700000
  0.000114100000  0.006274700000  0.120464400000 -0.587121300000  0.407829400000 -0.109587900000
 -0.000050700000 -0.002929400000 -0.015719600000 -0.872250300000  0.768229600000 -0.211465800000
  0.000016300000  0.000892600000  0.004024500000 -0.057375700000 -0.715883700000  0.241401900000
 -0.000008000000 -0.000424600000 -0.001892300000  0.013763800000 -0.620486700000  0.394076900000
  0.000002100000  0.000111100000  0.000471400000 -0.002926700000 -0.019508000000 -0.684071500000
 -0.000001000000 -0.000053600000 -0.000227300000  0.001380400000  0.006637200000 -0.486354400000
* p-type functions
   23    4    3
   51644258.00000000
    7576760.90000000
    1540884.60000000
     388722.84000000
     115737.23000000
      38629.09800000
      14264.85400000
       5741.04630000
       2486.42970000
       1142.91280000
        552.52518000
        278.35243000
        145.29153000
         77.67004500
         41.83299000
         22.97430800
         12.58357400
          6.70001240
          3.49966190
          1.76417190
          0.81892405
          0.36975839
          0.15265564
  0.000006400000 -0.000003200000 -0.000001500000 -0.000000500000
  0.000020800000 -0.000010400000 -0.000004900000 -0.000001700000
  0.000062900000 -0.000031300000 -0.000014900000 -0.000005100000
  0.000172500000 -0.000086000000 -0.000040900000 -0.000013900000
  0.000466000000 -0.000232800000 -0.000110700000 -0.000037700000
  0.001278700000 -0.000640900000 -0.000305000000 -0.000103800000
  0.003548100000 -0.001786600000 -0.000850900000 -0.000289800000
  0.009927200000 -0.005038600000 -0.002404300000 -0.000818300000
  0.027342200000 -0.014054700000 -0.006725100000 -0.002292900000
  0.070774800000 -0.037237900000 -0.017913900000 -0.006105500000
  0.159009500000 -0.086786200000 -0.042102600000 -0.014398700000
  0.281281400000 -0.161596100000 -0.079412600000 -0.027164800000
  0.340703200000 -0.200034600000 -0.098789800000 -0.033965000000
  0.231460800000 -0.055525600000 -0.013464200000 -0.003374300000
  0.065806900000  0.300923100000  0.217688100000  0.079799000000
  0.004175500000  0.513735600000  0.410641200000  0.156106100000
  0.000524600000  0.275172500000  0.086436800000  0.014365200000
 -0.000325900000  0.042505100000 -0.503594300000 -0.246782100000
  0.000070900000  0.001984400000 -0.545396400000 -0.317131000000
 -0.000056100000  0.000244500000 -0.154121100000  0.052316600000
  0.000022600000 -0.000000900000 -0.007689000000  0.524344400000
 -0.000008600000 -0.000004600000 -0.000773800000  0.493103700000
  0.000002200000  0.000003300000  0.000166400000  0.108344700000
* d-type functions
   15    2    2
      16015.42300000
       4009.43250000
       1416.75100000
        596.01133000
        277.54372000
        137.69700000
         71.30913800
         37.80807700
         20.47839900
         11.11284800
          5.98225580
          3.21568460
          1.71318790
          0.88302399
          0.37752870
  0.000066400000 -0.000031700000
  0.000510500000 -0.000245000000
  0.002856300000 -0.001370700000
  0.012721300000 -0.006164900000
  0.044892500000 -0.021898100000
  0.123611700000 -0.061609700000
  0.252138400000 -0.125677200000
  0.354886300000 -0.170171400000
  0.294846300000 -0.078725200000
  0.117707700000  0.198055500000
  0.017440000000  0.413409700000
  0.001342700000  0.362288000000
  0.000134900000  0.158731700000
  0.000095100000  0.032014200000
  0.000006200000  0.002376400000
* f-type functions
   10    1    0
        381.82905000
        131.00528000
         56.06871900
         26.27559400
         12.97521100
          6.46149370
          3.14903640
          1.46790620
          0.63169612
          0.23710188
  0.000835300000
  0.007122600000
  0.032671000000
  0.096971600000
  0.203399500000
  0.295987200000
  0.320514000000
  0.265293000000
  0.165988100000
  0.061709000000
End of Spectral Representation Operator

/Er.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.22el.
T. Tsuchiya, T. Nakajima, K. Hirao, L. Seijo. Chem. Phys. Lett. 361 (2002) 334-340. doi:10.1016/s0009-2614(02)00953-3
ERBIUM (14s,10p,9d,8f) -> [2s,1p,1d,1f]
********************************************************************************
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Er(5L)
********************************************************************************
    22.0   3
* s-type functions
   14    2
    2143408.15600000
     165146.41530000
      23157.71312000
       4658.24479300
       1167.07140200
        137.70538450
         81.94562441
         20.09240225
      41297.61523e-4
      20573.72371e-4
      80071.53671e-5
       3592.85371e-4
       7400.52066e-5
       2899.30199e-5
 -0.000202656010  0.000053223613
 -0.000996900410  0.000261816980
 -0.003761152100  0.000987870130
 -0.012492118000  0.003281274700
 -0.030086940000  0.007905956800
  0.108932300000 -0.028789158000
  0.096469794000 -0.025394638000
 -0.549559000000  0.147919870000
  0.913372160000 -0.267227530000
  0.198102720000 -0.063387870000
 -0.861723710000  0.346521320000
 -0.488802880000  0.351866960000
 -0.012713546000 -0.677539300000
  0.003166348700 -0.522418960000
* p-type functions
   10    1
       3615.13343700
        740.24355460
        217.38005560
         31.30387974
         11.79742219
      88456.71924e-4
      39971.81349e-4
      93353.18083e-5
      42290.40037e-5
      17314.59714e-5
  0.003459295700
  0.020555702000
  0.056303556000
 -0.190478910000
 -0.208205760000
  0.343090950000
  0.365701300000
 -0.519403210000
 -0.520537670000
 -0.116661360000
* d-type functions
    9    1
        435.52526090
        124.99743730
         44.83035023
      82634.70276e-4
      40870.45252e-4
      89458.37192e-5
      36781.65909e-5
      14412.62279e-5
       5244.07224e-5
  0.004411702100
  0.025265238000
  0.054039453000
 -0.104477810000
 -0.108596380000
  0.235276270000
  0.418308950000
  0.410811320000
  0.184960570000
* f-type functions
    8    1
        189.65286320
         64.46097127
         26.36269470
         11.76137936
      53456.53164e-4
      23810.20904e-4
       9990.37629e-4
      37076.46369e-5
  0.004873249300
  0.034637152000
  0.124112430000
  0.267181510000
  0.359897930000
  0.335741490000
  0.216693980000
  0.078506706000
********************************************************************************
* Core AIMP:Er DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.4018696000e5  1.1579750300e5  3.5487729000e4  1.2112186100e4  4.4594222600e3  1.6792785200e3  6.4312150100e2  2.9007171500e2  1.0009280600e2 50.364211900000  9.203079700000
  2.426161600000  4.955717840000
  0.025018506317  0.022429001175  0.036633794346  0.056857574242  0.078005979655  0.096704941491  0.170034746960  0.222216082482  0.177325844281  0.516188443615  0.450426218637
  0.017579647849  0.221488309859
M2
  0
COREREP
 1.0
PROJOP
    2
   27    4
  4.2479302000e3  7.2346750000e2  1.6660763200e2 35.292248000000
64749207000.00000000
 6526593700.00000000
 1047449100.00000000
  215698380.00000000
   52290199.00000000
   14238112.00000000
    4202522.30000000
    1339629.90000000
     450582.66000000
     159209.42000000
      59444.76500000
      23266.04500000
       9488.21530000
       4030.61430000
       1766.81750000
        797.64928000
        370.95822000
        162.44748000
         75.83436300
         30.82231900
         16.00583300
          6.34567070
          3.13393790
          0.88101462
          0.39868889
        681.24488e-4
        271.10565e-4
  0.000004279594 -0.000001586805  0.000000744367  0.000000360557
  0.000016805206 -0.000006221012  0.000002917300  0.000001413071
  0.000051182372 -0.000018924179  0.000008873888  0.000004297867
  0.000136141801 -0.000050311741  0.000023586704  0.000011424371
  0.000328863733 -0.000121479970  0.000056959117  0.000027585491
  0.000752520606 -0.000278160940  0.000130402989  0.000063164056
  0.001637971013 -0.000605966849  0.000284223818  0.000137652090
  0.003426209827 -0.001271734598  0.000596481686  0.000288989310
  0.007093663156 -0.002643274696  0.001241587692  0.000601389791
  0.014316934114 -0.005389131991  0.002532021483  0.001227652002
  0.028400432226 -0.010817673982  0.005102996065  0.002472820504
  0.056338675448 -0.022071311963  0.010423948929  0.005064392007
  0.109445310870 -0.044466704926  0.021231371855  0.010305321015
  0.199856751588 -0.088315212853  0.042446770711  0.020741072030
  0.309915292463 -0.155308989742  0.077172803474  0.037716010054
  0.316860082518 -0.202909319663  0.103470839295  0.051589283074
  0.143244061138 -0.027432279954  0.010959254925  0.003964109406
  0.012824741102  0.487479609191 -0.405229597241 -0.221791600320
 -0.000607245235  0.563278029065 -0.608895875854 -0.374402010539
  0.000145961321  0.105106879826  0.427407037090  0.411853590593
 -0.000111041781 -0.017609291971  0.840254954278  1.009154601454
  0.000046173650  0.006101979190  0.121760959171 -0.580018060836
 -0.000017716544 -0.002872328195 -0.015870493892 -0.880005591268
  0.000005747369  0.000896088589  0.004163910572 -0.060087112087
 -0.000002952789 -0.000428822269 -0.001972813587  0.014449288021
  0.000000720053  0.000107818830  0.000471606047 -0.002927938704
 -0.000000334195 -0.000049982919 -0.000218296759  0.001322942002
   23    3
  6.4068298000e2  1.4084722000e2 26.598284000000
   53883671.00000000
    7670989.10000000
    1580715.10000000
     400963.02000000
     118048.95000000
      39199.26400000
      14414.90200000
       5784.21350000
       2495.82230000
       1143.78670000
        551.84867000
        277.82310000
        145.05663000
         77.66807100
         41.90216500
         23.20413900
         12.86394300
          6.98158880
          3.72150470
          1.92122230
          0.90913886
          0.41702995
          0.17423170
  0.000006675550 -0.000003328191 -0.000001587648
  0.000022187719 -0.000011068148 -0.000005280581
  0.000065143403 -0.000032525836 -0.000015520332
  0.000180402549 -0.000090213532 -0.000043065914
  0.000491516748 -0.000246330181 -0.000117630070
  0.001345756695 -0.000676770662 -0.000323507279
  0.003735648787 -0.001887775705 -0.000903060628
  0.010452186964 -0.005324452014 -0.002552751294
  0.028817157900 -0.014875113039 -0.007149659182
  0.074382251742 -0.039320758104 -0.019013404952
  0.165668959425 -0.090938877240 -0.044329797889
  0.288302649000 -0.166615050439 -0.082366976794
  0.339343688823 -0.198819770524 -0.098340927754
  0.220940259234 -0.038768788102 -0.003475915291
  0.059431082794  0.320953130846  0.234723939413
  0.003255194289  0.503416621328  0.404942828987
  0.000595831818  0.259567170685  0.067917861830
 -0.000375459199  0.041289346109 -0.491061378772
  0.000099340370  0.002112242606 -0.539368698651
 -0.000069654046  0.000277308001 -0.165570679586
  0.000027831564 -0.000017152395 -0.009993152675
 -0.000010240136 -0.000001057856 -0.000613169358
  0.000002606034  0.000001158754  0.000125828810
   15    2
  1.0791810400e2 14.594867000000
      20055.40500000
       4708.67700000
       1602.45380000
        650.90676000
        289.49913000
        136.47685000
         67.08825000
         33.72039600
         17.19223000
          8.60072200
          4.17402640
          1.92337890
          0.71847499
          0.25390699
        801.34175e-4
  0.000052063796 -0.000025023093
  0.000429613957 -0.000208135079
  0.002519391084 -0.001216589394
  0.012155657925 -0.005944179772
  0.047556588705 -0.023369366890
  0.141763569120 -0.071386235665
  0.297131598156 -0.148871899302
  0.394533907552 -0.184228889136
  0.260446378384  0.007489524165
  0.062505765612  0.378501328225
  0.003198806380  0.491493227696
  0.000534890837  0.230451158919
 -0.000022136981  0.023968203888
  0.000033318452 -0.001259331494
 -0.000003902328  0.000476473908
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
* Spin-Orbit-Core basis set:
*
* /Er.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* T. Tsuchiya, M. Abe, T. Nakajima, K. Hirao. J. Chem. Phys. 115 (2001) 4463-4472. doi:10.1063/1.1390515
********************************************************************************
    3
* s-type functions
   27    6    4
68154237000.00000000
 6494725000.00000000
 1053434400.00000000
  219738650.00000000
   52529925.00000000
   14149958.00000000
    4252331.20000000
    1345509.50000000
     449307.91000000
     159715.36000000
      59453.99700000
      23261.38600000
       9501.94230000
       4026.10890000
       1769.09240000
        799.38698000
        370.18641000
        162.56866000
         75.86811200
         30.97710400
         16.02521600
          6.37637790
          3.11680670
          0.85401130
          0.37820352
          0.06099377
        249.68154e-4
  0.000004200000 -0.000001600000  0.000000700000  0.000000400000  0.000000100000  0.000000000000
  0.000017000000 -0.000006300000  0.000002900000  0.000001400000  0.000000500000 -0.000000100000
  0.000050400000 -0.000018600000  0.000008700000  0.000004200000  0.000001600000 -0.000000400000
  0.000134400000 -0.000049700000  0.000023300000  0.000011300000  0.000004300000 -0.000001100000
  0.000333500000 -0.000123200000  0.000057800000  0.000027900000  0.000010700000 -0.000002600000
  0.000749100000 -0.000276900000  0.000129800000  0.000062800000  0.000024100000 -0.000005900000
  0.001612200000 -0.000596500000  0.000279800000  0.000135300000  0.000051900000 -0.000012700000
  0.003463300000 -0.001285500000  0.000603000000  0.000291700000  0.000111800000 -0.000027300000
  0.007084700000 -0.002640100000  0.001240100000  0.000599800000  0.000229900000 -0.000056200000
  0.014249500000 -0.005363400000  0.002520100000  0.001220000000  0.000467900000 -0.000114200000
  0.028533000000 -0.010869700000  0.005127400000  0.002480900000  0.000951100000 -0.000232400000
  0.056143500000 -0.021992400000  0.010388000000  0.005039000000  0.001933800000 -0.000471900000
  0.109548600000 -0.044516300000  0.021252400000  0.010300500000  0.003950000000 -0.000965700000
  0.200144200000 -0.088428600000  0.042512800000  0.020739200000  0.007970000000 -0.001944000000
  0.308445400000 -0.154607300000  0.076801400000  0.037482600000  0.014394600000 -0.003522800000
  0.317987100000 -0.203202900000  0.103678500000  0.051590800000  0.019917000000 -0.004851700000
  0.143653400000 -0.028119800000  0.011173400000  0.004105000000  0.001439100000 -0.000381300000
  0.012329800000  0.487514700000 -0.404593900000 -0.221165800000 -0.087100900000  0.021418500000
 -0.000362000000  0.563261200000 -0.610503100000 -0.374590500000 -0.151805000000  0.037168400000
 -0.000001200000  0.104862700000  0.424612900000  0.406745000000  0.181834200000 -0.044825000000
 -0.000015300000 -0.016834200000  0.843836000000  1.013699900000  0.479820900000 -0.121162600000
  0.000000300000  0.005744900000  0.120750700000 -0.579304000000 -0.400487500000  0.106584900000
  0.000004800000 -0.002630400000 -0.014529100000 -0.882637400000 -0.772886700000  0.210550200000
 -0.000001600000  0.000792500000  0.003720400000 -0.058525400000  0.707468100000 -0.235044300000
  0.000000700000 -0.000374600000 -0.001740000000  0.014058100000  0.626136400000 -0.392263300000
 -0.000000200000  0.000096700000  0.000426700000 -0.002953600000  0.019959800000  0.686990200000
  0.000000100000 -0.000046700000 -0.000205900000  0.001396100000 -0.006877600000  0.480871000000
* p-type functions
   23    4    3
   53962859.00000000
    7689113.00000000
    1583279.60000000
     401396.94000000
     118187.08000000
      39214.58900000
      14420.88000000
       5787.04440000
       2495.81160000
       1143.87800000
        551.76959000
        277.74049000
        145.04343000
         77.62746100
         41.89157900
         23.20015700
         12.83752400
          6.99889550
          3.73919820
          1.92778590
          0.91250304
          0.41494170
          0.17231357
  0.000006700000 -0.000003300000 -0.000001600000 -0.000000500000
  0.000022100000 -0.000011000000 -0.000005300000 -0.000001800000
  0.000065100000 -0.000032500000 -0.000015500000 -0.000005200000
  0.000180200000 -0.000090100000 -0.000042900000 -0.000014500000
  0.000491200000 -0.000246200000 -0.000117300000 -0.000039700000
  0.001346100000 -0.000676900000 -0.000322900000 -0.000109400000
  0.003732200000 -0.001886200000 -0.000900400000 -0.000305200000
  0.010451900000 -0.005324400000 -0.002547200000 -0.000863300000
  0.028824600000 -0.014880500000 -0.007137000000 -0.002421600000
  0.074372200000 -0.039315800000 -0.018969600000 -0.006439400000
  0.165792600000 -0.091019600000 -0.044275100000 -0.015067500000
  0.288302300000 -0.166617000000 -0.082186800000 -0.028013200000
  0.339355200000 -0.198860800000 -0.098155500000 -0.033532300000
  0.221016500000 -0.038544500000 -0.003307800000  0.000146700000
  0.059142000000  0.320959500000  0.234179500000  0.085842200000
  0.003386300000  0.504062700000  0.404157900000  0.152543100000
  0.000509100000  0.259313100000  0.067583300000  0.007033600000
 -0.000320300000  0.040369400000 -0.484850000000 -0.236739700000
  0.000068200000  0.002665500000 -0.538818100000 -0.308957200000
 -0.000054400000  0.000094200000 -0.171770200000  0.015617000000
  0.000020600000  0.000078400000 -0.010787700000  0.484326200000
 -0.000007500000 -0.000032700000 -0.000842700000  0.524927400000
  0.000001900000  0.000010400000  0.000153000000  0.139691800000
* d-type functions
   15    2    2
      16417.39100000
       4243.15850000
       1504.24340000
        624.51900000
        285.25007000
        138.83011000
         70.91460500
         37.41041800
         20.25288000
         10.98436500
          5.85030620
          3.07683160
          1.56947020
          0.72945606
          0.21192635
  0.000067400000 -0.000032300000
  0.000491300000 -0.000236700000
  0.002767800000 -0.001334000000
  0.012780700000 -0.006217600000
  0.046892500000 -0.022986300000
  0.132044400000 -0.066120300000
  0.266036200000 -0.133139700000
  0.360037700000 -0.171594000000
  0.281800300000 -0.061184000000
  0.104680900000  0.226849900000
  0.014119900000  0.431968500000
  0.000960500000  0.351886000000
  0.000182100000  0.133256800000
  0.000057900000  0.018240300000
  0.000005000000  0.000534700000
* f-type functions
   10    1    0
        381.16322000
        130.81426000
         56.03233700
         26.27419500
         12.97999000
          6.46046700
          3.15035170
          1.46891420
          0.63280707
          0.23624462
 -0.000933800000
 -0.007889200000
 -0.035574000000
 -0.103975400000
 -0.212368500000
 -0.299927400000
 -0.316635500000
 -0.257071400000
 -0.159533100000
 -0.059190400000
End of Spectral Representation Operator

/Tm.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.23el.
T. Tsuchiya, T. Nakajima, K. Hirao, L. Seijo. Chem. Phys. Lett. 361 (2002) 334-340. doi:10.1016/s0009-2614(02)00953-3
THULIUM (14s,10p,9d,8f) -> [2s,1p,1d,1f]
********************************************************************************
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Tm(4K)
********************************************************************************
    23.0   3
* s-type functions
   14    2
    2155548.94300000
     178344.15100000
      26060.81575000
       5100.67570000
       1237.24813600
        139.51535610
         81.37288953
         21.03851055
      42702.27163e-4
      20032.79488e-4
      84201.05387e-5
      37194.30745e-5
       7595.88568e-5
       2975.36942e-5
 -0.000210386810  0.000054882579
 -0.000964827990  0.000251690650
 -0.003578256300  0.000933510360
 -0.012315494000  0.003213129600
 -0.030319866000  0.007913419900
  0.119406030000 -0.031342425000
  0.087611196000 -0.022894131000
 -0.548254290000  0.146498100000
  0.923145940000 -0.267993680000
  0.196720870000 -0.063492342000
 -0.865690740000  0.343304800000
 -0.498244450000  0.354032020000
 -0.011890822000 -0.671946440000
  0.002820515300 -0.525979900000
* p-type functions
   10    1
       3616.97317800
        745.34345120
        221.40306990
         32.64982185
         11.55879034
      97120.83301e-4
      41631.37657e-4
       9692.18222e-4
      43755.41401e-5
      17840.33339e-5
  0.003633021400
  0.021148191000
  0.055775189000
 -0.189782880000
 -0.373221600000
  0.504082630000
  0.366374660000
 -0.514727980000
 -0.523388970000
 -0.118438930000
* d-type functions
    9    1
        451.76483540
        129.55195450
         46.57777207
      85958.84097e-4
      42318.55475e-4
      92963.97068e-5
      37929.44235e-5
      14780.05014e-5
       5383.62411e-5
  0.004364123100
  0.024927721000
  0.053195805000
 -0.103591660000
 -0.106024470000
  0.231255250000
  0.416181660000
  0.411916450000
  0.193672500000
* f-type functions
    8    1
        212.16155560
         72.17231909
         29.64618079
         13.25710092
      60344.03531e-4
      26797.91375e-4
          1.11555543
      40804.79093e-5
  0.004172982600
  0.030523508000
  0.112684850000
  0.253720210000
  0.356485060000
  0.345314680000
  0.231352650000
  0.088686625000
********************************************************************************
* Core AIMP:Tm DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.4674571800e5  1.1795668800e5  3.6209957800e4  1.2367933500e4  4.5513832800e3  1.7087753600e3  6.5778814400e2  2.9917245000e2  1.0408225500e2 52.427959600000  9.592145440000
  2.532801000000  5.170188930000
  0.024239114572  0.021639020513  0.035371826870  0.054754531674  0.075042385220  0.093237106495  0.163289825142  0.210039977756  0.168008545753  0.494709516056  0.430355615492
  0.017092748789  0.212219785667
M2
  0
COREREP
 1.0
PROJOP
    2
   27    4
  4.3888804000e3  7.5044428000e2  1.7324478200e2 36.624454000000
64610083000.00000000
 6532466800.00000000
 1053157600.00000000
  217897560.00000000
   52532973.00000000
   14289431.00000000
    4259900.40000000
    1347216.40000000
     450554.43000000
     159849.61000000
      59531.90800000
      23251.76200000
       9501.93570000
       4033.10340000
       1769.67040000
        797.46087000
        368.25482000
        164.92743000
         77.45243700
         31.46030500
         16.37072200
          6.54560810
          3.22052270
          0.91700593
          0.40668658
        668.49794e-4
        268.15358e-4
  0.000004599088 -0.000001713240  0.000000805540  0.000000390860
  0.000017964064 -0.000006680335  0.000003139895  0.000001523507
  0.000054274977 -0.000020158512  0.000009474405  0.000004596583
  0.000144059080 -0.000053474434  0.000025126560  0.000012191101
  0.000350639820 -0.000130102660  0.000061141747  0.000029661878
  0.000789946041 -0.000293275810  0.000137800512  0.000066861770
  0.001713387902 -0.000636715429  0.000299333224  0.000145218199
  0.003639072203 -0.001356666898  0.000637762339  0.000309519148
  0.007449675107 -0.002789229096  0.001313245618  0.000637195305
  0.014941964014 -0.005650101691  0.002660685637  0.001292277490
  0.029802713029 -0.011415358982  0.005398605676  0.002620638579
  0.058546795056 -0.023058955964  0.010916195154  0.005313195258
  0.113040650108 -0.046277441929  0.022162801312  0.010776548914
  0.204953640197 -0.091244230859  0.043972748619  0.021530902828
  0.312742050300 -0.158693819755  0.079201429115  0.038780479691
  0.314020170301 -0.201774649689  0.103088101451  0.051543262589
  0.133583720128 -0.011651365982  0.001554226922 -0.001043651692
  0.009854233409  0.496252869235 -0.418150565886 -0.229684158169
  0.000195075570  0.551309649150 -0.596002978390 -0.368791287060
 -0.000295727100  0.100439489845  0.459547376469  0.448038476428
  0.000170101870 -0.017539180973  0.818376341520  0.986766592134
 -0.000085266854  0.006079564691  0.114454621611 -0.612946275114
  0.000046183182 -0.002834559696 -0.014266143201 -0.858197153159
 -0.000015172926  0.000872706629  0.003701019252 -0.056277018551
  0.000007014569 -0.000404084219 -0.001697594924  0.012666453899
 -0.000001790122  0.000102017180  0.000406458396 -0.002583499679
  0.000000846884 -0.000048251308 -0.000191967943  0.001192186290
   23    3
  6.6354006000e2  1.4633333600e2 27.560050000000
   54037287.00000000
    7690541.80000000
    1584052.50000000
     401537.96000000
     118214.61000000
      39216.88800000
      14421.82100000
       5787.15760000
       2495.84200000
       1143.88910000
        551.76603000
        277.77559000
        145.09274000
         77.60288500
         41.89261600
         23.21081800
         12.84926500
          6.98577140
          3.72636080
          1.91569770
          0.91682441
          0.41782829
          0.17432319
  0.000007138498 -0.000003569991 -0.000001706357
  0.000023708004 -0.000011863277 -0.000005671180
  0.000069571063 -0.000034845507 -0.000016660126
  0.000192376621 -0.000096508194 -0.000046163973
  0.000523552432 -0.000263239009 -0.000125954090
  0.001432042406 -0.000722597448 -0.000346141429
  0.003960850016 -0.002008593695 -0.000962778347
  0.011057868046 -0.005654381886 -0.002717096091
  0.030371886125 -0.015742637960 -0.007582627176
  0.077895597322 -0.041378638894 -0.020061074936
  0.172007170711 -0.094930966758 -0.046387403852
  0.294468961216 -0.171199719563 -0.084914684729
  0.337977361396 -0.197140109497 -0.097369749689
  0.211474650874 -0.021917182944  0.006864796378
  0.052745894218  0.344421079122  0.253961609190
  0.002867472812  0.498982148728  0.402349888716
  0.000308110481  0.239422359389  0.028876994908
 -0.000215736331  0.034600143912 -0.512995138363
  0.000016352719  0.002088408395 -0.520035738341
 -0.000026101902  0.000119631820 -0.147883259528
  0.000009614252  0.000036713065 -0.007826446475
 -0.000003112158 -0.000020299431 -0.000776172938
  0.000000801047  0.000006095567  0.000164860909
   15    2
  1.1235085200e2 15.154594000000
      20368.56600000
       4340.08250000
       1392.46810000
        542.00596000
        238.03290000
        112.89263000
         56.06424800
         28.65875800
         14.80130600
          7.52642270
          3.71714560
          1.73263820
          0.63840901
          0.22437772
        723.99046e-4
  0.000058958869 -0.000028531997
  0.000565808292 -0.000274158249
  0.003742014414 -0.001821901293
  0.018849814068 -0.009242690065
  0.069759501252 -0.034684290868
  0.187532380678 -0.094944589638
  0.340475501231 -0.170231149350
  0.373484641350 -0.156128359404
  0.191797380693  0.105823559596
  0.034154941123  0.430809678356
  0.001804662507  0.440945848317
  0.000265069361  0.171159599347
  0.000040784882  0.014080966946
  0.000004269716 -0.000691773787
  0.000003581279  0.000291968189
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
* Spin-Orbit-Core basis set:
*
* /Tm.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* T. Tsuchiya, M. Abe, T. Nakajima, K. Hirao. J. Chem. Phys. 115 (2001) 4463-4472. doi:10.1063/1.1390515
********************************************************************************
    3
* s-type functions
   27    6    4
69527140000.00000000
 6923542900.00000000
 1078605900.00000000
  214641640.00000000
   52986807.00000000
   14544765.00000000
    4278843.50000000
    1349987.60000000
     451579.74000000
     159819.14000000
      59606.97800000
      23271.55200000
       9497.01490000
       4035.78640000
       1771.65840000
        800.71134000
        372.28123000
        165.41548000
         77.55943500
         31.40747900
         16.33011200
          6.51571280
          3.18409360
          0.88247619
          0.38709567
        623.78669e-4
        256.53829e-4
  0.000004400000 -0.000001600000  0.000000800000  0.000000400000  0.000000100000  0.000000000000
  0.000017400000 -0.000006500000  0.000003000000  0.000001500000  0.000000600000 -0.000000100000
  0.000055000000 -0.000020400000  0.000009600000  0.000004700000  0.000001800000 -0.000000400000
  0.000145800000 -0.000054100000  0.000025400000  0.000012300000  0.000004700000 -0.000001100000
  0.000341400000 -0.000126700000  0.000059500000  0.000028800000  0.000011000000 -0.000002700000
  0.000786100000 -0.000291800000  0.000137100000  0.000066400000  0.000025400000 -0.000006200000
  0.001722300000 -0.000640000000  0.000300900000  0.000145800000  0.000055700000 -0.000013500000
  0.003627600000 -0.001352500000  0.000635800000  0.000308100000  0.000117900000 -0.000028500000
  0.007454800000 -0.002791000000  0.001314100000  0.000636700000  0.000243500000 -0.000059000000
  0.014951700000 -0.005654500000  0.002662900000  0.001291500000  0.000494100000 -0.000119600000
  0.029721800000 -0.011382500000  0.005383200000  0.002609300000  0.000998000000 -0.000241700000
  0.058646700000 -0.023103800000  0.010937900000  0.005316200000  0.002035100000 -0.000492300000
  0.113039400000 -0.046262600000  0.022156800000  0.010757500000  0.004116000000 -0.000997500000
  0.204636100000 -0.091149100000  0.043926900000  0.021478800000  0.008232900000 -0.001991000000
  0.312263600000 -0.158256300000  0.078987500000  0.038614100000  0.014799100000 -0.003590100000
  0.312415500000 -0.201116300000  0.102727900000  0.051300600000  0.019748700000 -0.004769600000
  0.135127900000 -0.013936200000  0.003002900000 -0.000295000000 -0.000250400000  0.000033000000
  0.010968900000  0.495353600000 -0.417169200000 -0.228745600000 -0.089987500000  0.021931000000
 -0.000206300000  0.553302500000 -0.597587400000 -0.369135100000 -0.149211700000  0.036229600000
 -0.000066100000  0.100532400000  0.462315400000  0.450629700000  0.201045300000 -0.049221600000
  0.000022100000 -0.017647100000  0.817063500000  0.982780900000  0.465481800000 -0.116465200000
 -0.000014900000  0.006032600000  0.112283000000 -0.624221500000 -0.432323500000  0.113701300000
  0.000011700000 -0.002762500000 -0.013630700000 -0.849464400000 -0.745168700000  0.201651100000
 -0.000003800000  0.000834200000  0.003493600000 -0.053892300000  0.721037400000 -0.238418700000
  0.000001700000 -0.000389200000 -0.001612500000  0.012460900000  0.614909500000 -0.383499400000
 -0.000000500000  0.000101700000  0.000400200000 -0.002653600000  0.018957000000  0.681573200000
  0.000000200000 -0.000049300000 -0.000194000000  0.001259200000 -0.006524500000  0.484089700000
* p-type functions
   23    4    3
   54105389.00000000
    7699270.20000000
    1587051.90000000
     402297.35000000
     118193.72000000
      39241.10500000
      14433.19400000
       5787.18320000
       2496.52580000
       1143.89010000
        551.66947000
        277.68866000
        145.09849000
         77.60194000
         41.85551800
         23.20609200
         12.84275900
          7.00460160
          3.74679820
          1.93349660
          0.91673759
          0.41782262
          0.17376625
  0.000007100000 -0.000003600000 -0.000001700000 -0.000000600000
  0.000023700000 -0.000011900000 -0.000005700000 -0.000001900000
  0.000069400000 -0.000034800000 -0.000016600000 -0.000005600000
  0.000192300000 -0.000096500000 -0.000046100000 -0.000015500000
  0.000524000000 -0.000263500000 -0.000125800000 -0.000042400000
  0.001429300000 -0.000721200000 -0.000344800000 -0.000116200000
  0.003961800000 -0.002009300000 -0.000961200000 -0.000324200000
  0.011057600000 -0.005654100000 -0.002711400000 -0.000914700000
  0.030363000000 -0.015740400000 -0.007566400000 -0.002554900000
  0.077924900000 -0.041391800000 -0.020025800000 -0.006767000000
  0.172097800000 -0.095003200000 -0.046330200000 -0.015691300000
  0.294495400000 -0.171190200000 -0.084730600000 -0.028755200000
  0.337779300000 -0.197146200000 -0.097191000000 -0.033009800000
  0.211665700000 -0.021613000000  0.007071600000  0.003792900000
  0.052616700000  0.344809300000  0.253711600000  0.092819400000
  0.002872100000  0.498511700000  0.400836700000  0.150282900000
  0.000286000000  0.239403000000  0.029288500000 -0.009331300000
 -0.000194900000  0.034195400000 -0.506901500000 -0.247164200000
  0.000004200000  0.002445700000 -0.518807700000 -0.297825900000
 -0.000020200000  0.000015700000 -0.154546700000  0.039742600000
  0.000006500000  0.000099500000 -0.009186100000  0.491282000000
 -0.000002000000 -0.000039900000 -0.000772700000  0.511635400000
  0.000000500000  0.000012200000  0.000139500000  0.132844300000
* d-type functions
   15    2    2
      16617.40900000
       4281.66780000
       1514.43440000
        626.37186000
        285.42760000
        138.81170000
         70.87439200
         37.37773300
         20.25233400
         11.01906500
          5.86254000
          3.06534840
          1.54406750
          0.72768718
          0.38004566
  0.000071800000 -0.000034600000
  0.000522500000 -0.000252600000
  0.002954100000 -0.001430200000
  0.013668200000 -0.006675100000
  0.049902000000 -0.024586000000
  0.138947300000 -0.069895400000
  0.275226900000 -0.138234300000
  0.362509900000 -0.171687700000
  0.270233400000 -0.046249900000
  0.095203900000  0.245151200000
  0.012311000000  0.437279500000
  0.000815000000  0.340888000000
  0.000207900000  0.119643500000
  0.000036900000  0.013753400000
  0.000013000000  0.001203900000
* f-type functions
   10    1    0
        379.73766000
        130.35791000
         55.98259200
         26.28106100
         12.98434600
          6.45875730
          3.15261470
          1.47245000
          0.63595283
          0.23902390
 -0.001047800000
 -0.008734400000
 -0.038572400000
 -0.111107300000
 -0.221028500000
 -0.303307700000
 -0.312077000000
 -0.249108200000
 -0.152890900000
 -0.056982200000
End of Spectral Representation Operator

/Yb.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.24el.
T. Tsuchiya, T. Nakajima, K. Hirao, L. Seijo. Chem. Phys. Lett. 361 (2002) 334-340. doi:10.1016/s0009-2614(02)00953-3
YTTERBIUM (14s,10p,9d,8f) -> [2s,1p,1d,1f]
********************************************************************************
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Yb(3H)
********************************************************************************
    24.0   3
* s-type functions
   14    2
    2170486.33200000
     181651.78510000
      26163.17229000
       5180.34615700
       1273.93129700
        146.34845540
         85.99536597
         21.81169058
          4.44578477
      20563.13568e-4
      87022.91434e-5
      38674.32626e-5
       7764.04248e-5
       2976.26011e-5
 -0.000220392130  0.000057345005
 -0.001009654700  0.000262708290
 -0.003734543600  0.000971783410
 -0.012481889000  0.003248188100
 -0.030101808000  0.007836340200
  0.115612010000 -0.030268838000
  0.090442381000 -0.023576339000
 -0.547610490000  0.145941580000
  0.925407140000 -0.267755080000
  0.188938310000 -0.060702323000
 -0.858489560000  0.338121830000
 -0.499721510000  0.354361690000
 -0.013356344000 -0.687538600000
  0.003378717800 -0.510435750000
* p-type functions
   10    1
       3617.72243700
        770.10832580
        230.85854790
         33.82186350
         11.65191663
         10.35886078
      43295.56927e-4
      10033.40289e-4
      45192.47683e-5
      18389.30236e-5
  0.003764143300
  0.020897534000
  0.055614556000
 -0.189670610000
 -0.568647350000
  0.698853590000
  0.364702140000
 -0.511981830000
 -0.524256400000
 -0.119887810000
* d-type functions
    9    1
        471.45394880
        134.66080080
         48.39386692
      89344.10189e-4
      43700.19108e-4
      95746.21192e-5
      38764.51743e-5
      15008.66008e-5
       5369.55847e-5
  0.004145236900
  0.023843720000
  0.050914132000
 -0.099560761000
 -0.100625610000
  0.222056310000
  0.405335510000
  0.419164870000
  0.214399170000
* f-type functions
    8    1
        218.47783210
         74.32336837
         30.52145116
         13.64691895
      62102.20491e-4
      27564.18423e-4
      11460.78033e-4
      41844.16969e-5
  0.004301221700
  0.031406017000
  0.115671320000
  0.257602760000
  0.357164970000
  0.342416520000
  0.228358490000
  0.087716853000
********************************************************************************
* Core AIMP:Yb DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.5573693100e5  1.2143658200e5  3.7681969100e4  1.2968109800e4  4.8003165600e3  1.8165981800e3  6.9963503900e2  3.1614229100e2  1.0997614900e2 54.650749600000 10.000037900000
  2.640215000000  5.395461210000
  0.023447140798  0.020664677052  0.033602142272  0.051931024327  0.071040878500  0.088087888705  0.153451328921  0.204737225519  0.159240703721  0.477999241342  0.411161687061
  0.016654539096  0.204648189352
M2
  0
COREREP
 1.0
PROJOP
    2
   27    4
  4.5326940000e3  7.7805996000e2  1.8003717200e2 37.984214000000
68447991000.00000000
 6858265000.00000000
 1100180900.00000000
  226236590.00000000
   54440291.00000000
   14669680.00000000
    4313298.80000000
    1356553.30000000
     453135.21000000
     160094.08000000
      59462.85600000
      23229.23700000
       9493.12360000
       4035.61000000
       1775.56340000
        803.24615000
        372.18301000
        168.85456000
         79.82520300
         32.83801700
         17.08196800
          6.85877580
          3.37004800
          0.97117766
          0.44201019
        825.44061e-4
          0.03365182
  0.000004752655 -0.000001778893  0.000000838292  0.000000407408
  0.000018645876 -0.000006966119  0.000003281565  0.000001594802
  0.000056479008 -0.000021073305  0.000009926327  0.000004823579
  0.000149861081 -0.000055879065  0.000026314917  0.000012788084
  0.000364732502 -0.000135939721  0.000064025384  0.000031110713
  0.000831672795 -0.000310135363  0.000146046699  0.000070975710
  0.001812493512 -0.000676575155  0.000318767969  0.000154896010
  0.003824191925 -0.001432064012  0.000674724387  0.000327978599
  0.007821118651 -0.002942086924  0.001388255495  0.000674689208
  0.015717670103 -0.005971749148  0.002818817389  0.001371254896
  0.031175266205 -0.012006361097  0.005690893978  0.002767194793
  0.060925838401 -0.024133024195  0.011455046955  0.005584424085
  0.116852200769 -0.048190009390  0.023135948910  0.011270264970
  0.209387841378 -0.093979537760  0.045442163822  0.022288736941
  0.314131242067 -0.161128041303  0.080673133685  0.039582776895
  0.308122922028 -0.198703271607  0.101859909602  0.051029033865
  0.127125950837 -0.000488685354 -0.005705744978 -0.004855253787
  0.008761292758  0.498785204035 -0.423260868345 -0.233374079383
  0.000409133103  0.543079944393 -0.589856027694 -0.366169189032
 -0.000401643523  0.099359088804  0.456692158215  0.446173828821
  0.000233522652 -0.016571423134  0.821480846788  0.991983917379
 -0.000114759101  0.005781359847  0.116830009543 -0.603511778405
  0.000060802932 -0.002716705822 -0.014522673943 -0.865566357713
 -0.000020950192  0.000880312937  0.004000219284 -0.059504473843
  0.000010219025 -0.000427749743 -0.001918248193  0.013926516963
 -0.000002750822  0.000114259571  0.000486036758 -0.002968529992
  0.000001256203 -0.000052163503 -0.000221551239  0.001314422997
   23    3
  6.8683294000e2  1.5192321400e2 28.535346000000
   54295032.00000000
    7723297.40000000
    1589158.60000000
     402251.39000000
     118267.70000000
      39261.47300000
      14433.27600000
       5788.35590000
       2496.92840000
       1143.84840000
        551.62413000
        277.71742000
        145.03406000
         77.49022900
         41.83265200
         23.22259200
         12.88011300
          7.00202800
          3.74003700
          1.91905860
          0.91819692
          0.42374864
          0.17217764
  0.000007618061 -0.000003821253 -0.000001829792
  0.000025293141 -0.000012694640 -0.000006079746
  0.000074193584 -0.000037274168 -0.000017854081
  0.000205248091 -0.000103283750 -0.000049496861
  0.000557523302 -0.000281212621 -0.000134804809
  0.001519741607 -0.000769353653 -0.000369246828
  0.004201469819 -0.002137984409 -0.001026756395
  0.011684701052 -0.005996839226 -0.002887585787
  0.031964037142 -0.016636144072 -0.008029446364
  0.081569323363 -0.043534726188 -0.021156665906
  0.178317430795 -0.098948351427 -0.048466198785
  0.300569001339 -0.175726860758 -0.087416991613
  0.336239021498 -0.194946530841 -0.096102081574
  0.201666880899 -0.003628010216  0.018304203919
  0.046615423208  0.367272081584  0.273054408790
  0.002437511011  0.490322352114  0.395748758247
  0.000135696441  0.220618110951 -0.008914790061
 -0.000120797181  0.029754154128 -0.530481007650
 -0.000029814159  0.001830995808 -0.499951237785
 -0.000001063448  0.000102026620 -0.133300949410
 -0.000000871314  0.000035582718 -0.006351167672
  0.000000822821 -0.000018467639 -0.000774463737
 -0.000000188742  0.000005468497  0.000163196249
   15    2
  1.1685814000e2 15.719161000000
      12608.43100000
       3240.26800000
       1417.56520000
        628.12076000
        283.57287000
        139.68586000
         72.60078900
         38.09993900
         19.87798800
          9.97181060
          4.83871940
          2.22927710
          0.85200686
          0.28983173
        865.93551e-4
  0.000130530900 -0.000063223961
  0.000812768517 -0.000397322623
  0.002931217690 -0.001424807012
  0.014595890950 -0.007198443662
  0.053598261818 -0.026570740229
  0.140177249524 -0.071268119614
  0.274424879068 -0.138300871191
  0.375463928724 -0.179469901546
  0.277735629056 -0.021429898185
  0.077419080737  0.349030783006
  0.004139458686  0.502549244329
  0.000872117387  0.258445272226
 -0.000086073151  0.031138303268
  0.000059602745 -0.001170964410
 -0.000014182321  0.000501825514
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
* Spin-Orbit-Core basis set:
*
* /Yb.DK3.Tsuchiya.27s23p15d10f.6s4p2d1f.
* T. Tsuchiya, M. Abe, T. Nakajima, K. Hirao. J. Chem. Phys. 115 (2001) 4463-4472. doi:10.1063/1.1390515
********************************************************************************
    3
* s-type functions
   27    6    4
71671917000.00000000
 6852841700.00000000
 1106179400.00000000
  229631520.00000000
   55103176.00000000
   14844859.00000000
    4330035.30000000
    1362292.70000000
     455129.54000000
     160284.05000000
      59517.78700000
      23205.18500000
       9486.29640000
       4034.79720000
       1776.82990000
        806.29235000
        375.30396000
        170.09758000
         80.21751000
         33.23581400
         17.20624400
          6.88591310
          3.35803840
          0.91181315
          0.39903684
        630.49721e-4
        255.66065e-4
  0.000004700000 -0.000001700000  0.000000800000  0.000000400000  0.000000200000  0.000000000000
  0.000018800000 -0.000007000000  0.000003300000  0.000001600000  0.000000600000 -0.000000100000
  0.000055800000 -0.000020800000  0.000009800000  0.000004800000  0.000001800000 -0.000000400000
  0.000148300000 -0.000055300000  0.000026100000  0.000012600000  0.000004800000 -0.000001200000
  0.000361600000 -0.000134800000  0.000063500000  0.000030800000  0.000011800000 -0.000002800000
  0.000828500000 -0.000309000000  0.000145500000  0.000070600000  0.000026900000 -0.000006500000
  0.001815500000 -0.000677700000  0.000319300000  0.000154900000  0.000059100000 -0.000014200000
  0.003802700000 -0.001424000000  0.000671000000  0.000325700000  0.000124300000 -0.000029800000
  0.007820800000 -0.002942000000  0.001388200000  0.000673700000  0.000257000000 -0.000061700000
  0.015722600000 -0.005973400000  0.002819800000  0.001369900000  0.000522800000 -0.000125500000
  0.031189800000 -0.012013000000  0.005693800000  0.002764700000  0.001054700000 -0.000253400000
  0.061061200000 -0.024185200000  0.011481600000  0.005589800000  0.002134400000 -0.000512100000
  0.116775700000 -0.048170200000  0.023123700000  0.011248200000  0.004292500000 -0.001031700000
  0.209371100000 -0.093954100000  0.045442400000  0.022259400000  0.008511000000 -0.002041300000
  0.313276800000 -0.160719900000  0.080442600000  0.039409800000  0.015064600000 -0.003624300000
  0.307036300000 -0.197754500000  0.101427400000  0.050751900000  0.019492700000 -0.004668600000
  0.128437600000 -0.004198400000 -0.003571900000 -0.003750100000 -0.001600200000  0.000357100000
  0.009473200000  0.495577600000 -0.418737500000 -0.230340300000 -0.090393000000  0.021846500000
  0.000239400000  0.547083800000 -0.596218100000 -0.369426500000 -0.149032900000  0.035890000000
 -0.000302000000  0.099851000000  0.443086100000  0.430772600000  0.191575200000 -0.046514900000
  0.000166400000 -0.015117100000  0.833587900000  1.002849900000  0.473116500000 -0.117248400000
 -0.000081000000  0.005067000000  0.118367300000 -0.594866800000 -0.411017300000  0.106937200000
  0.000042500000 -0.002283100000 -0.013955000000 -0.873313300000 -0.756797200000  0.202901400000
 -0.000013400000  0.000670400000  0.003542700000 -0.057059300000  0.717261300000 -0.235205400000
  0.000006200000 -0.000313200000 -0.001642500000  0.013761000000  0.613433800000 -0.378575600000
 -0.000001600000  0.000080700000  0.000402500000 -0.002908100000  0.018431200000  0.695989100000
  0.000000800000 -0.000039000000 -0.000194600000  0.001378200000 -0.006326100000  0.467934600000
* p-type functions
   23    4    3
   54522375.00000000
    7756402.20000000
    1591450.30000000
     401990.82000000
     118400.33000000
      39288.98900000
      14434.44400000
       5789.64170000
       2497.81700000
       1143.66880000
        551.53591000
        277.68476000
        144.98333000
         77.52811200
         41.79454800
         23.21254600
         12.92239700
          7.01919830
          3.75167190
          1.93018560
          0.92262189
          0.42161742
          0.17537191
  0.000007600000 -0.000003800000 -0.000001800000 -0.000000600000
  0.000025200000 -0.000012700000 -0.000006100000 -0.000002000000
  0.000074300000 -0.000037300000 -0.000017800000 -0.000006000000
  0.000205200000 -0.000103300000 -0.000049400000 -0.000016600000
  0.000556500000 -0.000280700000 -0.000134300000 -0.000045000000
  0.001520100000 -0.000769500000 -0.000368600000 -0.000123700000
  0.004202200000 -0.002138500000 -0.001025100000 -0.000344000000
  0.011676600000 -0.005992700000 -0.002879800000 -0.000966700000
  0.031962900000 -0.016637200000 -0.008014700000 -0.002692200000
  0.081632000000 -0.043568300000 -0.021129600000 -0.007105200000
  0.178289800000 -0.098949100000 -0.048376300000 -0.016299000000
  0.300728700000 -0.175804500000 -0.087267600000 -0.029478700000
  0.336135300000 -0.194991700000 -0.095978800000 -0.032385100000
  0.201429000000 -0.003285900000  0.018543800000  0.007775800000
  0.046949700000  0.368096300000  0.272943600000  0.099644200000
  0.002138300000  0.488696400000  0.394093400000  0.146576400000
  0.000317200000  0.220305000000 -0.008114200000 -0.024807500000
 -0.000224900000  0.030863200000 -0.525725200000 -0.256838100000
  0.000028400000  0.001525800000 -0.499958600000 -0.285288100000
 -0.000029900000  0.000284800000 -0.137870300000  0.062313400000
  0.000011200000 -0.000025100000 -0.007534600000  0.494668200000
 -0.000003900000  0.000008600000 -0.000789900000  0.500345900000
  0.000000900000 -0.000000200000  0.000143500000  0.127329700000
* d-type functions
   15    2    2
      18187.93200000
       4693.70600000
       1574.51950000
        630.46752000
        284.53395000
        138.57521000
         70.87766300
         37.39173500
         20.23540500
         10.97915700
          5.84952860
          3.05669180
          1.52299580
          0.65156983
        857.28077e-4
  0.000065300000 -0.000031500000
  0.000496500000 -0.000240800000
  0.003095900000 -0.001504300000
  0.014785500000 -0.007248700000
  0.053391900000 -0.026422200000
  0.145663100000 -0.073618100000
  0.283510200000 -0.142735700000
  0.364275600000 -0.171436500000
  0.259943800000 -0.029675900000
  0.085888300000  0.265435400000
  0.010172600000  0.438165500000
  0.000843100000  0.327026000000
  0.000167000000  0.109169100000
  0.000054700000  0.011087400000
  0.000001800000  0.000127500000
* f-type functions
   10    1    0
        936.47925000
        236.16785000
         88.82383000
         38.89926000
         18.23438400
          8.74166850
          4.09937970
          1.83554510
          0.75881066
          0.27270801
 -0.000188300000
 -0.003061200000
 -0.020090400000
 -0.074019300000
 -0.183406500000
 -0.298460100000
 -0.341031400000
 -0.286611400000
 -0.179320300000
 -0.068948600000
End of Spectral Representation Operator

/Lu.DK3-AIMP.Tsuchiya.14s10p9d8f.2s1p1d1f.ECP.25el.
T. Tsuchiya, T. Nakajima, K. Hirao, L. Seijo. Chem. Phys. Lett. 361 (2002) 334-340. doi:10.1016/s0009-2614(02)00953-3
LUTETIUM (14s,10p,9d,8f) -> [2s,1p,1d,1f]
********************************************************************************
* core=[Kr,4d]
* valence basis set (14s10p9d8f) optimized in DK3 SCF on Lu(2D)
********************************************************************************
    25.0   3
* s-type functions
   14    2
    2906822.19300000
     256696.59210000
      30293.40749000
       5418.52282300
       1292.60427000
        166.29305650
         98.96280450
         22.72550336
      45193.85575e-4
      14322.58436e-4
      90391.03839e-5
      38378.23424e-5
       7997.62698e-5
       3122.77313e-5
  0.000182184800 -0.000047354355
  0.000883244490 -0.000229575610
  0.003762381400 -0.000978014440
  0.012958392000 -0.003368575900
  0.030296066000 -0.007879235100
 -0.082158239000  0.021501779000
 -0.122985740000  0.032045344000
  0.542722030000 -0.144425870000
 -0.973664600000  0.281312300000
 -0.247859780000  0.092465205000
  1.012531300000 -0.409576190000
  0.459183050000 -0.329972610000
  0.011082962000  0.683696490000
 -0.002720564000  0.513704350000
* p-type functions
   10    1
       3620.70287500
        781.23580700
        236.72345510
         35.38009400
         13.26838581
         10.30696388
      44989.09369e-4
      10421.01327e-4
      46872.25403e-5
      18772.07916e-5
  0.003932855900
  0.021213912000
  0.055222020000
 -0.185727270000
 -0.250525890000
  0.375326580000
  0.363973140000
 -0.504741190000
 -0.530434450000
 -0.121081600000
* d-type functions
    9    1
        489.74427260
        140.37919300
         50.44242394
          9.32561825
      45996.16716e-4
      96779.93448e-5
      38279.92147e-5
       1442.48132e-4
       5026.75405e-5
  0.003872043500
  0.022246230000
  0.047969648000
 -0.091762832000
 -0.094997639000
  0.216716800000
  0.401114380000
  0.427552700000
  0.226547650000
* f-type functions
    8    1
        229.17924950
         77.88609505
         31.98382325
         14.30733882
      65136.04279e-4
      28869.48328e-4
      11968.58248e-4
      43517.46726e-5
  0.004246414400
  0.031234756000
  0.115623580000
  0.257579650000
  0.357048840000
  0.342560820000
  0.228881300000
  0.088610531000
********************************************************************************
* Core AIMP:Lu DK3  [Kr,4d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 13
  5.5561544400e5  1.2186597700e5  3.7949007000e4  1.3093039000e4  4.8595316800e3  1.8421979000e3  7.1211223700e2  3.2291240600e2  1.1207593700e2 56.583651200000  2.708337580000
 10.364696000000  5.560551870000
  0.022963830869  0.020135812037  0.032712158176  0.050310489231  0.068412418760  0.084975149089  0.149401586607  0.194473938991  0.154451259122  0.455204617800  0.015085860787
  0.398262744809  0.193610133722
M2
  0
COREREP
 1.0
PROJOP
    2
   27    4
  4.6794208000e3  8.0633310000e2  1.8699362600e2 39.378544000000
67013119000.00000000
 7216717800.00000000
 1171529200.00000000
  235233120.00000000
   55877724.00000000
   14949778.00000000
    4363017.00000000
    1375340.50000000
     456540.52000000
     160435.37000000
      59637.10400000
      23233.14400000
       9474.04090000
       4032.73130000
       1779.75390000
        807.87768000
        374.92607000
        172.16227000
         81.75905400
         34.04620200
         17.67359800
          7.08409260
          3.47950730
          0.99316525
          0.44583214
        772.13035e-4
        305.33522e-4
  0.000005068864 -0.000001906306  0.000000900292  0.000000438192
  0.000018877434 -0.000007085714  0.000003345141  0.000001628126
  0.000058264326 -0.000021840485  0.000010309860  0.000005017397
  0.000157705999 -0.000059071978  0.000027878415  0.000013568039
  0.000382454837 -0.000143191849  0.000067585036  0.000032889008
  0.000877173742 -0.000328566977  0.000155058351  0.000075467278
  0.001901789984 -0.000713130814  0.000336707652  0.000163854940
  0.003994899866 -0.001502703087  0.000709536523  0.000345416629
  0.008247124329 -0.003117070873  0.001473982907  0.000717412078
  0.016454239859 -0.006281475845  0.002971674714  0.001447830797
  0.032488004721 -0.012580293889  0.005976321727  0.002910265194
  0.063571851454 -0.025323224777  0.012049774055  0.005883975788
  0.120921588962 -0.050246135557  0.024185724111  0.011799004975
  0.213869588164 -0.096778781148  0.046937617215  0.023067933951
  0.315273377293 -0.163524858560  0.082164501376  0.040369745915
  0.302332067404 -0.195370318279  0.100379610460  0.050440944894
  0.120476528966  0.011870046895 -0.013680640063 -0.009226128281
  0.007502277936  0.504488675557 -0.432117841979 -0.238849789497
  0.000642652074  0.532890695307 -0.581136482661 -0.363057679235
 -0.000515698856  0.095235854161  0.467413022141  0.460064289030
  0.000298095727 -0.014671988871  0.817086743742  0.984810307924
 -0.000142644409  0.005006449456  0.114969230527 -0.617793408698
  0.000073522143 -0.002333245879 -0.014444570066 -0.854754008198
 -0.000024483046  0.000728723594  0.003870183518 -0.057147940880
  0.000011638408 -0.000343501697 -0.001808526708  0.013182255972
 -0.000002970252  0.000087168567  0.000436059192 -0.002691890294
  0.000001366522 -0.000040064158 -0.000200172241  0.001204363397
   23    3
  7.1057042000e2  1.5762325400e2 29.530720000000
   55602773.00000000
    7765745.90000000
    1589584.30000000
     401810.95000000
     118603.34000000
      39300.00000000
      14430.35400000
       5793.12460000
       2497.82150000
       1143.71730000
        551.39771000
        277.75014000
        145.03033000
         77.44745600
         41.75015500
         23.22694800
         12.93638700
          7.02606490
          3.74450470
          1.89919080
          0.91463474
          0.42267369
          0.17333636
  0.000008053016 -0.000004051209 -0.000001943161
  0.000027096331 -0.000013639463 -0.000006543219
  0.000079399905 -0.000040008698 -0.000019196357
  0.000218559082 -0.000110311940 -0.000052954858
  0.000591128954 -0.000299093889 -0.000143624051
  0.001617836812 -0.000821596458 -0.000395008723
  0.004448905033 -0.002271665996 -0.001092913009
  0.012328608092 -0.006349629788 -0.003063158026
  0.033629674250 -0.017575214967 -0.008499295471
  0.085355033635 -0.045762529913 -0.022287580186
  0.184625391374 -0.103010229804 -0.050573176423
  0.306169282278 -0.179911999658 -0.089732460750
  0.333940982485 -0.192212169634 -0.094520253790
  0.191867411428  0.015538134970  0.030471174255
  0.041383180308  0.389485639259  0.292083642440
  0.001845875014  0.478694159089  0.385734733223
  0.000145632291  0.202736579614 -0.045237416378
 -0.000134739291  0.026119542950 -0.546010134562
 -0.000015299491  0.001464321997 -0.482237564029
 -0.000006162648  0.000151815930 -0.117945340985
  0.000001771210  0.000004428836 -0.004264897136
 -0.000000219258 -0.000005847205 -0.000945507508
  0.000000058151  0.000002491411  0.000207407562
   15    2
  1.2144532800e2 16.295185000000
      16241.49300000
       4278.98820000
       1524.59710000
        640.85771000
        295.56552000
        143.52658000
         71.89617500
         36.65707500
         18.88423700
          9.51045680
          4.62082260
          2.11200860
          0.75168436
          0.25140270
        754.71915e-4
  0.000085219620 -0.000041413658
  0.000603949358 -0.000295464710
  0.003323221987 -0.001624035399
  0.014679301941 -0.007257516096
  0.052566813788 -0.026161814987
  0.148478199402 -0.075643815963
  0.301108628787 -0.152389289926
  0.388476238436 -0.180816369912
  0.249943248993  0.020911205990
  0.059022357762  0.386050669812
  0.003147909887  0.487287969763
  0.000573161398  0.223357199891
 -0.000002711664  0.021252605990
  0.000021873356 -0.001399126599
 -0.000006302991  0.000461047270
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
* Spin-Orbit-Core basis set:
*
* /Lu.DK3.Tsuchiya.27s23p15d10f.6s4p3d1f.
* T. Tsuchiya, M. Abe, T. Nakajima, K. Hirao. J. Chem. Phys. 115 (2001) 4463-4472. doi:10.1063/1.1390515
********************************************************************************
    3
* s-type functions
   27    6    4
67013119000.00000000
 7216717800.00000000
 1171529200.00000000
  235233120.00000000
   55877724.00000000
   14949778.00000000
    4363017.00000000
    1375340.50000000
     456540.52000000
     160435.37000000
      59637.10400000
      23233.14400000
       9474.04090000
       4032.73130000
       1779.75390000
        807.87768000
        374.92607000
        172.16227000
         81.75905400
         34.04620200
         17.67359800
          7.08409260
          3.47950730
          0.99316525
          0.44583214
        772.13035e-4
        305.33522e-4
  0.000005100000 -0.000001900000  0.000000900000  0.000000400000 -0.000000200000  0.000000000000
  0.000018900000 -0.000007100000  0.000003300000  0.000001600000 -0.000000600000  0.000000200000
  0.000058300000 -0.000021800000  0.000010300000  0.000005000000 -0.000001900000  0.000000500000
  0.000157700000 -0.000059100000  0.000027900000  0.000013600000 -0.000005300000  0.000001400000
  0.000382500000 -0.000143200000  0.000067600000  0.000032900000 -0.000012800000  0.000003300000
  0.000877200000 -0.000328600000  0.000155100000  0.000075500000 -0.000029300000  0.000007600000
  0.001901800000 -0.000713100000  0.000336700000  0.000163900000 -0.000063600000  0.000016500000
  0.003994900000 -0.001502700000  0.000709500000  0.000345400000 -0.000134200000  0.000034800000
  0.008247100000 -0.003117100000  0.001474000000  0.000717400000 -0.000278700000  0.000072400000
  0.016454200000 -0.006281500000  0.002971700000  0.001447800000 -0.000562600000  0.000146000000
  0.032488000000 -0.012580300000  0.005976300000  0.002910300000 -0.001130400000  0.000293600000
  0.063571900000 -0.025323200000  0.012049800000  0.005884000000 -0.002287700000  0.000593800000
  0.120921600000 -0.050246100000  0.024185700000  0.011799000000 -0.004584600000  0.001191000000
  0.213869600000 -0.096778800000  0.046937600000  0.023067900000 -0.008982500000  0.002331100000
  0.315273400000 -0.163524900000  0.082164500000  0.040369700000 -0.015710600000  0.004083600000
  0.302332100000 -0.195370300000  0.100379600000  0.050440900000 -0.019740400000  0.005122400000
  0.120476500000  0.011870000000 -0.013680600000 -0.009226100000  0.003827700000 -0.000987600000
  0.007502300000  0.504488700000 -0.432117800000 -0.238849800000  0.095455900000 -0.024901900000
  0.000642700000  0.532890700000 -0.581136500000 -0.363057700000  0.149510200000 -0.039068000000
 -0.000515700000  0.095235800000  0.467413000000  0.460064300000 -0.209381100000  0.055396900000
  0.000298100000 -0.014672000000  0.817086700000  0.984810300000 -0.473378900000  0.126564500000
 -0.000142600000  0.005006500000  0.114969200000 -0.617793400000  0.434276200000 -0.121509400000
  0.000073500000 -0.002333200000 -0.014444600000 -0.854754000000  0.769856000000 -0.227806700000
 -0.000024500000  0.000728700000  0.003870200000 -0.057147900000 -0.706489000000  0.263068600000
  0.000011600000 -0.000343500000 -0.001808500000  0.013182200000 -0.638399100000  0.408738000000
 -0.000003000000  0.000087200000  0.000436000000 -0.002692000000 -0.022423500000 -0.691381800000
  0.000001400000 -0.000040100000 -0.000200100000  0.001204400000  0.006997600000 -0.491269800000
* p-type functions
   23    4    3
   55602773.00000000
    7765745.90000000
    1589584.30000000
     401810.95000000
     118603.34000000
      39300.00000000
      14430.35400000
       5793.12460000
       2497.82150000
       1143.71730000
        551.39771000
        277.75014000
        145.03033000
         77.44745600
         41.75015500
         23.22694800
         12.93638700
          7.02606490
          3.74450470
          1.89919080
          0.91463474
          0.42267369
          0.17333636
  0.000008100000 -0.000004100000 -0.000001900000 -0.000000700000
  0.000027100000 -0.000013600000 -0.000006500000 -0.000002300000
  0.000079400000 -0.000040000000 -0.000019200000 -0.000006600000
  0.000218600000 -0.000110300000 -0.000053000000 -0.000018300000
  0.000591100000 -0.000299100000 -0.000143600000 -0.000049500000
  0.001617800000 -0.000821600000 -0.000395000000 -0.000136300000
  0.004448900000 -0.002271700000 -0.001092900000 -0.000377200000
  0.012328600000 -0.006349600000 -0.003063200000 -0.001057600000
  0.033629700000 -0.017575200000 -0.008499300000 -0.002936200000
  0.085355000000 -0.045762500000 -0.022287600000 -0.007709700000
  0.184625400000 -0.103010200000 -0.050573200000 -0.017525000000
  0.306169300000 -0.179912000000 -0.089732500000 -0.031190000000
  0.333941000000 -0.192212200000 -0.094520300000 -0.032755400000
  0.191867400000  0.015538100000  0.030471200000  0.012326500000
  0.041383200000  0.389485600000  0.292083600000  0.110110000000
  0.001845900000  0.478694200000  0.385734700000  0.147151800000
  0.000145600000  0.202736600000 -0.045237400000 -0.041962200000
 -0.000134700000  0.026119500000 -0.546010100000 -0.277689600000
 -0.000015300000  0.001464300000 -0.482237600000 -0.285529100000
 -0.000006200000  0.000151800000 -0.117945300000  0.108646700000
  0.000001800000  0.000004400000 -0.004264900000  0.536411100000
 -0.000000200000 -0.000005800000 -0.000945500000  0.461655800000
  0.000000100000  0.000002500000  0.000207400000  0.093271300000
* d-type functions
   15    3    2
      16241.49300000
       4278.98820000
       1524.59710000
        640.85771000
        295.56552000
        143.52658000
         71.89617500
         36.65707500
         18.88423700
          9.51045680
          4.62082260
          2.11200860
          0.75168436
          0.25140270
        754.71915e-4
  0.000085200000 -0.000041400000  0.000007500000
  0.000603900000 -0.000295500000  0.000055000000
  0.003323200000 -0.001624000000  0.000295300000
  0.014679300000 -0.007257500000  0.001351000000
  0.052566800000 -0.026161800000  0.004776300000
  0.148478200000 -0.075643800000  0.014133300000
  0.301108600000 -0.152389300000  0.027803800000
  0.388476200000 -0.180816400000  0.033800000000
  0.249943300000  0.020911200000 -0.011089100000
  0.059022400000  0.386050700000 -0.081324200000
  0.003147900000  0.487288000000 -0.110889800000
  0.000573200000  0.223357200000  0.031344600000
 -0.000002700000  0.021252600000  0.319660600000
  0.000021900000 -0.001399100000  0.515509600000
 -0.000006300000  0.000461000000  0.396529700000
* f-type functions
   10    1    0
       1573.11130000
        295.92915000
        108.34588000
         47.08844000
         21.82595400
         10.48002400
          4.98865320
          2.30476150
          0.99952257
          0.38102157
 -0.000091000000
 -0.002171700000
 -0.015307800000
 -0.061728400000
 -0.165874100000
 -0.287806200000
 -0.342420900000
 -0.296328300000
 -0.186906200000
 -0.069040900000
End of Spectral Representation Operator

********************************************************************************
*         C.3.3.2.a. Actinide Elements (core [Xe,4f,5d])
********************************************************************************
*  Please, report any bug, deficiency, or suggestion regarding this library
*  to Jozef Paulovic (paulovic@qcl.t.u-tokyo.ac.jp). Thank you.
********************************************************************************

/Th.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.12el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
THORIUM (14s,10p,11d,9f) -> [2s,1p,1d,1f]
********************************************************************************
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on ThQR(5I)
********************************************************************************
    12.0   3
* s-type functions
   14    2
    8512891.97500000
     767884.52260000
      90317.25691000
      14753.28614000
       3100.22546400
        250.64799470
         42.51822093
      99639.99141e-4
      23208.31126e-4
      15479.40618e-4
       4998.58484e-4
       2451.56285e-4
        665.72643e-4
        272.02726e-4
 -0.000155422810 -0.000046982137
 -0.000645641220 -0.000195171630
 -0.002329555800 -0.000704189980
 -0.007129854600 -0.002155486300
 -0.016743782000 -0.005061493700
  0.109074000000  0.033030518000
 -0.348263970000 -0.106296400000
  0.768069250000  0.241110230000
 -1.102021900000 -0.391500110000
 -0.203617650000 -0.060041188000
  0.915597150000  0.457695280000
  0.463898450000  0.378391930000
  0.021660468000 -0.549979570000
 -0.003320962600 -0.692738480000
* p-type functions
   10    1
       8981.67465700
       1674.72577200
        461.93056530
         62.26674285
         11.93848728
      27921.63503e-4
      17222.61992e-4
       5340.10162e-4
       2482.77282e-4
        986.40483e-4
  0.002043376500
  0.011342711000
  0.032218830000
 -0.125903090000
  0.312743250000
 -0.427345430000
 -0.237961580000
  0.587403070000
  0.517656300000
  0.087570657000
* d-type functions
   11    1
        935.19341650
        267.75755930
         98.10859153
         17.59108676
      70293.53271e-4
      45590.33891e-4
      19357.23031e-4
       4126.89821e-4
       1925.99199e-4
        836.03812e-4
        318.06457e-4
 -0.002179609100
 -0.012427423000
 -0.028295519000
  0.074722560000
  0.077980765000
 -0.120631130000
 -0.183758170000
  0.248068370000
  0.390863660000
  0.409684320000
  0.169630460000
* f-type functions
    9    1
        261.20762010
         88.05207196
         35.66188789
         15.24958064
      29963.01688e-4
          1.31733657
       5580.94773e-4
       2173.69872e-4
        725.69778e-4
 -0.004747943300
 -0.029287439000
 -0.083675203000
 -0.110290510000
  0.226679630000
  0.388224550000
  0.380847780000
  0.254462550000
  0.100131860000
********************************************************************************
* Core AIMP:Th DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.6890111200e5  1.1983934200e5  3.6398879400e4  1.2258009500e4  4.3412295000e3  1.5747873500e3  6.6467733800e2  2.4459189300e2  1.1241347100e2 23.636736900000 15.745456900000
  4.510015010000  2.517330800000  1.288759870000
  0.076662432473  0.068864062303  0.108615656176  0.155671781634  0.202548258509  0.332576445501  0.496986007719  0.368591797852  1.172752122994  1.331259223024  0.763980940002
  0.796075918866  0.559315895081  0.066099457867
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  8.1202784000e3  1.5182022400e3  3.8661064000e2  1.0052086800e2 23.170256000000
        326.65313e10
        310.476820e9
48590502000.00000000
10009456000.00000000
 2503116700.00000000
  726985140.00000000
  241498670.00000000
   86685553.00000000
   30891912.00000000
   10737389.00000000
    3721407.30000000
    1313761.00000000
     479917.37000000
     184601.85000000
      75356.43500000
      32757.50900000
      15103.31800000
       7258.40120000
       3578.81240000
       1803.32470000
        924.23847000
        469.58869000
        243.08611000
        126.33571000
         70.38138500
         39.22485900
         21.17095700
         12.26719900
          6.80958440
          3.21161520
          1.63777470
          0.75934918
          0.33378405
        762.25497e-4
        306.35439e-4
  0.000001500000 -0.000000600000  0.000000300000  0.000000200000 -0.000000100000
  0.000005999999 -0.000002500000  0.000001200000  0.000000600000 -0.000000300000
  0.000017699998 -0.000007400000  0.000003600000  0.000001900000 -0.000000900000
  0.000044199996 -0.000018300001  0.000008900000  0.000004600000 -0.000002300000
  0.000097899990 -0.000040400001  0.000019700000  0.000010200000 -0.000005000000
  0.000195499980 -0.000080600003  0.000039300000  0.000020299999 -0.000009900001
  0.000358099964 -0.000147500005  0.000071900000  0.000037099999 -0.000018100001
  0.000671999933 -0.000276600009  0.000134700000  0.000069599998 -0.000034000002
  0.001334199867 -0.000548900018  0.000267400000  0.000138099996 -0.000067400004
  0.002650699735 -0.001090900036  0.000531400001  0.000274499992 -0.000134000008
  0.005143399486 -0.002120100070  0.001033000002  0.000533599984 -0.000260500015
  0.009718999029 -0.004020900133  0.001960500003  0.001012699969 -0.000494400028
  0.017709398230 -0.007376700244  0.003600800006  0.001860799943 -0.000908600052
  0.030912396911 -0.013026300432  0.006371600010  0.003293999899 -0.001608300092
  0.051852394819 -0.022252000737  0.010918300017  0.005650299827 -0.002760200158
  0.083127091694 -0.036690101216  0.018093700029  0.009371399712 -0.004577100262
  0.128110087199 -0.058947201953  0.029281800046  0.015206199533 -0.007437700426
  0.189100281105 -0.092717403073  0.046619200074  0.024251899256 -0.011852200679
  0.250210274999 -0.134478004456  0.068782100109  0.036018698895 -0.017673401012
  0.258867874134 -0.154084605106  0.080550300128  0.042238298704 -0.020642801182
  0.168982883115 -0.069094902290  0.030718600049  0.015631099520 -0.007736500443
  0.045390395465  0.222236707365 -0.178078400282 -0.104862796782  0.053341803056
  0.000577799942  0.522106317302 -0.509857400807 -0.314387190352  0.160149809174
  0.001154399885  0.351340111643 -0.404611100641 -0.275431391548  0.147974108476
 -0.000943799906  0.048082301593  0.410835400650  0.413052587325 -0.247345014169
  0.000630399937  0.011366900377  0.749854601187  0.986382469731 -0.609792334931
 -0.000461899954 -0.006148200204  0.270014900427  0.190941794141 -0.122772807033
  0.000317599968  0.003919600130  0.001061600002 -0.923540671659  0.965008955278
 -0.000152199985 -0.001999400066  0.008223600013 -0.595841881715  0.853257948877
  0.000066899993  0.000896900030 -0.003142400005 -0.054198098337 -0.894314251229
 -0.000034799997 -0.000451700015  0.001403500002  0.004659999857 -0.759312543496
  0.000013799999  0.000180600006 -0.000571100001 -0.001587299951 -0.037414002143
 -0.000004200000 -0.000056700002  0.000184400000  0.000508199984 -0.003592300206
  0.000001000000  0.000013600000 -0.000043200000 -0.000099699997  0.000903700052
 -0.000000400000 -0.000005500000  0.000017400000  0.000040299999 -0.000379200022
   26    4
  1.2782412200e3  3.1852730000e2 77.833364000000 16.018769000000
  513699160.00000000
   72421457.00000000
   14656467.00000000
    3626770.80000000
    1033739.10000000
     328733.08000000
     114502.16000000
      43192.75800000
      17522.32200000
       7571.81700000
       3457.32560000
       1654.56170000
        825.21610000
        426.98117000
        227.71204000
        123.67773000
         68.08675600
         37.99941800
         20.91984100
         11.37448200
          6.15641510
          3.18598650
          1.62912310
          0.73712707
          0.34729667
          0.14257602
  0.000005400000 -0.000002900000 -0.000001500000 -0.000000700000
  0.000017300000 -0.000009100000 -0.000004700000 -0.000002200000
  0.000047500000 -0.000025000001 -0.000012899999 -0.000006100000
  0.000119500001 -0.000063000002 -0.000032599999 -0.000015400001
  0.000286900002 -0.000151500004 -0.000078499997 -0.000037000001
  0.000673200004 -0.000356400009 -0.000184799992 -0.000087000003
  0.001574100009 -0.000836400021 -0.000434199981 -0.000204400008
  0.003695200021 -0.001973700051 -0.001025799956 -0.000483400018
  0.008756300050 -0.004711700121 -0.002452999895 -0.001155400043
  0.020863900118 -0.011349200292 -0.005925699746 -0.002796600105
  0.049025900278 -0.027129600697 -0.014222499390 -0.006708000251
  0.108519900614 -0.061676901585 -0.032566398604 -0.015421100578
  0.208445801180 -0.123003303161 -0.065557097189 -0.031026601162
  0.311351801763 -0.191089004911 -0.103104995580 -0.049176201842
  0.307307101740 -0.167003904292 -0.085245396345 -0.039546801482
  0.159426300903  0.083280402140  0.084605496373  0.044844701680
  0.029395000166  0.445950211461  0.380605383683  0.205024607682
  0.001489600008  0.444154311415  0.364017784394  0.184377006908
 -0.000290800002  0.148030803804 -0.232719790023 -0.186387506983
  0.000072700000  0.010445900268 -0.664258971522 -0.578129121661
 -0.000094400001  0.001155300030 -0.324296086097 -0.165023606183
  0.000059200000 -0.000563800014 -0.034051798540  0.650295924365
 -0.000022200000  0.000165100004 -0.000477299980  0.549399920584
  0.000011200000 -0.000087600002  0.000041199998  0.077902702919
 -0.000004700000  0.000037900001  0.000026799999 -0.002822200106
  0.000001100000 -0.000009200000 -0.000005300000  0.000606600023
   18    3
  2.5346524000e2 52.954426000000  7.649783000000
      49771.50700000
      11053.50600000
       3578.19830000
       1429.37070000
        649.33676000
        320.59636000
        168.35503000
         91.70563600
         50.84265200
         27.98680600
         15.00260700
          8.00478470
          4.16739970
          2.10922990
          1.02265850
          0.43363914
          0.17416264
        629.67716e-4
  0.000060700000  0.000033600000  0.000014400000
  0.000456900003  0.000253500000  0.000109199999
  0.002477200017  0.001379099998  0.000593399993
  0.010746000072  0.006026999991  0.002603599970
  0.037691000253  0.021337699969  0.009213499895
  0.104562900702  0.060288399912  0.026215699702
  0.218394201466  0.126958699816  0.055088799375
  0.331023302222  0.187089899728  0.081203599078
  0.321100602155  0.127492999815  0.046890299468
  0.160333601076 -0.164826899761 -0.103846898821
  0.029627500199 -0.467794499321 -0.269803896938
  0.001072800007 -0.393132299429 -0.173256098033
  0.000233400002 -0.112356499837  0.279139596832
 -0.000072000000 -0.005999699991  0.554598393705
  0.000029600000 -0.000290100000  0.315566296418
 -0.000008300000  0.000212700000  0.042988699512
  0.000003900000 -0.000054600000 -0.001463399983
 -0.000001000000  0.000018700000  0.000627699993
   13    1
 26.702214000000
       1857.71940000
        625.83883000
        264.91641000
        126.38165000
         64.32810700
         34.31785700
         18.70337700
         10.31029500
          5.53908710
          4.39322300
          3.35314890
          1.72515190
          0.83161755
  0.000203100007
  0.001862900060
  0.010813200349
  0.042612401376
  0.118426503824
  0.233825907551
  0.321889810395
  0.309676610000
  0.220981807136
 -0.062964202033
  0.087167402815
  0.009679900313
  0.000222100007
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Th.AE.Paulovic.35s26p18d13f.7s5p4d2f.ECP.90e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        326.65313e10
        310.476820e9
48590502000.00000000
10009456000.00000000
 2503116700.00000000
  726985140.00000000
  241498670.00000000
   86685553.00000000
   30891912.00000000
   10736438.00000000
    3721407.30000000
    1313793.10000000
     479917.37000000
     184601.85000000
      75363.79400000
      32757.50900000
      15101.93500000
       7257.33800000
       3578.46290000
       1803.32470000
        924.23283000
        469.58726000
        243.08351000
        126.33571000
         70.38138500
         39.22479900
         21.17095700
         12.26756600
          6.80958440
          3.21136040
          1.63777970
          0.75934977
          0.33378571
        762.31452e-4
        306.34691e-4
  0.000001500000 -0.000000600000  0.000000300000  0.000000200000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000006000000 -0.000002500000  0.000001200000  0.000000600000 -0.000000300000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000017700000 -0.000007400000  0.000003600000  0.000001900000 -0.000000900000  0.000000400000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000044200000 -0.000018300000  0.000008900000  0.000004600000 -0.000002300000  0.000001000000 -0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000097900000 -0.000040400000  0.000019700000  0.000010200000 -0.000005000000  0.000002200000 -0.000000700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000195500000 -0.000080600000  0.000039300000  0.000020300000 -0.000009900000  0.000004300000 -0.000001300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000358100000 -0.000147500000  0.000071900000  0.000037100000 -0.000018100000  0.000007900000 -0.000002400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000672000000 -0.000276600000  0.000134700000  0.000069600000 -0.000033900000  0.000014800000 -0.000004500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001334300000 -0.000549000000  0.000267400000  0.000138100000 -0.000067400000  0.000029300000 -0.000008800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002650800000 -0.001091000000  0.000531400000  0.000274400000 -0.000133800000  0.000058300000 -0.000017600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005143000000 -0.002120000000  0.001032900000  0.000533500000 -0.000260200000  0.000113300000 -0.000034200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.009718900000 -0.004020900000  0.001960400000  0.001012600000 -0.000493900000  0.000215100000 -0.000064900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.017710300000 -0.007377100000  0.003601000000  0.001860800000 -0.000907700000  0.000395300000 -0.000119200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.030909600000 -0.013025200000  0.006371000000  0.003293400000 -0.001606500000  0.000699600000 -0.000211100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.051847900000 -0.022250200000  0.010917300000  0.005649300000 -0.002757100000  0.001201100000 -0.000362100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.083142200000 -0.036696900000  0.018097000000  0.009372300000 -0.004573000000  0.001991500000 -0.000601400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.128126800000 -0.058955700000  0.029286000000  0.015207000000 -0.007431200000  0.003239100000 -0.000975300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.189123400000 -0.092730600000  0.046625700000  0.024253000000 -0.011840500000  0.005154900000 -0.001559900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.250176600000 -0.134463300000  0.068774500000  0.036011900000 -0.017654800000  0.007706300000 -0.002313400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.258850300000 -0.154074000000  0.080544500000  0.042230500000 -0.020614700000  0.008961100000 -0.002730000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.168989800000 -0.069100800000  0.030721300000  0.015633100000 -0.007739400000  0.003425300000 -0.000975700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.045384300000  0.222250600000 -0.178089000000 -0.104863100000  0.053311200000 -0.023544500000  0.006985500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000581400000  0.522114600000 -0.509874000000 -0.314359900000  0.159930000000 -0.070121800000  0.021475800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001151400000  0.351325600000 -0.404567800000 -0.275385800000  0.147923800000 -0.066511100000  0.019436200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000941000000  0.048077300000  0.410830400000  0.413063500000 -0.247363200000  0.114405900000 -0.033265900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000628500000  0.011366300000  0.749847800000  0.986013600000 -0.608433900000  0.277420400000 -0.087295700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000460500000 -0.006146800000  0.270009700000  0.191341000000 -0.123906500000  0.066907300000 -0.015019200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000316700000  0.003919600000  0.001062100000 -0.923356500000  0.965387800000 -0.522322700000  0.153656000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000151700000 -0.001998900000  0.008223500000 -0.596259100000  0.850159700000 -0.476574400000  0.162306600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000066700000  0.000896400000 -0.003139900000 -0.054025900000 -0.889994700000  0.720814500000 -0.259183700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000034600000 -0.000451800000  0.001403800000  0.004594800000 -0.758490500000  0.927704100000 -0.311347900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000013700000  0.000180800000 -0.000572400000 -0.001586300000 -0.040628000000 -0.584140500000  0.226915600000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000004300000 -0.000056800000  0.000186200000  0.000501000000 -0.003435300000 -0.936371400000  0.631085300000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000001000000  0.000013700000 -0.000043800000 -0.000096200000  0.000825000000 -0.066685800000 -0.341236800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000300000 -0.000005600000  0.000016200000  0.000039800000 -0.000335200000  0.015491300000 -0.860856600000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  504035310.00000000
   71937427.00000000
   14707036.00000000
    3647674.20000000
    1040154.60000000
     330068.62000000
     114785.57000000
      43267.53200000
      17529.80100000
       7569.94370000
       3454.58540000
       1653.00480000
        824.69367000
        427.12654000
        227.81286000
        123.57341000
         67.66239600
         37.60196100
         20.69732500
         11.31179700
          6.14899840
          3.18688360
          1.61058580
          0.69768148
          0.32143152
          0.13160677
  0.000005500000 -0.000002900000 -0.000001500000 -0.000000700000  0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000017200000 -0.000009100000 -0.000004700000 -0.000002200000  0.000000900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000047200000 -0.000024800000 -0.000012900000 -0.000006000000  0.000002400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000118900000 -0.000062700000 -0.000032500000 -0.000015300000  0.000006000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000285700000 -0.000150900000 -0.000078200000 -0.000036700000  0.000014400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000672400000 -0.000356000000 -0.000184600000 -0.000086800000  0.000034100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001571500000 -0.000835100000 -0.000433400000 -0.000203700000  0.000080100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003693700000 -0.001972800000 -0.001025300000 -0.000482300000  0.000189500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.008762000000 -0.004715000000 -0.002454400000 -0.001154300000  0.000453900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.020886300000 -0.011360600000 -0.005931700000 -0.002794600000  0.001098300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.049093100000 -0.027170000000 -0.014241400000 -0.006707200000  0.002638700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.108640600000 -0.061740400000 -0.032602300000 -0.015410500000  0.006058500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.208323900000 -0.122959500000 -0.065518300000 -0.030966600000  0.012198200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.310924700000 -0.190758300000 -0.102948500000 -0.049001600000  0.019271300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.307673000000 -0.167464300000 -0.085436900000 -0.039631200000  0.015619700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.159751700000  0.084928600000  0.085706500000  0.045477200000 -0.018528900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.029224100000  0.452559900000  0.386965500000  0.207835900000 -0.083547500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001255700000  0.441838500000  0.358596000000  0.181146700000 -0.073062100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000211100000  0.142664200000 -0.242698800000 -0.193542100000  0.085741300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000028300000  0.010174900000 -0.658848700000 -0.572239900000  0.254461600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000067600000  0.000989500000 -0.321653700000 -0.163867800000  0.060882300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000043600000 -0.000450800000 -0.034067300000  0.653032600000 -0.416681400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000013500000  0.000098200000 -0.000537400000  0.553218100000 -0.370248000000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000007100000 -0.000056500000  0.000038400000  0.073277600000  0.412275900000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000003100000  0.000025100000  0.000019500000 -0.003842100000  0.660326000000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000800000 -0.000006200000  0.000000000000  0.000991200000  0.185222700000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      41973.40900000
      10775.38800000
       3598.15900000
       1448.83250000
        659.62817000
        324.74572000
        169.09981000
         91.28542200
         50.38071200
         27.76110400
         14.91028100
          7.94604160
          4.06530890
          2.02184660
          0.94490733
          0.36076422
          0.13243647
        445.59695e-4
  0.000070300000  0.000038900000  0.000016600000 -0.000003900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000451100000  0.000250300000  0.000107400000 -0.000025500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002422000000  0.001348300000  0.000577300000 -0.000136100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.010433500000  0.005850400000  0.002517100000 -0.000598300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.036701700000  0.020771300000  0.008924400000 -0.002104300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.103550200000  0.059674900000  0.025842000000 -0.006152300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.220839300000  0.128395800000  0.055436700000 -0.013054700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.335734300000  0.189555300000  0.081960900000 -0.019613900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.320259000000  0.125245000000  0.045279800000 -0.009999200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.157087000000 -0.169359000000 -0.105190100000  0.025246400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.029022000000 -0.467835200000 -0.269498000000  0.067872200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000967700000 -0.393924200000 -0.168106600000  0.035810300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000258300000 -0.109175100000  0.298603400000 -0.085722300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000090400000 -0.003888000000  0.566754500000 -0.182379000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000032900000 -0.000613300000  0.296756000000 -0.006962600000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000010000000  0.000293100000  0.031548000000  0.354476800000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000004100000 -0.000097300000 -0.001844700000  0.533116900000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000001200000  0.000031000000  0.000660800000  0.319839000000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       1463.71490000
        549.18563000
        258.30377000
        128.81563000
         65.07874600
         33.61700100
         17.43408900
          8.97038150
          4.46718970
          0.86679767
          2.03208360
          0.33485906
          0.10866347
 -0.000329800000  0.000087600000  0.000000000000  0.000000000000
 -0.002200100000  0.000587300000  0.000000000000  0.000000000000
 -0.010273800000  0.002742300000  0.000000000000  0.000000000000
 -0.040403700000  0.010824300000  0.000000000000  0.000000000000
 -0.120590400000  0.032390100000  0.000000000000  0.000000000000
 -0.253693200000  0.067119800000  0.000000000000  0.000000000000
 -0.359621100000  0.087419700000  0.000000000000  0.000000000000
 -0.326620300000  0.051083600000  0.000000000000  0.000000000000
 -0.156471800000 -0.105692500000  0.000000000000  0.000000000000
  0.000421300000 -0.422976900000  0.000000000000  0.000000000000
 -0.024487900000 -0.321402300000  0.000000000000  0.000000000000
 -0.000310300000 -0.343183800000  1.000000000000  0.000000000000
  0.000075300000 -0.170233500000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Pa.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.13el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
PROTACTINIUM (14s,10p,11d,9f) -> [2s,1p,1d,1f]
********************************************************************************
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on PaQR(6L)
********************************************************************************
    13.0   3
* s-type functions
   14    2
   10704093.53000000
     949628.52460000
     120570.31470000
      17808.18151000
       3387.70297400
        257.89573010
         43.98836607
         10.35328537
      24950.56782e-4
      15774.26765e-4
       5327.80906e-4
       2475.46246e-4
          0.05462613
          0.02296834
  0.000145638260 -0.000040571374
  0.000570119270 -0.000158824170
  0.002043568700 -0.000569287880
  0.006905626600 -0.001923915300
  0.017194800000 -0.004790141200
 -0.109395520000  0.030527186000
  0.350876390000 -0.098653648000
 -0.775493780000  0.223954730000
  1.040085600000 -0.335720090000
  0.280518090000 -0.082849176000
 -0.908424000000  0.398696770000
 -0.491291750000  0.367679790000
 -0.014692436000 -0.652681020000
  0.002890111800 -0.559016940000
* p-type functions
   10    1
       9007.42238300
       1688.91700800
        470.46142020
         64.33360827
         12.33205431
      29477.65816e-4
      18422.96245e-4
       5445.48601e-4
       2515.11651e-4
       1051.30823e-4
  0.002118775900
  0.011538004000
  0.031922498000
 -0.125411660000
  0.312330730000
 -0.411681800000
 -0.237872530000
  0.579707430000
  0.507291800000
  0.097614797000
* d-type functions
   11    1
        986.89365530
        279.90789870
        101.30333120
         18.24950423
      75969.47851e-4
      45985.09494e-4
      20028.96268e-4
       4421.26318e-4
       2029.70587e-4
        819.84635e-4
        295.64652e-4
 -0.001745682900
 -0.010252619000
 -0.023767480000
  0.061494226000
  0.056831501000
 -0.094416415000
 -0.147628070000
  0.180226230000
  0.335086770000
  0.438847610000
  0.301304450000
* f-type functions
    9    1
        272.28234390
         91.34433106
         36.90204385
         15.84547371
      32122.43992e-4
      14292.23521e-4
       6080.10049e-4
       2380.70078e-4
        802.66669e-4
 -0.004788953800
 -0.030025960000
 -0.086047422000
 -0.111969020000
  0.224653450000
  0.384348670000
  0.376891170000
  0.257897480000
  0.110611950000
********************************************************************************
* Core AIMP:Pa DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.7210568100e5  1.6239400100e5  5.4905705700e4  2.0208019100e4  7.8682129200e3  3.1169710600e3  1.2877229900e3  6.0047401700e2  2.2537236400e2  1.1409017000e2 23.666563700000
 15.185290300000  4.522041300000  2.485396800000  1.269078360000
  0.064174934966  0.050400421886  0.077169132021  0.111387882738  0.145175168087  0.189983801110  0.327556965552  0.406880679509  0.346026452217  1.040992179309  1.412885861824
  0.527635488580  0.798034923504  0.455691874085  0.046004234612
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  8.3397696000e3  1.5653042400e3  3.9984408000e2  1.0445872600e2 24.032560000000
        326.65313e10
        310.476820e9
48590502000.00000000
10009456000.00000000
 2496617700.00000000
  724716860.00000000
  241498670.00000000
   86685553.00000000
   30891912.00000000
   10737389.00000000
    3721407.30000000
    1313745.00000000
     479917.37000000
     184601.85000000
      75356.43500000
      32757.50900000
      15103.31800000
       7258.20670000
       3578.98710000
       1803.32470000
        924.23847000
        469.58869000
        243.08611000
        126.33580000
         70.38138500
         39.22545800
         21.17096100
         12.26719900
          6.80958440
          3.21161520
          1.63775470
          0.75934918
          0.33378608
        762.31056e-4
        306.33838e-4
  0.000001600000 -0.000000700000  0.000000300000  0.000000200000 -0.000000100000
  0.000006600000 -0.000002800000  0.000001300000  0.000000700000 -0.000000300000
  0.000019199999 -0.000007999999  0.000003900001  0.000002000000 -0.000001000000
  0.000047799998 -0.000019899999  0.000009700001  0.000005000000 -0.000002500000
  0.000105499995 -0.000043899997  0.000021400003  0.000011100001 -0.000005400000
  0.000209299991 -0.000086799994  0.000042400006  0.000021900001 -0.000010800000
  0.000381299984 -0.000157999989  0.000077100011  0.000039900002 -0.000019600000
  0.000715199969 -0.000296099979  0.000144400021  0.000074800004 -0.000036699999
  0.001414399939 -0.000585199959  0.000285400041  0.000147800007 -0.000072599998
  0.002801399879 -0.001159399919  0.000565500081  0.000292800014 -0.000143899996
  0.005416599766 -0.002245099843  0.001095400156  0.000567200027 -0.000278799993
  0.010198699559 -0.004242899704  0.002071500295  0.001072800051 -0.000527199987
  0.018512199199 -0.007754799458  0.003790600540  0.001963800093 -0.000965299976
  0.032182998608 -0.013640999047  0.006681600953  0.003462900164 -0.001701999957
  0.053742897676 -0.023204298379  0.011402301625  0.005915900280 -0.002909499927
  0.085719196293 -0.038079997340  0.018808102681  0.009766200462 -0.004800999880
  0.131311994321 -0.060841895750  0.030274804316  0.015763400746 -0.007764199806
  0.192306191683 -0.094989893365  0.047846606821  0.024954001180 -0.012271099693
  0.251625789118 -0.136164990489  0.069778409947  0.036644201733 -0.018117199547
  0.256074588926 -0.152365489357  0.079651511355  0.041840401979 -0.020543399486
  0.162594292968 -0.058868595888  0.024201403450  0.012084300572 -0.006098699848
  0.041696898197  0.240679583189 -0.194174427681 -0.114916405436  0.059059598523
  0.000381699983  0.524907463336 -0.519598274072 -0.322281715245  0.165061095873
  0.001034799955  0.334201676656 -0.376856453723 -0.258171012213  0.141244696469
 -0.000843399964  0.041137597127  0.455016664865  0.465148022004 -0.283926792901
  0.000556499976  0.010455099270  0.734541004713  0.980874646400 -0.608175384794
 -0.000405199982 -0.005818999594  0.244348534833  0.114032705394 -0.078617698034
  0.000278899988  0.003675999743 -0.000447200064 -0.948875344886  1.050349573739
 -0.000133399994 -0.001864499870  0.007222001030 -0.547656725907  0.756387581088
  0.000058499997  0.000836699942 -0.002796400399 -0.042527802012 -0.982342375439
 -0.000030399999 -0.000420899971  0.001234900176  0.002979800141 -0.679756483004
  0.000011999999  0.000168099988 -0.000500000071 -0.000982600046 -0.029476499263
 -0.000003700000 -0.000052799996  0.000161500023  0.000323300015 -0.003124599922
  0.000000900000  0.000012699999 -0.000037800005 -0.000058300003  0.000707399982
 -0.000000400000 -0.000005100000  0.000015200002  0.000023600001 -0.000296299993
   26    4
  1.3134893000e3  3.2863178000e2 80.745194000000 16.525059000000
  511555430.00000000
   72013448.00000000
   14731866.00000000
    3618831.60000000
    1031651.00000000
     328474.11000000
     114393.35000000
      43203.87600000
      17519.47800000
       7570.36450000
       3458.90580000
       1654.00490000
        825.22297000
        427.01621000
        227.43693000
        123.70313000
         68.18291800
         37.99290500
         20.96306800
         11.38252200
          6.15806680
          3.18379110
          1.62382470
          0.74761205
          0.34721579
          0.14339047
  0.000005800000 -0.000003100000 -0.000001600000 -0.000000800000
  0.000018300000 -0.000009700000 -0.000005000000 -0.000002400000
  0.000050200000 -0.000026500001 -0.000013799999 -0.000006500000
  0.000127400000 -0.000067300003 -0.000034999997 -0.000016600000
  0.000303200000 -0.000160500008 -0.000083399992 -0.000039600000
  0.000711399999 -0.000377500018 -0.000196399981 -0.000093199999
  0.001658499998 -0.000883400043 -0.000460099956 -0.000218199998
  0.003880399994 -0.002077500101 -0.001083299896 -0.000514199996
  0.009190199987 -0.004957900240 -0.002590399752 -0.001229299990
  0.021774699968 -0.011877800576 -0.006222499403 -0.002958199977
  0.050990499926 -0.028303901373 -0.014894498571 -0.007078599944
  0.112313799837 -0.064055703107 -0.033940396744 -0.016189699872
  0.213309399690 -0.126328906127 -0.067610893515 -0.032249199745
  0.314991199543 -0.193691409395 -0.104799089948 -0.050338799601
  0.303482499559 -0.161161807817 -0.081702292163 -0.038069999699
  0.151057799781  0.100404204870  0.097746790624  0.052142799587
  0.026813799961  0.458034922216  0.393558162251  0.213835798307
  0.001056099998  0.432649220985  0.349038766521  0.176651098602
 -0.000140800000  0.135155906555 -0.269527474147 -0.214569798301
 -0.000027400000  0.009550200463 -0.666698536051 -0.594424395294
 -0.000028300000  0.000596100029 -0.298530971365 -0.111567299117
  0.000024300000 -0.000310700015 -0.028219097293  0.688327794551
 -0.000005600000  0.000045500002 -0.000370099965  0.505315096000
  0.000003800000 -0.000033600002  0.000013999999  0.064825499487
 -0.000001500000  0.000014200001  0.000031599997 -0.000566099996
  0.000000400000 -0.000003600000 -0.000008799999  0.000202899998
   18    3
  2.6156256000e2 55.079286000000  7.848801000000
      38409.56300000
       9691.39740000
       3420.02900000
       1430.64560000
        658.02200000
        322.26426000
        166.57757000
         89.90229900
         50.46877000
         28.93440100
         16.20140000
          8.94183220
          4.76867370
          2.44510160
          1.19512960
          0.52559086
          0.20145363
        688.88718e-4
  0.000088499996  0.000049199995  0.000021400002
  0.000551899977  0.000307999969  0.000133900012
  0.002652799887  0.001485099853  0.000645500059
  0.010939399535  0.006170499388  0.002689500248
  0.038631998360  0.021991997818  0.009594600884
  0.110228095319  0.063933793656  0.028045302584
  0.232551190125  0.135877586516  0.059601505491
  0.337841185654  0.190520781094  0.083150007660
  0.299904587265  0.111813288904  0.039983703683
  0.148784793682 -0.152049784911 -0.097634708994
  0.033829698563 -0.428743057454 -0.250158123045
  0.001227499948 -0.408060259506 -0.202574618661
  0.000543899977 -0.142264085882  0.211447719479
 -0.000220999991 -0.011140598894  0.547010750391
  0.000089099996 -0.000394799961  0.367149633822
 -0.000033699999  0.000210799979  0.066923706165
  0.000011200000 -0.000040399996 -0.000546300050
 -0.000003600000  0.000020899998  0.000148100014
   13    1
 28.171286000000
       3250.81910000
        798.95277000
        304.43716000
        138.04992000
         67.86096800
         35.04505200
         18.38798200
          9.60487800
          4.84143910
          2.22558530
          0.97233758
          0.39388383
          0.13942158
 -0.000086099994
 -0.001338399903
 -0.009318099326
 -0.040728197054
 -0.121333191225
 -0.250724581866
 -0.352277974521
 -0.326268576402
 -0.162862188221
 -0.027009198047
  0.000402699971
 -0.000395499971
  0.000090199993
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Pa.AE.Paulovic.35s26p18d13f.7s5p4d2f.ECP.91e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        326.65313e10
        310.476820e9
48590502000.00000000
10009456000.00000000
 2496617700.00000000
  724716860.00000000
  241498670.00000000
   86685553.00000000
   30892530.00000000
   10737389.00000000
    3721407.30000000
    1313740.80000000
     479918.64000000
     184601.85000000
      75356.43500000
      32757.50900000
      15101.04200000
       7255.17100000
       3578.98710000
       1803.32470000
        924.14822000
        469.60947000
        243.08611000
        126.34241000
         70.38138500
         39.22549000
         21.17070300
         12.26726900
          6.81089620
          3.21099920
          1.63775470
          0.75934686
          0.33379423
        762.30059e-4
        305.65802e-4
  0.000001600000 -0.000000700000  0.000000300000  0.000000200000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000006600000 -0.000002800000  0.000001300000  0.000000700000 -0.000000300000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000019200000 -0.000008000000  0.000003900000  0.000002000000 -0.000001000000  0.000000400000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000047800000 -0.000019900000  0.000009700000  0.000005000000 -0.000002500000  0.000001100000 -0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000105500000 -0.000043900000  0.000021400000  0.000011100000 -0.000005400000  0.000002400000 -0.000000700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000209300000 -0.000086800000  0.000042400000  0.000021900000 -0.000010800000  0.000004700000 -0.000001300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000381300000 -0.000158000000  0.000077100000  0.000039900000 -0.000019600000  0.000008500000 -0.000002400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000715200000 -0.000296100000  0.000144400000  0.000074800000 -0.000036700000  0.000015900000 -0.000004400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001414400000 -0.000585200000  0.000285400000  0.000147800000 -0.000072600000  0.000031400000 -0.000008800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002801400000 -0.001159400000  0.000565500000  0.000292800000 -0.000143800000  0.000062200000 -0.000017300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005416600000 -0.002245200000  0.001095400000  0.000567200000 -0.000278500000  0.000120600000 -0.000033600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.010198600000 -0.004242900000  0.002071500000  0.001072700000 -0.000526700000  0.000228000000 -0.000063600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.018512300000 -0.007754900000  0.003790600000  0.001963700000 -0.000964500000  0.000417500000 -0.000116400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.032182600000 -0.013640900000  0.006681500000  0.003462600000 -0.001700500000  0.000736100000 -0.000205300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.053744200000 -0.023205100000  0.011402700000  0.005915600000 -0.002907100000  0.001258500000 -0.000350600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.085717600000 -0.038079100000  0.018807600000  0.009765200000 -0.004796700000  0.002076300000 -0.000579600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.131390100000 -0.060880200000  0.030294000000  0.015772300000 -0.007762700000  0.003362000000 -0.000935200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.192320500000 -0.094999000000  0.047851100000  0.024954500000 -0.012261200000  0.005307100000 -0.001485100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.251478500000 -0.136092500000  0.069741900000  0.036622600000 -0.018094100000  0.007845000000 -0.002174100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.256185000000 -0.152418300000  0.079676900000  0.041850200000 -0.020528700000  0.008878400000 -0.002506300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.162524300000 -0.058840700000  0.024189000000  0.012078100000 -0.006098800000  0.002668600000 -0.000676600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.041728400000  0.240654400000 -0.194160300000 -0.114901200000  0.059023800000 -0.025848500000  0.007066400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000347900000  0.524952300000 -0.519632500000 -0.322274400000  0.164886800000 -0.072007000000  0.020449500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001069900000  0.334133800000 -0.376770600000 -0.258090100000  0.141188300000 -0.062890700000  0.016763400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000876400000  0.041215600000  0.454926800000  0.465064900000 -0.283870100000  0.129785000000 -0.034645400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000583000000  0.010397900000  0.734597800000  0.980655600000 -0.607112700000  0.276807900000 -0.081278100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000425400000 -0.005776000000  0.244300800000  0.114276600000 -0.079548400000  0.043439200000 -0.005691600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000293000000  0.003647300000 -0.000422800000 -0.948563200000  1.050534900000 -0.566299600000  0.152132400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000140400000 -0.001849800000  0.007208000000 -0.548043600000  0.753686100000 -0.423045400000  0.137346600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000061500000  0.000829500000 -0.002783300000 -0.042488300000 -0.978303600000  0.817206600000 -0.274302900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000032000000 -0.000417500000  0.001230800000  0.002973600000 -0.679475800000  0.817517900000 -0.239803000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000012700000  0.000166700000 -0.000500800000 -0.000994900000 -0.031932400000 -0.623537500000  0.206114700000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000003800000 -0.000052400000  0.000160100000  0.000322400000 -0.003001500000 -0.890141100000  0.569468700000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000900000  0.000012600000 -0.000037800000 -0.000060200000  0.000637700000 -0.063441700000 -0.236716100000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000400000 -0.000005000000  0.000015200000  0.000023100000 -0.000259300000  0.014986400000 -0.934866100000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  506835310.00000000
   72578381.00000000
   14746911.00000000
    3642060.50000000
    1037173.80000000
     329579.19000000
     114591.38000000
      43243.77300000
      17521.77800000
       7567.24410000
       3454.75450000
       1652.92540000
        825.25130000
        427.30208000
        227.83027000
        123.92134000
         67.97976500
         37.75403500
         20.72661300
         11.32812200
          6.14993570
          3.22112310
          1.64110220
          0.72409970
          0.32923106
          0.13455275
  0.000005800000 -0.000003100000 -0.000001600000 -0.000000800000  0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000018200000 -0.000009600000 -0.000005000000 -0.000002400000  0.000000900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000050100000 -0.000026500000 -0.000013700000 -0.000006500000  0.000002500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000126400000 -0.000066800000 -0.000034700000 -0.000016400000  0.000006400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000302600000 -0.000160200000 -0.000083300000 -0.000039400000  0.000015200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000710500000 -0.000377000000 -0.000196100000 -0.000092900000  0.000035900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001657800000 -0.000883000000 -0.000459800000 -0.000217800000  0.000084200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003880500000 -0.002077500000 -0.001083300000 -0.000513500000  0.000198500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.009193900000 -0.004960300000 -0.002591200000 -0.001228100000  0.000475000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.021809900000 -0.011895500000 -0.006232400000 -0.002958700000  0.001143800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.051074300000 -0.028356600000 -0.014918600000 -0.007081500000  0.002740400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.112255700000 -0.064009200000 -0.033922900000 -0.016157800000  0.006248500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.213150300000 -0.126278600000 -0.067556300000 -0.032186800000  0.012472000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.314463400000 -0.193243600000 -0.104612300000 -0.050166500000  0.019406500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.303264000000 -0.161612800000 -0.081856500000 -0.038143900000  0.014781700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.151897400000  0.100610600000  0.097534700000  0.052073800000 -0.020841500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.026924200000  0.462191200000  0.398328800000  0.215910800000 -0.085426600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000921900000  0.432256600000  0.344159900000  0.173711700000 -0.068833000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000103400000  0.132134500000 -0.276793500000 -0.220646500000  0.096033700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000042700000  0.008332300000 -0.661436600000 -0.587456800000  0.257992000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000020600000  0.000964500000 -0.296025000000 -0.114959600000  0.034045300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000020200000 -0.000475100000 -0.028065300000  0.674871400000 -0.425705100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000003200000  0.000109500000 -0.000888600000  0.521085100000 -0.335505100000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000002700000 -0.000059000000  0.000152200000  0.068437100000  0.401317300000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000001100000  0.000024700000 -0.000030800000 -0.002491400000  0.655517500000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000300000 -0.000006300000  0.000010400000  0.000818900000  0.196984300000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      49343.63700000
      11055.91900000
       3634.26900000
       1473.29440000
        669.94902000
        326.37150000
        166.54151000
         87.31020900
         46.74943200
         25.02568900
         13.26410200
          7.02917170
          3.65666780
          1.83942780
          0.86717356
          0.32302620
          0.11105883
        348.58517e-4
  0.000065200000  0.000036200000  0.000015700000 -0.000003000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000480200000  0.000268000000  0.000116100000 -0.000022700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002504700000  0.001400800000  0.000605800000 -0.000117700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.010615800000  0.005990200000  0.002602700000 -0.000509000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.037801700000  0.021495200000  0.009330200000 -0.001813400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.109286200000  0.063415900000  0.027732300000 -0.005430000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.240136300000  0.140146000000  0.061152600000 -0.011882000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.362664300000  0.203962900000  0.088699800000 -0.017417900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.313433900000  0.093117400000  0.027721400000 -0.004764400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.124463100000 -0.255357500000 -0.153089400000  0.030510000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.015416100000 -0.500498900000 -0.290684400000  0.060057300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000845900000 -0.317974900000 -0.076998400000  0.009035100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000135700000 -0.064128700000  0.396590400000 -0.093284700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000069000000 -0.002287700000  0.528399800000 -0.139301600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000033000000 -0.000008500000  0.228069500000  0.035041200000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000010200000  0.000043000000  0.020472600000  0.320414200000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000004000000 -0.000007900000 -0.001051000000  0.503216900000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000001200000  0.000002600000  0.000411900000  0.400374300000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       1832.69990000
        651.70132000
        286.55518000
        137.83949000
         69.02999900
         35.40115300
         18.17258900
          9.24260260
          4.54911950
          2.04066490
          0.86408513
          0.33310525
          0.10802462
 -0.000218900000 -0.000059300000  0.000000000000  0.000000000000
 -0.001730900000 -0.000472900000  0.000000000000  0.000000000000
 -0.009524600000 -0.002595300000  0.000000000000  0.000000000000
 -0.038914200000 -0.010668100000  0.000000000000  0.000000000000
 -0.117676300000 -0.032284100000  0.000000000000  0.000000000000
 -0.254684100000 -0.069035000000  0.000000000000  0.000000000000
 -0.367513200000 -0.091091800000  0.000000000000  0.000000000000
 -0.331174200000 -0.051059800000  0.000000000000  0.000000000000
 -0.149999400000  0.121644200000  0.000000000000  0.000000000000
 -0.020592000000  0.340791200000  0.000000000000  0.000000000000
  0.000368500000  0.416531900000  0.000000000000  0.000000000000
 -0.000271500000  0.327386900000  1.000000000000  0.000000000000
  0.000052000000  0.164432400000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/U.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.14el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
URANIUM (14s,10p,11d,9f) -> [2s,1p,1d,1f]
********************************************************************************
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on UQR(5L)
********************************************************************************
    14.0   3
* s-type functions
   14    2
   10753175.48000000
     957211.35420000
     120564.15010000
      18170.23399000
       3514.60401100
        267.27624210
         45.30726823
         10.73471496
      26193.07852e-4
      17247.10296e-4
       5715.59366e-4
       2721.45145e-4
        665.06585e-4
          0.02833445
  0.000159755010 -0.000047447460
  0.000625831660 -0.000185876280
  0.002212106600 -0.000656994930
  0.007233470600 -0.002148576600
  0.017701553000 -0.005257409300
 -0.113183980000  0.033678035000
  0.366074520000 -0.109823890000
 -0.813610890000  0.251184970000
  1.086787200000 -0.372989350000
  0.280170890000 -0.100332490000
 -0.931267590000  0.480078020000
 -0.479898400000  0.353922220000
 -0.012550256000 -0.646114060000
  0.002455728600 -0.583327040000
* p-type functions
   10    1
       9158.96356300
       1730.00782800
        485.06931800
         66.05995170
         12.79607058
      31457.95467e-4
      21377.39283e-4
       5639.43951e-4
       2648.14828e-4
       1117.61496e-4
  0.002285492100
  0.012182654000
  0.033487551000
 -0.132647800000
  0.329850420000
 -0.372155530000
 -0.295428020000
  0.623713680000
  0.469206510000
  0.084428038000
* d-type functions
   11    1
       1018.01250800
        288.88905850
        104.81440720
         18.65844179
      79544.48163e-4
      46350.30651e-4
          2.16284996
       4678.30391e-4
       2175.88056e-4
        990.28542e-4
        411.35859e-4
 -0.002522271200
 -0.014741919000
 -0.034368426000
  0.091339108000
  0.070248104000
 -0.128707710000
 -0.206417330000
  0.311123560000
  0.421983570000
  0.345801950000
  0.117233180000
* f-type functions
    9    1
        283.57757290
         95.48665527
         38.66336178
         16.59759401
      35179.43688e-4
      16728.28028e-4
       7759.15956e-4
       3390.11453e-4
       1305.67859e-4
 -0.005260646400
 -0.033009025000
 -0.095741287000
 -0.125887110000
  0.227448100000
  0.375452330000
  0.364393520000
  0.238481460000
  0.085617359000
********************************************************************************
* Core AIMP:U DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.7742704000e5  1.2334002600e5  3.8021171200e4  1.2972164400e4  4.6306366000e3  1.6880253100e3  7.1148887100e2  2.6336624600e2  1.2000840200e2 25.045438500000 16.999393200000
  4.841588890000  2.713857300000  1.386673580000
  0.067618192636  0.059698654177  0.092821930109  0.132213868981  0.172269392974  0.283590933227  0.426364365093  0.312994221547  1.011911661042  1.180816737918  0.612855024648
  0.710532579154  0.456323258801  0.051417751123
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  8.5640148000e3  1.6138550800e3  4.1371210000e2  1.0879542200e2 25.212790000000
        326.65313e10
        310.476820e9
48590502000.00000000
10009456000.00000000
 2496617700.00000000
  724716860.00000000
  241498670.00000000
   86685553.00000000
   30894257.00000000
   10739020.00000000
    3724315.80000000
    1313745.00000000
     479916.48000000
     184600.81000000
      75352.57900000
      32757.50900000
      15104.66900000
       7259.62440000
       3578.98710000
       1803.32470000
        924.24987000
        469.58869000
        243.08611000
        126.33426000
         70.37107600
         39.22545800
         21.17096100
         12.26663700
          6.80875330
          3.21271310
          1.63775470
          0.75935845
          0.33392057
        762.45555e-4
        306.35202e-4
  0.000001800000 -0.000000800000  0.000000400000  0.000000200000 -0.000000100000
  0.000007200000 -0.000003000000  0.000001500000  0.000000800000 -0.000000400000
  0.000020800000 -0.000008800000  0.000004300000  0.000002200000 -0.000001100000
  0.000051500000 -0.000021600000  0.000010600000  0.000005500000 -0.000002700000
  0.000113400000 -0.000047400000  0.000023199999  0.000012000000 -0.000006000000
  0.000223999999 -0.000093500001  0.000045699999  0.000023700001 -0.000011700000
  0.000407099999 -0.000169600002  0.000082899998  0.000043000001 -0.000021299999
  0.000760599998 -0.000316700003  0.000154599995  0.000080300002 -0.000039699998
  0.001500299996 -0.000624200006  0.000304799991  0.000158200005 -0.000078299997
  0.002957999992 -0.001231000011  0.000601199982  0.000312100009 -0.000154399993
  0.005702899985 -0.002377100021  0.001161299966  0.000602800017 -0.000298299987
  0.010706699972 -0.004479400040  0.002189799936  0.001136900032 -0.000562499976
  0.019343699949 -0.008149600072  0.003988899884  0.002071700059 -0.001025299957
  0.033502699911 -0.014284200127  0.007006299796  0.003640300104 -0.001801299924
  0.055681099852 -0.024189100215  0.011903399653  0.006191400176 -0.003065899870
  0.088354099765 -0.039507100351  0.019542699431  0.010173400290 -0.005034799787
  0.134478199642 -0.062742200557  0.031272199089  0.016325100465 -0.008097599658
  0.195448099480 -0.097252100864  0.049071798570  0.025659100731 -0.012699299463
  0.252929399327 -0.137759401224  0.070720397940  0.037239801060 -0.018551699216
  0.252976799327 -0.150260901335  0.078521797712  0.041320301177 -0.020388399138
  0.156291899584 -0.048166300428  0.017266199497  0.008257100235 -0.004284099819
  0.038188199898  0.258977702301 -0.210480393868 -0.125166403564  0.064946197255
  0.000266499999  0.526313904676 -0.528038984616 -0.329531009383  0.169798792825
  0.000883899998  0.316986602816 -0.346680789900 -0.238454806790  0.132869594385
 -0.000714699998  0.034894300310  0.497168985516  0.516868714718 -0.320874586440
  0.000461099999  0.009628800086  0.716336579131  0.970314827630 -0.603837474483
 -0.000332499999 -0.005489800049  0.220309093582  0.035140701001 -0.029477298754
  0.000229099999  0.003435400031 -0.001625699953 -0.967265027543  1.131412952189
 -0.000109200000 -0.001732700015  0.006353899815 -0.499642214227  0.649287072562
  0.000047600000  0.000778200007 -0.002500899927 -0.033044500941 -1.057940855293
 -0.000024800000 -0.000390700003  0.001091999968  0.001686300048 -0.602951374520
  0.000009800000  0.000155700001 -0.000439199987 -0.000517300015 -0.022412099053
 -0.000003000000 -0.000048900000  0.000142299996  0.000186200005 -0.002448799897
  0.000000700000  0.000011700000 -0.000033199999 -0.000028100001  0.000505499979
 -0.000000300000 -0.000004700000  0.000013400000  0.000011500000 -0.000210699991
   26    4
  1.3495941200e3  3.3921860000e2 84.006566000000 17.325153000000
  504215120.00000000
   71035224.00000000
   14357392.00000000
    3546683.70000000
    1012798.10000000
     323735.93000000
     113353.58000000
      43002.22400000
      17519.17700000
       7585.49760000
       3460.44100000
       1654.10250000
        824.44285000
        426.36572000
        227.38444000
        123.91382000
         68.44653200
         38.28682800
         21.20349000
         11.72114100
          6.43601070
          3.42486310
          1.77014630
          0.79569853
          0.36927144
          0.15190133
  0.000006200000 -0.000003300000 -0.000001700000 -0.000000800000
  0.000019800000 -0.000010499999 -0.000005400000 -0.000002600000
  0.000054299999 -0.000028699998 -0.000015000000 -0.000007200000
  0.000136399998 -0.000072199995 -0.000037700000 -0.000018000000
  0.000324899995 -0.000172299988 -0.000089900000 -0.000043000000
  0.000756199988 -0.000402099973 -0.000209900000 -0.000100399999
  0.001752999972 -0.000935899936 -0.000489000001 -0.000233799999
  0.004076899934 -0.002187899851 -0.001144800002 -0.000547699997
  0.009581099845 -0.005182299648 -0.002716600005 -0.001299899992
  0.022704899632 -0.012417699156 -0.006528700012 -0.003128299980
  0.053062799140 -0.029549097992 -0.015602900028 -0.007478199953
  0.116090398118 -0.066422295487 -0.035331500063 -0.016985099892
  0.219002496450 -0.130207291153 -0.069932800124 -0.033651099787
  0.317863094847 -0.195671186704 -0.106261000188 -0.051411399674
  0.298247895165 -0.154503789502 -0.077380400137 -0.036272199770
  0.143706697670  0.116865892059  0.109957200195  0.059284199624
  0.024238799607  0.465309468383  0.404009600716  0.221282098598
  0.000984199984  0.420025771460  0.330233300586  0.167408298940
 -0.000195099997  0.127790591317 -0.281218400499 -0.227233398561
  0.000011700000  0.008277099438 -0.652974901158 -0.588338396273
 -0.000050899999  0.000987099933 -0.298628300530 -0.125661399204
  0.000036099999 -0.000491499967 -0.030662800054  0.659395495823
 -0.000010100000  0.000112699992 -0.000964600002  0.537949196593
  0.000005500000 -0.000061099996  0.000141700000  0.077260599511
 -0.000002200000  0.000025399998 -0.000021000000 -0.003005999981
  0.000000600000 -0.000006400000  0.000004600000  0.000807699995
   18    3
  2.7007950000e2 57.532312000000  8.310205000000
      37660.81100000
       9616.73440000
       3410.78840000
       1433.59110000
        658.07391000
        322.17142000
        166.58431000
         89.83058500
         50.47938500
         29.00461600
         16.23755600
          8.95285330
          4.76708240
          2.45011160
          1.19625580
          0.51833885
          0.20134803
        693.24681e-4
  0.000095900003  0.000053599998  0.000023500001
  0.000590100019  0.000331099987  0.000145700008
  0.002796300091  0.001574199939  0.000692400037
  0.011471500372  0.006505199748  0.002870100155
  0.040568401316  0.023231599099  0.010258500555
  0.114490803714  0.066793397411  0.029665001605
  0.239094607757  0.140409494557  0.062324503373
  0.341487311078  0.192566092535  0.084975604598
  0.293379009518  0.102793796015  0.035297301910
  0.141485604590 -0.167272193515 -0.107115305796
  0.030740100997 -0.439576982959 -0.261401414145
  0.001002000033 -0.397190984602 -0.189854610273
  0.000459600015 -0.128575795016  0.246342113330
 -0.000195300006 -0.008702399663  0.552190929880
  0.000072800002 -0.000450199983  0.341523318481
 -0.000028800001  0.000215099992  0.055713503015
  0.000009300000 -0.000050999998 -0.000950300051
 -0.000003200000  0.000021899999  0.000211800011
   13    1
 29.960168000000
       2162.64490000
        723.34376000
        307.01713000
        146.99654000
         74.89495200
         39.60656000
         21.05759200
         11.05389400
          5.62869620
          2.68059450
          1.19798140
          0.49108127
          0.17513845
 -0.000169599997
 -0.001553599976
 -0.009000399858
 -0.036356099428
 -0.105695998337
 -0.225991396444
 -0.340516594643
 -0.342528794611
 -0.188389097036
 -0.038400499396
 -0.000453399993
 -0.000370299994
  0.000077499999
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   U.AE.Paulovic.35s26p18d13f.7s5p4d2f.ECP.92e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        326.65313e10
        310.476820e9
48590502000.00000000
10009456000.00000000
 2496617700.00000000
  724716860.00000000
  241498670.00000000
   86685553.00000000
   30894257.00000000
   10739020.00000000
    3724315.80000000
    1313745.00000000
     479916.48000000
     184600.81000000
      75352.57900000
      32757.50900000
      15104.66900000
       7259.62440000
       3578.98710000
       1803.32470000
        924.24987000
        469.58869000
        243.08611000
        126.33426000
         70.37107600
         39.22545800
         21.17096100
         12.26663700
          6.80875330
          3.21271310
          1.63775470
          0.75935845
          0.33392057
        762.45555e-4
        306.35202e-4
  0.000001800000 -0.000000800000  0.000000400000  0.000000200000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000007200000 -0.000003000000  0.000001500000  0.000000800000 -0.000000400000  0.000000200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000020800000 -0.000008800000  0.000004300000  0.000002200000 -0.000001100000  0.000000500000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000051500000 -0.000021600000  0.000010600000  0.000005500000 -0.000002700000  0.000001200000 -0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000113400000 -0.000047400000  0.000023200000  0.000012000000 -0.000006000000  0.000002600000 -0.000000800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000224000000 -0.000093500000  0.000045700000  0.000023700000 -0.000011700000  0.000005200000 -0.000001500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000407100000 -0.000169600000  0.000082900000  0.000043000000 -0.000021300000  0.000009400000 -0.000002800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000760600000 -0.000316700000  0.000154600000  0.000080300000 -0.000039700000  0.000017600000 -0.000005200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001500300000 -0.000624200000  0.000304800000  0.000158200000 -0.000078300000  0.000034600000 -0.000010300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002958000000 -0.001231000000  0.000601200000  0.000312100000 -0.000154400000  0.000068300000 -0.000020300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005702900000 -0.002377100000  0.001161300000  0.000602800000 -0.000298300000  0.000131900000 -0.000039200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.010706700000 -0.004479400000  0.002189800000  0.001136900000 -0.000562500000  0.000248700000 -0.000074000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.019343700000 -0.008149600000  0.003988900000  0.002071700000 -0.001025300000  0.000453400000 -0.000134900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.033502700000 -0.014284200000  0.007006300000  0.003640300000 -0.001801300000  0.000796400000 -0.000237000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.055681100000 -0.024189100000  0.011903400000  0.006191400000 -0.003065900000  0.001355900000 -0.000403200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.088354100000 -0.039507100000  0.019542700000  0.010173400000 -0.005034800000  0.002225900000 -0.000662600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.134478200000 -0.062742200000  0.031272200000  0.016325100000 -0.008097600000  0.003583300000 -0.001064900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.195448100000 -0.097252100000  0.049071800000  0.025659200000 -0.012699300000  0.005612800000 -0.001672900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.252929400000 -0.137759500000  0.070720400000  0.037239900000 -0.018551800000  0.008222000000 -0.002439500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.252976800000 -0.150260800000  0.078521800000  0.041320300000 -0.020388400000  0.008993800000 -0.002691600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.156291800000 -0.048166400000  0.017266300000  0.008257100000 -0.004284200000  0.001948700000 -0.000546700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.038188200000  0.258977800000 -0.210480600000 -0.125166800000  0.064946300000 -0.029122200000  0.008607300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000266500000  0.526313500000 -0.528038800000 -0.329531500000  0.169798600000 -0.075645000000  0.022702300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000883900000  0.316986800000 -0.346681300000 -0.238454700000  0.132871000000 -0.060916600000  0.017826400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000714700000  0.034894000000  0.497169600000  0.516869600000 -0.320876900000  0.150823900000 -0.044459300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000461200000  0.009629400000  0.716335100000  0.970316000000 -0.603833900000  0.280435800000 -0.085732100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000332600000 -0.005489900000  0.220309700000  0.035138600000 -0.029482900000  0.023023700000 -0.004230300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000229300000  0.003435600000 -0.001625900000 -0.967264000000  1.131419400000 -0.635283000000  0.191394100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000109300000 -0.001732800000  0.006354600000 -0.499641800000  0.649282400000 -0.364138100000  0.119797500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000047700000  0.000778300000 -0.002500600000 -0.033044800000 -1.057942600000  0.922072100000 -0.317956500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000024800000 -0.000390600000  0.001092500000  0.001687000000 -0.602941200000  0.773035100000 -0.267836000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000009800000  0.000155900000 -0.000439900000 -0.000517300000 -0.022422600000 -0.789218300000  0.338783600000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000003000000 -0.000048900000  0.000141800000  0.000184400000 -0.002446900000 -0.788502100000  0.556314300000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000800000  0.000011700000 -0.000033100000 -0.000026000000  0.000505400000 -0.033585100000 -0.510458700000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000300000 -0.000004700000  0.000014200000  0.000010700000 -0.000205100000  0.007621900000 -0.717579800000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  504215120.00000000
   71035224.00000000
   14357392.00000000
    3546683.70000000
    1012798.10000000
     323735.93000000
     113353.58000000
      43002.22400000
      17519.17700000
       7585.49760000
       3460.44100000
       1654.10250000
        824.44285000
        426.36572000
        227.38444000
        123.91382000
         68.44653200
         38.28682800
         21.20349000
         11.72114100
          6.43601070
          3.42486310
          1.77014630
          0.79569853
          0.36927144
          0.15190133
  0.000006200000 -0.000003300000 -0.000001700000 -0.000000800000  0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000019800000 -0.000010500000 -0.000005400000 -0.000002600000  0.000001000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000054300000 -0.000028700000 -0.000015000000 -0.000007200000  0.000002800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000136400000 -0.000072200000 -0.000037700000 -0.000018000000  0.000007200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000324900000 -0.000172300000 -0.000089900000 -0.000043000000  0.000017100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000756200000 -0.000402100000 -0.000209900000 -0.000100400000  0.000039900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001753000000 -0.000935900000 -0.000489000000 -0.000233800000  0.000092900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004076900000 -0.002187900000 -0.001144800000 -0.000547700000  0.000217700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.009581100000 -0.005182300000 -0.002716600000 -0.001299900000  0.000516800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.022704900000 -0.012417700000 -0.006528700000 -0.003128300000  0.001243300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.053062800000 -0.029549100000 -0.015602900000 -0.007478200000  0.002975000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.116090400000 -0.066422300000 -0.035331500000 -0.016985100000  0.006753600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.219002500000 -0.130207300000 -0.069932800000 -0.033651100000  0.013404500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.317863100000 -0.195671200000 -0.106261000000 -0.051411400000  0.020450500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.298247900000 -0.154503800000 -0.077380400000 -0.036272200000  0.014432300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.143706700000  0.116865900000  0.109957200000  0.059284200000 -0.024363200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.024238800000  0.465309500000  0.404009600000  0.221282100000 -0.090138300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000984200000  0.420025800000  0.330233300000  0.167408300000 -0.068103800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000195100000  0.127790600000 -0.281218400000 -0.227233300000  0.101882800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000011700000  0.008277100000 -0.652974800000 -0.588338400000  0.267111500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000050900000  0.000987100000 -0.298628300000 -0.125661200000  0.039561100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000036100000 -0.000491500000 -0.030662800000  0.659395200000 -0.430705800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000010100000  0.000112700000 -0.000964500000  0.537949200000 -0.364556600000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000005500000 -0.000061100000  0.000141700000  0.077260900000  0.389052800000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000002200000  0.000025400000 -0.000021000000 -0.003006100000  0.669831900000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000600000 -0.000006400000  0.000004600000  0.000807700000  0.203200200000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      37660.81100000
       9616.73440000
       3410.78840000
       1433.59110000
        658.07391000
        322.17142000
        166.58431000
         89.83058500
         50.47938500
         29.00461600
         16.23755600
          8.95285330
          4.76708240
          2.45011160
          1.19625580
          0.51833885
          0.20134803
        693.24681e-4
  0.000095900000  0.000053600000  0.000023500000 -0.000006500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000590100000  0.000331100000  0.000145700000 -0.000040100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002796300000  0.001574200000  0.000692400000 -0.000190400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.011471500000  0.006505200000  0.002870100000 -0.000790400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.040568400000  0.023231600000  0.010258500000 -0.002823200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.114490800000  0.066793400000  0.029665000000 -0.008177700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.239094600000  0.140409500000  0.062324500000 -0.017162000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.341487300000  0.192566100000  0.084975600000 -0.023419300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.293379000000  0.102793800000  0.035297300000 -0.009192200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.141485600000 -0.167272200000 -0.107115300000  0.030851800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.030740100000 -0.439577000000 -0.261401400000  0.075483000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001002000000 -0.397191000000 -0.189854600000  0.050946000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000459600000 -0.128575800000  0.246342000000 -0.089062600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000195300000 -0.008702400000  0.552190700000 -0.201553900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000072800000 -0.000450200000  0.341523600000 -0.064652900000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000028800000  0.000215100000  0.055713600000  0.315348800000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000009300000 -0.000051000000 -0.000950300000  0.554728900000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000003200000  0.000021900000  0.000211800000  0.342461600000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2162.64490000
        723.34376000
        307.01713000
        146.99654000
         74.89495200
         39.60656000
         21.05759200
         11.05389400
          5.62869620
          2.68059450
          1.19798140
          0.49108127
          0.17513845
 -0.000169600000 -0.000051400000  0.000000000000  0.000000000000
 -0.001553600000 -0.000471000000  0.000000000000  0.000000000000
 -0.009000400000 -0.002738900000  0.000000000000  0.000000000000
 -0.036356000000 -0.011079100000  0.000000000000  0.000000000000
 -0.105696000000 -0.032362800000  0.000000000000  0.000000000000
 -0.225991400000 -0.068410600000  0.000000000000  0.000000000000
 -0.340516600000 -0.096142800000  0.000000000000  0.000000000000
 -0.342528800000 -0.071643900000  0.000000000000  0.000000000000
 -0.188389100000  0.079403400000  0.000000000000  0.000000000000
 -0.038400500000  0.308807500000  0.000000000000  0.000000000000
 -0.000453400000  0.429580900000  0.000000000000  0.000000000000
 -0.000370300000  0.344826900000  1.000000000000  0.000000000000
  0.000077500000  0.149459200000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Np.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.15el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
NEPTUNIUM (14s,10p,11d,9f) -> [2s,1p,1d,1f]
********************************************************************************
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on NpQR(6L)
********************************************************************************
    15.0   3
* s-type functions
   14    2
   10736360.47000000
     893675.75240000
     120509.70270000
      18633.55697000
       3644.35793700
        277.04621360
         46.38821635
         11.22663295
      27232.37007e-4
      17293.70168e-4
          0.59102995
          0.28375284
        672.70531e-4
        272.84514e-4
  0.000176174030 -0.000051521545
  0.000683631080 -0.000199929680
  0.002278805400 -0.000666424950
  0.007356765000 -0.002151700000
  0.017725971000 -0.005183915500
 -0.113692890000  0.033311913000
  0.374723800000 -0.110721890000
 -0.827229460000  0.251512190000
  1.140926900000 -0.386841250000
  0.227542990000 -0.077795802000
 -0.944137270000  0.473489930000
 -0.461430500000  0.345250850000
 -0.015648264000 -0.685743570000
  0.003842258100 -0.542942490000
* p-type functions
   10    1
       9590.36302700
       1813.85531600
        503.51359930
         67.99882252
         13.17770521
      34901.39097e-4
      23526.12581e-4
       5828.55009e-4
       2698.77324e-4
       1170.67092e-4
  0.002286844900
  0.012133336000
  0.033954104000
 -0.133901770000
  0.336342830000
 -0.292818930000
 -0.377219110000
  0.638359480000
  0.455411250000
  0.081660234000
* d-type functions
   11    1
       1095.32464600
        300.49305750
        106.85568110
         19.81672128
      88642.77911e-4
      49742.11652e-4
      22767.10073e-4
          0.49997768
       2232.84512e-4
       1013.75693e-4
        444.99749e-4
 -0.002439662500
 -0.015199051000
 -0.035439883000
  0.087387721000
  0.075681465000
 -0.123849080000
 -0.214050500000
  0.310709540000
  0.445389690000
  0.319723150000
  0.123117870000
* f-type functions
    9    1
        298.82251860
         99.68884945
         40.36847424
         17.38858161
      36919.43462e-4
      17701.43833e-4
       8388.96441e-4
       3715.81763e-4
       1438.16154e-4
 -0.005324828300
 -0.034100295000
 -0.099413665000
 -0.131525450000
  0.240577630000
  0.377834670000
  0.355704900000
  0.228797510000
  0.075976821000
********************************************************************************
* Core AIMP:Np DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.9291003000e5  1.7116792700e5  5.8915753400e4  2.1982984100e4  8.5923280200e3  3.3931126800e3  1.3938514700e3  6.4652562700e2  2.4385798200e2  1.2191738600e2 25.067918300000
 16.211479000000  4.854374290000  2.672808300000  1.363604310000
  0.056649905564  0.043436628709  0.065770522257  0.094786146464  0.124759143664  0.164114805249  0.281728447088  0.355956331902  0.294490937469  0.911936528656  1.274423729733
  0.405253743324  0.719271869725  0.373479207057  0.033942053140
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  8.7928658000e3  1.6636073200e3  4.2791858000e2  1.1322771800e2 26.406360000000
        328.70111e10
        309.271640e9
48590502000.00000000
 9951957400.00000000
 2475550800.00000000
  722455650.00000000
  241498670.00000000
   86617857.00000000
   30900291.00000000
   10755812.00000000
    3724315.80000000
    1313674.80000000
     479904.76000000
     184555.74000000
      75318.55800000
      32758.74300000
      15113.13700000
       7261.04250000
       3578.27330000
       1803.32470000
        925.20936000
        469.33040000
        242.99117000
        126.21942000
         70.35915800
         39.22617600
         21.23627600
         12.26614700
          6.78654390
          3.22300290
          1.61850170
          0.75946583
          0.33411628
        761.94384e-4
        305.11841e-4
  0.000002000000 -0.000000800000  0.000000400000  0.000000200000 -0.000000100000
  0.000007799999 -0.000003300000  0.000001600000  0.000000800000 -0.000000400000
  0.000022599998 -0.000009600001  0.000004700000  0.000002400000 -0.000001200000
  0.000056099996 -0.000023700003  0.000011600000  0.000006000000 -0.000003000000
  0.000122399990 -0.000051500007  0.000025199999  0.000013100001 -0.000006500000
  0.000239299981 -0.000100400013  0.000049099998  0.000025600002 -0.000012700000
  0.000434399966 -0.000182100024  0.000088999996  0.000046300003 -0.000023100000
  0.000810399936 -0.000339300045  0.000165899993  0.000086300006 -0.000043000000
  0.001587199875 -0.000664200088  0.000324799987  0.000169000011 -0.000084100000
  0.003125399755 -0.001308100173  0.000639699975  0.000332800022 -0.000165700000
  0.006011699528 -0.002520000334  0.001232699951  0.000641400043 -0.000319400000
  0.011229199118 -0.004724900626  0.002312799908  0.001203600080 -0.000599300000
  0.020218098413 -0.008567301135  0.004198799833  0.002186000146 -0.001088700001
  0.034877497262 -0.014959201981  0.007347299708  0.003826800256 -0.001905600001
  0.057686595471 -0.025215503339  0.012425899506  0.006478900433 -0.003228800002
  0.090941692860 -0.040933005421  0.020278399195  0.010582600707 -0.005270400003
  0.137638789194 -0.064656308563  0.032277598718  0.016891901129 -0.008432900005
  0.198641584405 -0.099573513187  0.050330498001  0.026384401764 -0.013139800008
  0.254056680055 -0.139191518433  0.071568297157  0.037782202525 -0.018948300012
  0.249432580418 -0.147769919570  0.077167596935  0.040677202719 -0.020176900013
  0.150016688223 -0.036837504878  0.009816199610  0.004095700274 -0.002229500001
  0.035188797237  0.277186636708 -0.227156390978 -0.135722409072  0.070954400045
 -0.000025099998  0.526469769722 -0.535182878744 -0.336087122464  0.174383300111
  0.000909699929  0.299674139687 -0.314239187519 -0.216356714461  0.122392900078
 -0.000740099942  0.028877603824  0.537772378641  0.568440337994 -0.357271600228
  0.000483299962  0.009108801206  0.694550472414  0.953851663755 -0.597341000382
 -0.000345699973 -0.005283600700  0.197833792142 -0.043347502897  0.026559900017
  0.000235799981  0.003243000429 -0.001510199940 -0.981795365623  1.203493000769
 -0.000113099991 -0.001629300216  0.005279799790 -0.451489730177  0.540219500345
  0.000049299996  0.000730900097 -0.002125999916 -0.024051801608 -1.129907900722
 -0.000025399998 -0.000364000048  0.000905899964  0.000125000008 -0.529210800338
  0.000010399999  0.000149300020 -0.000373599985  0.000027100002 -0.011808800008
 -0.000003200000 -0.000046500006  0.000120499995  0.000024800002 -0.003062500002
  0.000000800000  0.000011100001 -0.000027799999  0.000008100001  0.000594400000
 -0.000000300000 -0.000004400001  0.000011200000 -0.000003100000 -0.000241200000
   26    4
  1.3862779200e3  3.4998422000e2 87.312924000000 18.123989000000
  504340890.00000000
   71015026.00000000
   14335463.00000000
    3539746.40000000
    1010819.60000000
     323284.15000000
     113257.89000000
      42991.89000000
      17520.48300000
       7586.65450000
       3460.61880000
       1654.02200000
        824.30639000
        426.36146000
        227.35434000
        123.76895000
         68.50478600
         38.30441400
         21.15480100
         11.73153800
          6.44300420
          3.44469680
          1.78524880
          0.80135881
          0.37018595
          0.15187785
  0.000006600001 -0.000003500000 -0.000001800000 -0.000000900000
  0.000021000002 -0.000011100001 -0.000005800000 -0.000002800000
  0.000057700005 -0.000030600002 -0.000016000000 -0.000007700000
  0.000144600013 -0.000076700006 -0.000040099999 -0.000019300001
  0.000343800030 -0.000182700014 -0.000095599999 -0.000046100002
  0.000798300071 -0.000425400034 -0.000222799997 -0.000107300005
  0.001845800163 -0.000987600078 -0.000517799993 -0.000249400011
  0.004280700378 -0.002302800181 -0.001208799984 -0.000582700026
  0.010031400887 -0.005439400429 -0.002860899963 -0.001379200062
  0.023694502094 -0.012994901024 -0.006855299912 -0.003309000150
  0.055141904874 -0.030799802426 -0.016320099789 -0.007881800357
  0.119899710598 -0.068837105423 -0.036747999526 -0.017796700806
  0.224102719809 -0.133695010533 -0.072071699070 -0.034952801582
  0.320395328320 -0.197497415559 -0.107575598612 -0.052413902373
  0.293960225983 -0.147608811629 -0.072895599059 -0.034267301551
  0.136426012059  0.134610410605  0.123791798402  0.067278603046
  0.021368301889  0.474379637372  0.415317694640  0.229386910385
  0.001024700091  0.408001332143  0.310477495993  0.156426407082
 -0.000318500028  0.116909709210 -0.316504495915 -0.257041211637
  0.000090600008  0.006439000507 -0.649569291617 -0.597584727054
 -0.000091800008  0.001030900081 -0.274976496451 -0.074740303384
  0.000058500005 -0.000537700042 -0.025390999672  0.684211930976
 -0.000020400002  0.000132900010 -0.001061099986  0.505178822871
  0.000009400001 -0.000066000005  0.000204899997  0.066814203025
 -0.000003800000  0.000027200002 -0.000047799999 -0.002579200117
  0.000001000000 -0.000006800001  0.000010500000  0.000670300030
   18    3
  2.7871294000e2 60.008976000000  8.767590000000
      34958.74700000
       9426.94140000
       3427.04950000
       1435.09930000
        657.85675000
        322.21595000
        166.44430000
         89.72105100
         50.48127500
         29.09664400
         16.28743700
          8.97942270
          4.77237150
          2.45230650
          1.19631550
          0.51692597
          0.20259593
        704.03108e-4
  0.000110500000  0.000062100001  0.000027600000
  0.000620299999  0.000349700005  0.000155600000
  0.002917799996  0.001651600024  0.000734500002
  0.012115299985  0.006905000100  0.003079800009
  0.042438599946  0.024447400355  0.010915500031
  0.118961699850  0.069780101015  0.031336100088
  0.245998999689  0.145203002111  0.065160400182
  0.344366899565  0.193893602819  0.086345600242
  0.286559999638  0.093524001360  0.030377700085
  0.134171799831 -0.182296502651 -0.116685800327
  0.028161399964 -0.448715306525 -0.271393400760
  0.000711699999 -0.385684205608 -0.175627200492
  0.000443599999 -0.116547201695  0.280469200785
 -0.000202100000 -0.006692400097  0.554481601552
  0.000072300000 -0.000518500008  0.315039100882
 -0.000030000000  0.000226400003  0.046819000131
  0.000009500000 -0.000063300001 -0.000799000002
 -0.000003400000  0.000023000000  0.000189500001
   13    1
 31.766720000000
       2157.78170000
        724.22846000
        306.90467000
        146.96749000
         74.90241900
         39.63420500
         21.08559700
         11.08332500
          5.63946290
          2.67059220
          1.20817200
          0.50721115
          0.18654913
 -0.000183300016
 -0.001671500148
 -0.009668700857
 -0.038638403425
 -0.111193109855
 -0.233784920721
 -0.345237630599
 -0.337525229915
 -0.176335215629
 -0.032365502869
 -0.000123000011
 -0.000371900033
  0.000075600007
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Np.AE.Paulovic.35s26p18d13f.7s5p4d2f.ECP.93e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        328.70111e10
        309.271640e9
48590502000.00000000
 9951957400.00000000
 2475550800.00000000
  722455650.00000000
  241498670.00000000
   86617857.00000000
   30900291.00000000
   10755812.00000000
    3724315.80000000
    1313674.80000000
     479904.76000000
     184555.74000000
      75318.55800000
      32758.74300000
      15113.13700000
       7261.04250000
       3578.27330000
       1803.32470000
        925.20936000
        469.33040000
        242.99117000
        126.21942000
         70.35915800
         39.22617600
         21.23627600
         12.26614700
          6.78654390
          3.22300290
          1.61850170
          0.75946583
          0.33411628
        761.94384e-4
        305.11841e-4
  0.000002000000 -0.000000800000  0.000000400000  0.000000200000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000007800000 -0.000003300000  0.000001600000  0.000000800000 -0.000000400000  0.000000200000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000022600000 -0.000009600000  0.000004700000  0.000002400000 -0.000001200000  0.000000500000 -0.000000200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000056100000 -0.000023700000  0.000011600000  0.000006000000 -0.000003000000  0.000001300000 -0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000122400000 -0.000051500000  0.000025200000  0.000013100000 -0.000006500000  0.000002900000 -0.000000800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000239300000 -0.000100400000  0.000049100000  0.000025600000 -0.000012700000  0.000005600000 -0.000001700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000434400000 -0.000182100000  0.000089000000  0.000046300000 -0.000023100000  0.000010200000 -0.000003000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000810400000 -0.000339300000  0.000165900000  0.000086300000 -0.000043000000  0.000019100000 -0.000005600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001587200000 -0.000664200000  0.000324800000  0.000169000000 -0.000084100000  0.000037300000 -0.000010900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003125400000 -0.001308100000  0.000639700000  0.000332800000 -0.000165700000  0.000073500000 -0.000021500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006011700000 -0.002520000000  0.001232700000  0.000641400000 -0.000319400000  0.000141700000 -0.000041500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.011229200000 -0.004724900000  0.002312800000  0.001203600000 -0.000599300000  0.000265800000 -0.000077800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.020218100000 -0.008567300000  0.004198900000  0.002186000000 -0.001088700000  0.000482900000 -0.000141300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.034877500000 -0.014959200000  0.007347300000  0.003826700000 -0.001905600000  0.000845100000 -0.000247400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.057686600000 -0.025215500000  0.012425900000  0.006478900000 -0.003228800000  0.001432200000 -0.000419100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.090941700000 -0.040933000000  0.020278400000  0.010582500000 -0.005270500000  0.002337500000 -0.000684600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.137638800000 -0.064656200000  0.032277600000  0.016891800000 -0.008432900000  0.003742500000 -0.001094500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.198641600000 -0.099573500000  0.050330600000  0.026384300000 -0.013139900000  0.005827200000 -0.001708500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.254056700000 -0.139191500000  0.071568400000  0.037782100000 -0.018948500000  0.008419600000 -0.002459100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.249432700000 -0.147769800000  0.077167600000  0.040677000000 -0.020177000000  0.008936500000 -0.002629200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.150016700000 -0.036837600000  0.009816300000  0.004095700000 -0.002229600000  0.001017600000 -0.000270600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.035188800000  0.277186700000 -0.227156900000 -0.135721900000  0.070955200000 -0.031862900000  0.009285700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000025100000  0.526469700000 -0.535183400000 -0.336085700000  0.174384000000 -0.078084500000  0.023025800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000909700000  0.299674600000 -0.314239700000 -0.216355500000  0.122394600000 -0.056122700000  0.016205000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000740100000  0.028877000000  0.537775000000  0.568438400000 -0.357276900000  0.167924700000 -0.048961700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000483400000  0.009109100000  0.694551200000  0.953849300000 -0.597339400000  0.279964800000 -0.083938300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000345900000 -0.005283900000  0.197833900000 -0.043348600000  0.026555900000 -0.006935100000  0.004156700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000236000000  0.003243100000 -0.001512000000 -0.981792500000  1.203506100000 -0.681127400000  0.203602500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000113200000 -0.001629400000  0.005279100000 -0.451490300000  0.540211300000 -0.300726000000  0.096921500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000049300000  0.000730900000 -0.002127000000 -0.024053500000 -1.129911300000  1.018651800000 -0.343969000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000025500000 -0.000364000000  0.000906000000  0.000124800000 -0.529206300000  0.672567900000 -0.231447500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000010400000  0.000149300000 -0.000373800000  0.000027900000 -0.011814000000 -0.860349800000  0.371710100000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000003200000 -0.000046500000  0.000121000000  0.000024100000 -0.003053800000 -0.722607400000  0.513883200000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000800000  0.000011100000 -0.000028100000  0.000008500000  0.000590800000 -0.026272300000 -0.545612900000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000300000 -0.000004500000  0.000011000000 -0.000000800000 -0.000240500000  0.005773900000 -0.682373500000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  504340890.00000000
   71015026.00000000
   14335463.00000000
    3539746.40000000
    1010819.60000000
     323284.15000000
     113257.89000000
      42991.89000000
      17520.48300000
       7586.65450000
       3460.61880000
       1654.02200000
        824.30639000
        426.36146000
        227.35434000
        123.76895000
         68.50478600
         38.30441400
         21.15480100
         11.73153800
          6.44300420
          3.44469680
          1.78524880
          0.80135881
          0.37018595
          0.15187785
  0.000006600000 -0.000003500000 -0.000001800000 -0.000000900000  0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000021000000 -0.000011100000 -0.000005800000 -0.000002800000  0.000001100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000057700000 -0.000030600000 -0.000016000000 -0.000007700000  0.000003100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000144600000 -0.000076700000 -0.000040100000 -0.000019300000  0.000007700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000343800000 -0.000182700000 -0.000095600000 -0.000046100000  0.000018300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000798300000 -0.000425400000 -0.000222800000 -0.000107300000  0.000042600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001845800000 -0.000987600000 -0.000517800000 -0.000249400000  0.000099100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004280700000 -0.002302800000 -0.001208800000 -0.000582700000  0.000231500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.010031400000 -0.005439400000 -0.002860900000 -0.001379200000  0.000548400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.023694500000 -0.012994900000 -0.006855300000 -0.003309000000  0.001315000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.055141900000 -0.030799800000 -0.016320100000 -0.007881800000  0.003136200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.119899700000 -0.068837100000 -0.036748000000 -0.017796700000  0.007075000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.224102700000 -0.133695000000 -0.072071700000 -0.034952800000  0.013928800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.320395300000 -0.197497400000 -0.107575600000 -0.052413900000  0.020836900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.293960200000 -0.147608800000 -0.072895600000 -0.034267300000  0.013653800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.136426000000  0.134610400000  0.123791800000  0.067278600000 -0.027705900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.021368300000  0.474379600000  0.415317700000  0.229386900000 -0.093356200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001024700000  0.408001300000  0.310477500000  0.156426400000 -0.063791600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000318500000  0.116909700000 -0.316504400000 -0.257041100000  0.115917200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000090600000  0.006439000000 -0.649569300000 -0.597584700000  0.271476900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000091800000  0.001030900000 -0.274976600000 -0.074740300000  0.012978500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000058500000 -0.000537700000 -0.025391000000  0.684211800000 -0.453806900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000020400000  0.000132900000 -0.001061100000  0.505178900000 -0.329937100000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000009400000 -0.000066000000  0.000204900000  0.066814200000  0.425557400000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000003800000  0.000027200000 -0.000047800000 -0.002579200000  0.651857600000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000001000000 -0.000006800000  0.000010500000  0.000670300000  0.184669500000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      34958.74700000
       9426.94140000
       3427.04950000
       1435.09930000
        657.85675000
        322.21595000
        166.44430000
         89.72105100
         50.48127500
         29.09664400
         16.28743700
          8.97942270
          4.77237150
          2.45230650
          1.19631550
          0.51692597
          0.20259593
        704.03108e-4
  0.000110500000  0.000062100000  0.000027600000 -0.000007600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000620300000  0.000349700000  0.000155600000 -0.000042900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002917800000  0.001651600000  0.000734500000 -0.000202100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.012115300000  0.006905000000  0.003079800000 -0.000849000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.042438600000  0.024447400000  0.010915500000 -0.003005500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.118961700000  0.069780100000  0.031336100000 -0.008648100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.245999000000  0.145203000000  0.065160400000 -0.017948100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.344366900000  0.193893600000  0.086345600000 -0.023831500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.286560000000  0.093524000000  0.030377700000 -0.007724000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.134171800000 -0.182296500000 -0.116685800000  0.033538100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.028161400000 -0.448715300000 -0.271393400000  0.078702100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000711700000 -0.385684200000 -0.175627200000  0.045966600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000443600000 -0.116547300000  0.280469100000 -0.100627200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000202100000 -0.006692400000  0.554481600000 -0.204435400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000072300000 -0.000518500000  0.315039200000 -0.041422800000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000030000000  0.000226400000  0.046818900000  0.333421700000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000009500000 -0.000063300000 -0.000799000000  0.543845700000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000003400000  0.000023000000  0.000189500000  0.328797800000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2157.78170000
        724.22846000
        306.90467000
        146.96749000
         74.90241900
         39.63420500
         21.08559700
         11.08332500
          5.63946290
          2.67059220
          1.20817200
          0.50721115
          0.18654913
 -0.000183300000 -0.000057900000  0.000000000000  0.000000000000
 -0.001671500000 -0.000531600000  0.000000000000  0.000000000000
 -0.009668700000 -0.003073200000  0.000000000000  0.000000000000
 -0.038638400000 -0.012343300000  0.000000000000  0.000000000000
 -0.111193100000 -0.035577900000  0.000000000000  0.000000000000
 -0.233784900000 -0.074048800000  0.000000000000  0.000000000000
 -0.345237600000 -0.100897600000  0.000000000000  0.000000000000
 -0.337525200000 -0.070016300000  0.000000000000  0.000000000000
 -0.176335200000  0.101441100000  0.000000000000  0.000000000000
 -0.032365500000  0.334860000000  0.000000000000  0.000000000000
 -0.000123000000  0.423622900000  0.000000000000  0.000000000000
 -0.000371900000  0.317029700000  1.000000000000  0.000000000000
  0.000075600000  0.126807000000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Pu.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.16el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
PLUTONIUM (14s,10p,11d,9f) -> [2s,1p,1d,1f]
********************************************************************************
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on PuQR(7K)
********************************************************************************
    16.0   3
* s-type functions
   14    2
   10825697.69000000
     934016.32680000
     120475.40680000
      18914.03503000
       3771.69796000
        286.36843370
         48.17773821
         11.61469132
      28691.84574e-4
      17171.43661e-4
       6407.74537e-4
       3044.68385e-4
          0.06746560
          0.02599712
  0.000186749610 -0.000054580290
  0.000727630730 -0.000212664940
  0.002446748500 -0.000715092530
  0.007583424200 -0.002216627400
  0.017888063000 -0.005228005400
 -0.116099140000  0.033996711000
  0.380822070000 -0.112465130000
 -0.844807290000  0.256821280000
  1.158182400000 -0.391263750000
  0.246883710000 -0.087690754000
 -0.924256840000  0.458828410000
 -0.503218200000  0.370292590000
 -0.014843535000 -0.767450090000
  0.003458240500 -0.463761970000
* p-type functions
   10    1
       9935.13704200
       1860.62984100
        515.14935910
         70.02721459
         13.64531680
      35796.07395e-4
      24225.58371e-4
       6141.65768e-4
       2826.21266e-4
       1162.25744e-4
  0.002355302900
  0.012525230000
  0.034617033000
 -0.137021910000
  0.343040900000
 -0.320804170000
 -0.356639780000
  0.628029540000
  0.471990220000
  0.076947204000
* d-type functions
   11    1
       1071.53091300
        302.97081220
        109.88093570
         20.40658495
      97112.24009e-4
      48606.87029e-4
          2.33636598
       5092.40752e-4
       2336.47111e-4
       1000.44785e-4
        388.99044e-4
  0.002449404900
  0.014271678000
  0.032904033000
 -0.080909402000
 -0.059564225000
  0.109185550000
  0.188610340000
 -0.249418860000
 -0.399991920000
 -0.396655470000
 -0.174994870000
* f-type functions
    9    1
        308.43077020
        103.43438150
         41.91461630
         18.12777409
      39036.97853e-4
      18798.18772e-4
       8915.32518e-4
          0.39893083
          0.15807731
 -0.005536083200
 -0.035388182000
 -0.103783350000
 -0.136982550000
  0.249057700000
  0.388332480000
  0.353568440000
  0.210573490000
  0.062649709000
********************************************************************************
* Core AIMP:Pu DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  5.7483299000e5  1.2558086100e5  3.9086235700e4  1.3376677300e4  4.7840953800e3  1.7573701600e3  7.4759133100e2  2.7809423400e2  1.2757115800e2 26.325672000000 17.910172100000
  5.143970100000  2.849302700000  1.429031900000
  0.061274764229  0.053016634366  0.082252199536  0.116299444309  0.151604354529  0.250222819922  0.369320360108  0.271925745484  0.885883072290  1.108001570476  0.461466291922
  0.657022276516  0.370317143173  0.036393323139
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  9.0261148000e3  1.7142452600e3  4.4209336000e2  1.1737771400e2 27.236622000000
        328.83756e10
        309.120950e9
48248284000.00000000
 9936340600.00000000
 2475550800.00000000
  721082640.00000000
  241118400.00000000
   86617857.00000000
   30900291.00000000
   10755812.00000000
    3727408.60000000
    1313692.60000000
     479941.38000000
     184552.58000000
      75297.12600000
      32745.83900000
      15113.13700000
       7261.04250000
       3576.77640000
       1802.95300000
        923.85183000
        472.46213000
        242.44783000
        123.82681000
         70.39936200
         39.23895600
         21.29013300
         12.03094000
          6.72099430
          3.31552660
          1.55917020
          0.76020952
          0.32170560
        779.39585e-4
        301.39489e-4
  0.000002200000 -0.000000900000  0.000000500000  0.000000200000 -0.000000100000
  0.000008600000 -0.000003700000  0.000001800000  0.000000900000 -0.000000500000
  0.000024699999 -0.000010500000  0.000005100000  0.000002700000 -0.000001300000
  0.000060499998 -0.000025700000  0.000012600000  0.000006599999 -0.000003300000
  0.000131899996 -0.000055800000  0.000027299999  0.000014299999 -0.000007100000
  0.000256999993 -0.000108499999  0.000053099998  0.000027699998 -0.000013900000
  0.000463599987 -0.000195499998  0.000095699997  0.000049899996 -0.000024999999
  0.000861599975 -0.000362799997  0.000177699995  0.000092599992 -0.000046399999
  0.001684799952 -0.000709099994  0.000347199990  0.000180999984 -0.000090599998
  0.003300199906 -0.001389199989  0.000680199981  0.000354699968 -0.000177499995
  0.006328899819 -0.002668199979  0.001306799963  0.000681599939 -0.000341099991
  0.011786299663 -0.004987799961  0.002444599930  0.001275099885 -0.000638199983
  0.021117399396 -0.009001199930  0.004417299874  0.002304899793 -0.001153899969
  0.036297198963 -0.015660699878  0.007701699780  0.004020599639 -0.002012899945
  0.059754598292 -0.026286599796  0.012972599629  0.006779099391 -0.003395299908
  0.093674397323 -0.042431799671  0.021048699398  0.011011499011 -0.005515399850
  0.140759295977 -0.066612399483  0.033314699046  0.017472098430 -0.008761499762
  0.201788294233 -0.101799899210  0.051519998525  0.027082597566 -0.013577799631
  0.254872492715 -0.140665598908  0.072490897925  0.038336196555 -0.019281599475
  0.246090992966 -0.144434998879  0.075160897849  0.039726796430 -0.019909199458
  0.143656195894 -0.026831399792  0.003384999903  0.000331099970 -0.000069599998
  0.031601099097  0.293520897721 -0.242547193058 -0.145158886956  0.075721297940
  0.000611699983  0.535058495846 -0.549775384264 -0.348292768703  0.183359295011
  0.000279499992  0.281319597816 -0.279236192008 -0.189936682932  0.105582197127
 -0.000220899994  0.015822299877  0.583158383309  0.619135244365 -0.385171489520
  0.000093599997  0.011783999909  0.668225380874  0.940789215461 -0.608286683450
 -0.000056199998 -0.006713699948  0.178963494878 -0.148937586617  0.140911996166
  0.000040399999  0.004079099968 -0.002745299921 -0.993084410762  1.236347466362
 -0.000018299999 -0.002131699983  0.005133999853 -0.376013466212  0.441945087976
  0.000006900000  0.000916299993 -0.002109999940 -0.022909797941 -1.193057067540
 -0.000003500000 -0.000423899997  0.000839399976  0.001390299875 -0.498566586435
  0.000001600000  0.000187999999 -0.000375699989 -0.000699299937  0.019268099476
 -0.000000400000 -0.000055700000  0.000115499997  0.000251699977 -0.009605199739
  0.000000100000  0.000014200000 -0.000028599999 -0.000054999995  0.002233899939
  0.000000000000 -0.000005400000  0.000010900000  0.000021199998 -0.000849799977
   26    4
  1.4231924800e3  3.6055054000e2 90.285142000000 18.557242000000
  504149370.00000000
   70978257.00000000
   14299984.00000000
    3533643.20000000
    1009014.30000000
     322840.24000000
     113159.35000000
      42985.91800000
      17521.74600000
       7587.47390000
       3461.03100000
       1653.76830000
        824.24618000
        426.32439000
        227.32951000
        123.69534000
         68.54937700
         38.32145000
         21.12626300
         11.74196000
          6.42722900
          3.45839140
          1.79292880
          0.80870908
          0.36949302
          0.15216548
  0.000007000000 -0.000003700000 -0.000002000000 -0.000000900000
  0.000022399999 -0.000011900000 -0.000006200000 -0.000003000000
  0.000061299997 -0.000032499999 -0.000017100000 -0.000008299999
  0.000153199992 -0.000081399997 -0.000042700000 -0.000020699999
  0.000363799982 -0.000193699993 -0.000101699999 -0.000049199997
  0.000842499957 -0.000449899984 -0.000236399998 -0.000114499992
  0.001942899902 -0.001041899963 -0.000547899994 -0.000265399982
  0.004491999773 -0.002422099915 -0.001275399987 -0.000617999958
  0.010501799469 -0.005708799799 -0.003012199968 -0.001460199902
  0.024709898751 -0.013588599521 -0.007191699924 -0.003489799765
  0.057283297104 -0.032093698870 -0.017062899820 -0.008287099443
  0.123763793743 -0.071291997490 -0.038189199597 -0.018592498750
  0.229121488416 -0.137160195170 -0.074203899217 -0.036199097565
  0.322787583681 -0.199120792988 -0.108746698853 -0.053237096420
  0.289178185380 -0.140185595064 -0.068030399283 -0.031991297848
  0.129379793459  0.152471094631  0.137954398545  0.075500994922
  0.018825399048  0.482542483008  0.425757495510  0.236485684095
  0.001038999947  0.395026386090  0.288865296954  0.144007490315
 -0.000414399979  0.106807996239 -0.350158796307 -0.286718280717
  0.000154999992  0.004970099825 -0.645430993193 -0.602782359460
 -0.000125499994  0.001038099963 -0.251904397343 -0.020274998636
  0.000077299996 -0.000567699980 -0.019772299791  0.702525852751
 -0.000029099999  0.000147899995 -0.001473599984  0.470951868326
  0.000012699999 -0.000070499998  0.000351099996  0.059402496005
 -0.000005100000  0.000028099999 -0.000111699999 -0.001627899891
  0.000001300000 -0.000007300000  0.000025400000  0.000539399964
   18    3
  2.8708550000e2 62.130310000000  8.889926000000
      41478.17100000
      10322.58100000
       3542.56770000
       1441.81160000
        654.42805000
        320.47169000
        166.15699000
         89.66582300
         49.94482500
         28.27850100
         15.96997700
          9.14499810
          5.26470890
          3.01223540
          2.09370380
          1.49603560
          0.80532791
          0.36206364
  0.000094699993 -0.000053499995 -0.000023900001
  0.000602199958 -0.000341099969 -0.000152600004
  0.003037099790 -0.001727099844 -0.000772600019
  0.012901199108 -0.007392499333 -0.003315500080
  0.045010996888 -0.026064997646 -0.011710000283
  0.123932491431 -0.073138493396 -0.033033300798
  0.251188782633 -0.148804086564 -0.067183201623
  0.348870475879 -0.196497182258 -0.087769402121
  0.286693180178 -0.080895992696 -0.022993600556
  0.122136291556  0.215831380512  0.137092703312
  0.021870498488  0.443605159945  0.269554306513
  0.000804199944  0.345223668828  0.155830003765
  0.000404599972  0.116495689481 -0.212224405128
 -0.000390799973  0.015114798635 -0.422957810219
  0.000344899976 -0.000100499991 -0.143109203458
 -0.000169999988  0.000583199947 -0.292823807075
  0.000023499998 -0.000069199994 -0.114775502773
 -0.000005200000  0.000002300000 -0.012115900293
   13    1
 33.214736000000
       2127.88590000
        721.85999000
        307.20342000
        147.07671000
         74.94126300
         39.65851700
         21.13697500
         11.16474500
          5.69856000
          2.67988560
          1.19375830
          0.48925043
          0.17438974
 -0.000202800014
 -0.001796400126
 -0.010325800723
 -0.040983602871
 -0.116844508186
 -0.241483616917
 -0.348026824381
 -0.330618723162
 -0.166214811644
 -0.028147901972
  0.000053300004
 -0.000340000024
  0.000067800005
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Pu.AE.Paulovic.35s26p18d13f.7s5p4d2f.ECP.94e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        327.81155e10
        309.120950e9
48778233000.00000000
10068205000.00000000
 2495891700.00000000
  723339550.00000000
  241118400.00000000
   86617857.00000000
   30900291.00000000
   10755812.00000000
    3727408.60000000
    1313628.50000000
     479917.95000000
     184589.51000000
      75320.45000000
      32755.37600000
      15113.13700000
       7261.04250000
       3576.77640000
       1803.80000000
        927.41176000
        471.70277000
        242.84770000
        123.90451000
         71.15447000
         39.27105200
         21.18655100
         12.04357700
          6.72192760
          3.21430390
          1.55916820
          0.76000372
          0.32171461
        777.96063e-4
        298.73307e-4
  0.000002200000 -0.000000900000  0.000000500000  0.000000200000 -0.000000100000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000008600000 -0.000003700000  0.000001800000  0.000000900000 -0.000000500000  0.000000200000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000024400000 -0.000010400000  0.000005100000  0.000002700000 -0.000001300000  0.000000600000 -0.000000200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000060100000 -0.000025500000  0.000012500000  0.000006500000 -0.000003300000  0.000001500000 -0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000131700000 -0.000055700000  0.000027300000  0.000014200000 -0.000007100000  0.000003200000 -0.000000900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000257500000 -0.000108700000  0.000053200000  0.000027800000 -0.000013900000  0.000006200000 -0.000001800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000464200000 -0.000195700000  0.000095800000  0.000050000000 -0.000025000000  0.000011100000 -0.000003300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000861300000 -0.000362700000  0.000177600000  0.000092600000 -0.000046400000  0.000020600000 -0.000006100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001685000000 -0.000709100000  0.000347200000  0.000181100000 -0.000090700000  0.000040300000 -0.000011800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003300000000 -0.001389100000  0.000680100000  0.000354700000 -0.000177600000  0.000079000000 -0.000023200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006329000000 -0.002668200000  0.001306800000  0.000681600000 -0.000341400000  0.000151800000 -0.000044500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.011787600000 -0.004988500000  0.002444900000  0.001275300000 -0.000638700000  0.000284000000 -0.000083300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.021114700000 -0.008999700000  0.004416500000  0.002304700000 -0.001154600000  0.000513500000 -0.000150600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.036283800000 -0.015655800000  0.007699200000  0.004019500000 -0.002013400000  0.000895300000 -0.000262700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.059740200000 -0.026276800000  0.012968000000  0.006777400000 -0.003397300000  0.001511100000 -0.000443200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.093674200000 -0.042440100000  0.021052200000  0.011013000000 -0.005517800000  0.002453600000 -0.000720100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.140814700000 -0.066612100000  0.033316400000  0.017476700000 -0.008775100000  0.003905400000 -0.001145100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.201722000000 -0.101836100000  0.051533600000  0.027084100000 -0.013572200000  0.006033600000 -0.001772000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.254976900000 -0.140535500000  0.072433600000  0.038326200000 -0.019327100000  0.008615300000 -0.002523900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.245393300000 -0.144553300000  0.075217800000  0.039718800000 -0.019826900000  0.008793800000 -0.002588300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.143741100000 -0.026162200000  0.003101400000  0.000278800000 -0.000246700000  0.000156400000 -0.000029000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.032513800000  0.292779300000 -0.242632100000 -0.145504900000  0.076414600000 -0.034458600000  0.010093500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000007800000  0.533535100000 -0.546417800000 -0.345456200000  0.180895300000 -0.081158200000  0.023924400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000793200000  0.283655400000 -0.289070000000 -0.199266700000  0.113743300000 -0.052728000000  0.015375100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000662200000  0.014204000000  0.581558700000  0.616960200000 -0.389249600000  0.184197000000 -0.054185900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000405200000  0.013213100000  0.680091400000  0.952243600000 -0.605808300000  0.284402300000 -0.084891000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000282400000 -0.007705400000  0.174834500000 -0.153982600000  0.124294700000 -0.054653900000  0.017325300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000194500000  0.004770800000 -0.001380900000 -0.986874500000  1.267933900000 -0.733822100000  0.222444100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000096600000 -0.002428400000  0.004109600000 -0.381335400000  0.386941300000 -0.194160500000  0.061496100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000040800000  0.001052500000 -0.001651800000 -0.021141200000 -1.192052400000  1.093540500000 -0.367499700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000021000000 -0.000524700000  0.000670800000  0.001316500000 -0.453343500000  0.594438300000 -0.211383800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000009100000  0.000227400000 -0.000289700000 -0.000551600000  0.005418700000 -0.980703700000  0.438008600000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000002600000 -0.000066600000  0.000088900000  0.000200100000 -0.005333100000 -0.634494000000  0.478876800000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000700000  0.000016700000 -0.000021700000 -0.000038700000  0.001147400000 -0.009881900000 -0.635173800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000200000 -0.000006400000  0.000008600000  0.000014000000 -0.000420700000  0.000327300000 -0.613697000000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  505386540.00000000
   71116197.00000000
   14360283.00000000
    3547662.80000000
    1011971.40000000
     323114.12000000
     113248.95000000
      43003.23700000
      17518.34500000
       7586.86390000
       3460.38980000
       1654.14300000
        824.30935000
        426.40533000
        227.35284000
        123.65800000
         68.53430900
         38.28790500
         21.11197500
         11.73117600
          6.44129240
          3.44664590
          1.78872190
          0.80763638
          0.36842871
          0.15281276
  0.000007000000 -0.000003700000 -0.000002000000 -0.000000900000  0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000022300000 -0.000011800000 -0.000006200000 -0.000003000000  0.000001200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000061000000 -0.000032400000 -0.000017000000 -0.000008200000  0.000003300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000152800000 -0.000081200000 -0.000042600000 -0.000020700000  0.000008200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000363500000 -0.000193600000 -0.000101600000 -0.000049300000  0.000019600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000842800000 -0.000450100000 -0.000236500000 -0.000114700000  0.000045600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001940900000 -0.001040800000 -0.000547300000 -0.000265500000  0.000105500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004495000000 -0.002423700000 -0.001276400000 -0.000619300000  0.000246200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.010502800000 -0.005709200000 -0.003012600000 -0.001462300000  0.000581600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.024718100000 -0.013593700000 -0.007194600000 -0.003496000000  0.001389800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.057271100000 -0.032085500000 -0.017059900000 -0.008296400000  0.003301700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.123709500000 -0.071264100000 -0.038174800000 -0.018611400000  0.007402400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.229151300000 -0.137165100000 -0.074214300000 -0.036249500000  0.014446900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.322664000000 -0.199075600000 -0.108718200000 -0.053302600000  0.021204200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.289386700000 -0.140233300000 -0.068082000000 -0.032039000000  0.012736700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.129342900000  0.152526300000  0.138093000000  0.075635500000 -0.031090700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.018818500000  0.482868800000  0.425897000000  0.236984000000 -0.096637100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001016000000  0.395110400000  0.289110400000  0.144099900000 -0.058434600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000396600000  0.106219900000 -0.352182500000 -0.288065600000  0.129722500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000141400000  0.005145400000 -0.643656400000 -0.603837000000  0.276053700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000116000000  0.000909100000 -0.251521100000 -0.017567200000 -0.020308700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000071800000 -0.000497200000 -0.020754400000  0.706973000000 -0.471688800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000026800000  0.000118200000 -0.001017800000  0.467298700000 -0.295955000000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000011700000 -0.000057400000  0.000217300000  0.056755400000  0.466235400000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000004700000  0.000023300000 -0.000054800000 -0.001834500000  0.631360800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000001200000 -0.000006000000  0.000011700000  0.000479500000  0.164868000000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      42829.34900000
      10629.42200000
       3719.33870000
       1525.43830000
        689.47529000
        334.02402000
        170.65464000
         90.28543600
         48.96896600
         26.72400600
         14.47038000
          7.83123690
          4.12780900
          2.11191300
          1.01858000
          0.40128074
          0.15110405
        521.93793e-4
  0.000091200000  0.000051500000  0.000023100000 -0.000005500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000566300000  0.000320900000  0.000144100000 -0.000034400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002743500000  0.001559300000  0.000699600000 -0.000166300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.011665400000  0.006682800000  0.003009800000 -0.000719000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.041722500000  0.024131100000  0.010871000000 -0.002585500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.119074000000  0.070218100000  0.031844500000 -0.007617600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.251477100000  0.149012600000  0.067473900000 -0.016042700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.361457600000  0.203991300000  0.091616600000 -0.021963600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.297313600000  0.076726700000  0.019372500000 -0.003707600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.115469400000 -0.263898500000 -0.165005000000  0.040512600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.015210000000 -0.490994700000 -0.299888100000  0.076030400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000593800000 -0.312381000000 -0.071091400000  0.008709200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000017200000 -0.064946600000  0.410367100000 -0.121990800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000008200000 -0.002024700000  0.521505300000 -0.167879600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000009700000 -0.000221200000  0.218883600000  0.047248500000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000001200000  0.000093600000  0.020177500000  0.375239800000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000000800000 -0.000028900000 -0.000970200000  0.507016100000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000300000  0.000009400000  0.000366500000  0.303020800000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2174.71610000
        726.11559000
        307.22081000
        147.10060000
         74.94484700
         39.62809500
         21.04257000
         11.05108400
          5.62988620
          2.67703060
          1.22318690
          0.52103734
          0.19542018
 -0.000195600000 -0.000064500000  0.000000000000  0.000000000000
 -0.001793800000 -0.000595300000  0.000000000000  0.000000000000
 -0.010338700000 -0.003430900000  0.000000000000  0.000000000000
 -0.040953300000 -0.013655300000  0.000000000000  0.000000000000
 -0.116883500000 -0.039055100000  0.000000000000  0.000000000000
 -0.242352100000 -0.079916900000  0.000000000000  0.000000000000
 -0.351452400000 -0.106291600000  0.000000000000  0.000000000000
 -0.331088200000 -0.065704100000  0.000000000000  0.000000000000
 -0.162307600000  0.123751800000  0.000000000000  0.000000000000
 -0.027144000000  0.356093800000  0.000000000000  0.000000000000
 -0.000109000000  0.419321300000  0.000000000000  0.000000000000
 -0.000307700000  0.291664200000  1.000000000000  0.000000000000
  0.000053900000  0.101838400000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Am.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.17el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
AMERICIUM (14s,10p,11d,9f) -> [2s,1p,1d,1f]
********************************************************************************
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on AmQR(10D)
********************************************************************************
    17.0   3
* s-type functions
   14    2
    9394661.45300000
     849878.59290000
     121315.80140000
      20468.54128000
       4010.39382600
        295.28882800
         50.20327204
         11.63694310
      48765.62961e-4
      26181.73671e-4
       6256.72839e-4
       2803.94924e-4
        659.70808e-4
        281.46824e-4
  0.000211640070 -0.000055967168
  0.000772659010 -0.000204329690
  0.002370970200 -0.000626987020
  0.007241996800 -0.001915301100
  0.017676282000 -0.004674418800
 -0.114325460000  0.030288587000
  0.369932520000 -0.098808890000
 -0.884262620000  0.243530010000
  0.245191920000 -0.075206590000
  1.151372900000 -0.344267450000
 -0.937890290000  0.392011860000
 -0.446717650000  0.342282000000
 -0.007544331300 -0.565764640000
  0.000244174960 -0.639440010000
* p-type functions
   10    1
      10146.43393000
       1903.21646700
        530.00236130
         72.31556263
         13.99524745
      41293.60256e-4
      26749.12503e-4
       6275.09887e-4
       2862.07355e-4
       1190.58067e-4
  0.002330691100
  0.012173400000
  0.033466505000
 -0.132211110000
  0.335690540000
 -0.205703550000
 -0.445531680000
  0.590179070000
  0.489167690000
  0.091694427000
* d-type functions
   11    1
       1105.05192500
        311.88334590
        113.14336480
         21.04543559
         10.43813855
      47789.57658e-4
      23723.84199e-4
       5105.38815e-4
       2075.05987e-4
        755.59496e-4
        257.72751e-4
  0.001688726000
  0.009838495600
  0.022745281000
 -0.055460373000
 -0.037365292000
  0.077855712000
  0.122590280000
 -0.180537880000
 -0.342289370000
 -0.448485700000
 -0.319339120000
* f-type functions
    9    1
        319.30264710
        107.25710410
         43.52247094
         18.88133578
      40835.44231e-4
      19420.96778e-4
       8944.50601e-4
       3825.81748e-4
       1434.50911e-4
 -0.005415313800
 -0.034678539000
 -0.102119500000
 -0.135147050000
  0.248770330000
  0.390253460000
  0.355578180000
  0.219025640000
  0.075095048000
********************************************************************************
* Core AIMP:Am DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.8267489000e5  1.7007058100e5  5.8935885300e4  2.2082739700e4  8.7059707600e3  3.4879169900e3  1.4580680300e3  6.8279246100e2  2.5984944500e2  1.2978251900e2  2.826724200000
 26.486554100000 17.027915200000  5.192836790000  1.409062840000
  0.052271575454  0.039585832128  0.059631701520  0.084913731176  0.109762827245  0.144490833481  0.247988758641  0.310109710615  0.256476835770  0.808150329808  0.311960407988
  1.174757504213  0.306941157034  0.655892145024  0.025301944021
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  9.2645394000e3  1.7664959800e3  4.5698314000e2  1.2198607400e2 28.437432000000
        328.83756e10
        309.120950e9
48248284000.00000000
 9936340600.00000000
 2475550800.00000000
  720428000.00000000
  241118400.00000000
   86600941.00000000
   30894257.00000000
   10761587.00000000
    3730108.80000000
    1313692.60000000
     479941.38000000
     184569.62000000
      75297.12600000
      32749.03700000
      15115.77300000
       7260.95380000
       3576.78730000
       1802.95300000
        923.84902000
        472.46213000
        242.44783000
        123.82718000
         70.39248700
         39.24075200
         21.29026300
         12.03057300
          6.72099430
          3.31552660
          1.55884670
          0.76020720
          0.32166633
        779.39546e-4
        301.42432e-4
  0.000002400000 -0.000001000000  0.000000500000  0.000000300000 -0.000000100000
  0.000009399999 -0.000004000000  0.000002000000  0.000001000000 -0.000000500000
  0.000026799998 -0.000011499999  0.000005600000  0.000002900000 -0.000001500000
  0.000065399996 -0.000027899998  0.000013700000  0.000007200000 -0.000003600000
  0.000141999992 -0.000060399996  0.000029700000  0.000015500001 -0.000007800000
  0.000275699984 -0.000117099993  0.000057400000  0.000030000001 -0.000015100000
  0.000494899971 -0.000209899987  0.000102900000  0.000053800002 -0.000027100000
  0.000917899946 -0.000388799977  0.000190600001  0.000099600003 -0.000050099999
  0.001786799894 -0.000756399954  0.000370800001  0.000193800006 -0.000097499999
  0.003484799794 -0.001475499911  0.000723300003  0.000378000012 -0.000190299998
  0.006665199606 -0.002826399830  0.001386000005  0.000724500023 -0.000364599995
  0.012368999269 -0.005264999682  0.002583600009  0.001350700044 -0.000679799991
  0.022054898696 -0.009456499430  0.004646500017  0.002430000079 -0.001223199984
  0.037752797767 -0.016387599012  0.008069500029  0.004222300137 -0.002125499973
  0.061853696342 -0.027381498348  0.013531300049  0.007087300229 -0.003569399954
  0.096407894299 -0.043958797349  0.021836800079  0.011450500371 -0.005766799925
  0.143980391485 -0.068610595862  0.034368300124  0.018066400585 -0.009110899882
  0.204724387893 -0.104009993726  0.052718600191  0.027779800899 -0.014001999819
  0.255480384891 -0.141764691449  0.073168200265  0.038781901255 -0.019622299746
  0.242409385664 -0.141207691483  0.073284300265  0.038787101256 -0.019519299748
  0.137496891869 -0.014776799109 -0.004701100017 -0.004281200139  0.002264199971
  0.028783298298  0.310928081246 -0.259324400938 -0.155909505047  0.081932898941
  0.000510899970  0.532367367889 -0.553387902001 -0.352804711421  0.186838797585
  0.000208599988  0.263815984087 -0.241519800873 -0.161952905243  0.091214898821
 -0.000161399990  0.012510699245  0.615303702225  0.665396121541 -0.419666094575
  0.000053299997  0.010540499364  0.644986202332  0.916816129680 -0.595660392300
 -0.000026799998 -0.005991999639  0.158834600574 -0.231132407482  0.206778097327
  0.000020599999  0.003588399784 -0.002780000010 -0.988636832005  1.292853883287
 -0.000008300000 -0.001862899888  0.004310300016 -0.333682010802  0.306569096037
  0.000002600000  0.000799799952 -0.001796800006 -0.018672200604 -1.215652384285
 -0.000001500000 -0.000368899978  0.000701700003  0.001290400042 -0.435826094366
  0.000000600000  0.000163399990 -0.000312100001 -0.000662700021  0.017636899772
 -0.000000200000 -0.000048399997  0.000096300000  0.000241700008 -0.007982499897
  0.000000000000  0.000012299999 -0.000023800000 -0.000054100002  0.001816799977
  0.000000000000 -0.000004700000  0.000009000000  0.000020800001 -0.000688599991
   26    4
  1.4610262600e3  3.7165352000e2 93.658182000000 19.332227000000
  502976140.00000000
   70692481.00000000
   14267308.00000000
    3527264.40000000
    1007384.50000000
     322182.07000000
     113088.93000000
      42967.25000000
      17523.61900000
       7589.67300000
       3460.99630000
       1653.61950000
        824.09354000
        426.29266000
        227.27355000
        123.67164000
         68.56683700
         38.27721200
         21.15659700
         11.73630200
          6.36283190
          3.47237400
          1.80771940
          0.81629968
          0.37081238
          0.15131823
  0.000007500000 -0.000004000000 -0.000002100000 -0.000001000000
  0.000023800001 -0.000012700000 -0.000006700000 -0.000003200000
  0.000065000004 -0.000034600000 -0.000018200000 -0.000008900000
  0.000162300009 -0.000086399999 -0.000045499999 -0.000022200000
  0.000384900022 -0.000205399998 -0.000108199997 -0.000052700000
  0.000889000051 -0.000475799996 -0.000250699994 -0.000122200000
  0.002043300118 -0.001098199992 -0.000579299986 -0.000282400000
  0.004715700272 -0.002548599981 -0.001346199968 -0.000656399999
  0.010979700634 -0.005983499955 -0.003167299925 -0.001545399998
  0.025767001488 -0.014208299892 -0.007543099822 -0.003682599996
  0.059475103435 -0.033422399747 -0.017830799578 -0.008718399991
  0.127677207375 -0.073788599441 -0.039654799062 -0.019421299980
  0.234125313524 -0.140626198935 -0.076366298194 -0.037519999962
  0.324865318765 -0.200457598482 -0.109695097406 -0.053968799945
  0.284198416416 -0.132309998998 -0.062932798512 -0.029675999970
  0.122335707067  0.170327598710  0.152637596390  0.084405299914
  0.016744200967  0.490617296285  0.435355489705  0.242934699751
  0.000897500052  0.381047597115  0.266942593687  0.132155299865
 -0.000391500023  0.096350599270 -0.383811290924 -0.319009299673
  0.000137400008  0.004648899965 -0.642549284805 -0.605482999380
 -0.000110900006  0.000577299996 -0.227689894616  0.038187799961
  0.000071500004 -0.000364599997 -0.013592599679  0.712678899270
 -0.000026400002  0.000060000000 -0.002138399949  0.439887399550
  0.000011200001 -0.000033400000  0.000578899986  0.052001099947
 -0.000004400000  0.000012900000 -0.000197199995 -0.001285799999
  0.000001100000 -0.000003400000  0.000046199999  0.000423300000
   18    3
  2.9592574000e2 64.629046000000  9.318046000000
      41531.81800000
      10332.26000000
       3544.16640000
       1441.99800000
        654.25482000
        320.41638000
        166.12860000
         89.65231500
         49.93678300
         28.27217300
         15.96399200
          9.12492520
          5.25333260
          3.01502590
          2.10766380
          1.49935810
          0.80722820
          0.36247888
  0.000100300005 -0.000056900004 -0.000025699998
  0.000636500029 -0.000362300025 -0.000163499989
  0.003203400147 -0.001830900124 -0.000826599945
  0.013561200623 -0.007809000529 -0.003533999765
  0.047071102163 -0.027409101856 -0.012429099172
  0.128514005906 -0.076240505162 -0.034750697686
  0.257431311831 -0.153177210371 -0.069796295352
  0.351052016133 -0.197239113354 -0.088667894096
  0.280291312881 -0.069979904738 -0.016886498876
  0.115184905294  0.232569915746  0.148224490130
  0.019399000892  0.451089230540  0.277694781508
  0.000716300033  0.332523022513  0.137958990813
  0.000273400013  0.103993607041 -0.242014283884
 -0.000272400013  0.012835400869 -0.425851571643
  0.000220000010 -0.000366900025 -0.139481290712
 -0.000110500005  0.000636400043 -0.277461981524
  0.000012800001 -0.000075100005 -0.102378093183
 -0.000003700000  0.000008100001 -0.010308199314
   13    1
 35.030708000000
       2124.33380000
        715.33852000
        304.86178000
        146.86024000
         75.16149100
         39.83014800
         21.20292900
         11.21684100
          5.79197380
          2.82821870
          1.30606630
          0.54874312
          0.19793159
 -0.000221399995
 -0.001978399958
 -0.011154899764
 -0.043199399087
 -0.121607797429
 -0.248558894744
 -0.352955892537
 -0.322534793180
 -0.153805596748
 -0.026141299447
 -0.000422799991
 -0.000158499997
  0.000038999999
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Am.AE.Paulovic.35s26p18d13f.7s5p4d2f.ECP.95e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        318.72029e10
        310.958270e9
48643460000.00000000
 9978279300.00000000
 2479421900.00000000
  723812930.00000000
  241118400.00000000
   86567119.00000000
   30894257.00000000
   10757384.00000000
    3727007.40000000
    1313724.70000000
     479935.52000000
     184641.73000000
      75339.85300000
      32753.09400000
      15113.03000000
       7262.29550000
       3576.92990000
       1802.03060000
        926.16352000
        471.72206000
        242.67743000
        123.49052000
         70.83692300
         39.25033300
         22.11977200
         12.13919100
          6.84581460
          3.25592150
          1.55862480
          0.75586563
          0.31817345
        592.82337e-4
        244.66773e-4
  0.000002400000 -0.000001000000  0.000000500000  0.000000300000 -0.000000100000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000009300000 -0.000004000000  0.000002000000  0.000001000000 -0.000000500000  0.000000200000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000026700000 -0.000011400000  0.000005600000  0.000002900000 -0.000001500000  0.000000600000 -0.000000200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000065500000 -0.000027900000  0.000013700000  0.000007200000 -0.000003600000  0.000001600000 -0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000141600000 -0.000060300000  0.000029600000  0.000015500000 -0.000007800000  0.000003400000 -0.000000900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000275000000 -0.000116800000  0.000057300000  0.000029900000 -0.000015100000  0.000006600000 -0.000001700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000496900000 -0.000210700000  0.000103300000  0.000054000000 -0.000027200000  0.000011900000 -0.000003100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000916900000 -0.000388400000  0.000190400000  0.000099500000 -0.000050100000  0.000021900000 -0.000005800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001787000000 -0.000756500000  0.000370800000  0.000193800000 -0.000097500000  0.000042700000 -0.000011300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003488400000 -0.001477000000  0.000724000000  0.000378400000 -0.000190400000  0.000083400000 -0.000022000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006665500000 -0.002826500000  0.001386000000  0.000724500000 -0.000364600000  0.000159800000 -0.000042200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.012362900000 -0.005262500000  0.002582300000  0.001350000000 -0.000679400000  0.000297700000 -0.000078600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.022056000000 -0.009456700000  0.004646600000  0.002430000000 -0.001223200000  0.000536000000 -0.000141500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.037719900000 -0.016374100000  0.008062700000  0.004218800000 -0.002123500000  0.000930500000 -0.000245800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.061850500000 -0.027376900000  0.013529300000  0.007085800000 -0.003568800000  0.001564100000 -0.000412900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.096458600000 -0.043989900000  0.021851100000  0.011459000000 -0.005769500000  0.002528400000 -0.000668200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.143996400000 -0.068595900000  0.034363800000  0.018060900000 -0.009111000000  0.003994600000 -0.001053700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.204560900000 -0.103987200000  0.052699300000  0.027777400000 -0.013990600000  0.006131700000 -0.001622600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.255828700000 -0.141790300000  0.073197600000  0.038776700000 -0.019641500000  0.008620800000 -0.002269900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.242028700000 -0.141453600000  0.073389600000  0.038893600000 -0.019516600000  0.008544400000 -0.002272000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.137217000000 -0.013879400000 -0.005090200000 -0.004597900000  0.002301300000 -0.001003800000  0.000296800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.029555500000  0.310315500000 -0.259553400000 -0.155859200000  0.082188900000 -0.036442100000  0.009576800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000051400000  0.531812900000 -0.551036900000 -0.351732100000  0.185587900000 -0.082269600000  0.021899500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000691900000  0.266345400000 -0.250311400000 -0.167120700000  0.095963300000 -0.043511600000  0.011211100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000595500000  0.009080900000  0.620509500000  0.662099900000 -0.420950500000  0.195510600000 -0.051384100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000381600000  0.013142900000  0.641538800000  0.933473600000 -0.599773000000  0.279510700000 -0.075802300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000256800000 -0.007538300000  0.156012500000 -0.224090300000  0.182176100000 -0.086014000000  0.025183900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000162800000  0.004211700000  0.008318100000 -0.989244100000  1.314544100000 -0.750106300000  0.202521200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000082500000 -0.002183400000  0.000080300000 -0.346393900000  0.286792700000 -0.128574600000  0.038959900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000033400000  0.000909100000 -0.000159400000 -0.022773000000 -1.209882600000  1.116814600000 -0.338432800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000016700000 -0.000440000000 -0.000045900000  0.003071900000 -0.410292100000  0.481880500000 -0.143011200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000007100000  0.000186800000  0.000016500000 -0.001301400000  0.008244500000 -0.944729100000  0.355411200000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000001900000 -0.000050600000  0.000000500000  0.000387800000 -0.004949900000 -0.617105200000  0.418959900000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000400000  0.000011400000  0.000000800000 -0.000078500000  0.000939300000 -0.015072100000 -0.694182000000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000200000 -0.000005200000  0.000000300000  0.000036100000 -0.000411800000  0.003398400000 -0.500336500000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  501491330.00000000
   70692481.00000000
   14336663.00000000
    3548169.30000000
    1012798.80000000
     323043.55000000
     113213.68000000
      43000.91600000
      17522.48300000
       7585.68190000
       3461.33900000
       1653.93740000
        824.08287000
        426.42862000
        227.31589000
        123.59751000
         68.59143300
         38.31217300
         21.08471600
         11.74842100
          6.43034100
          3.45734050
          1.79024430
          0.81625414
          0.36429423
          0.15139883
  0.000007500000 -0.000004000000 -0.000002100000 -0.000001000000  0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000023700000 -0.000012600000 -0.000006600000 -0.000003200000  0.000001200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000064600000 -0.000034400000 -0.000018100000 -0.000008800000  0.000003400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000161500000 -0.000086000000 -0.000045300000 -0.000022100000  0.000008500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000383900000 -0.000204900000 -0.000107900000 -0.000052600000  0.000020300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000889200000 -0.000475900000 -0.000250800000 -0.000122200000  0.000047200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002042400000 -0.001097700000 -0.000579000000 -0.000282300000  0.000109000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004714500000 -0.002548000000 -0.001345900000 -0.000656300000  0.000253500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.010993200000 -0.005990700000 -0.003170900000 -0.001547200000  0.000597800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.025774000000 -0.014212700000 -0.007546200000 -0.003685000000  0.001423300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.059422400000 -0.033391500000 -0.017812400000 -0.008709000000  0.003367100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.127707700000 -0.073809300000 -0.039672000000 -0.019436600000  0.007510800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.234088300000 -0.140592500000 -0.076331900000 -0.037495400000  0.014517400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.324683400000 -0.200380600000 -0.109699500000 -0.054011200000  0.020874600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.284513500000 -0.132388100000 -0.062852300000 -0.029554500000  0.011394700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.122307300000  0.170487600000  0.152517000000  0.084165200000 -0.033580900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.016654400000  0.489576600000  0.435093900000  0.243246200000 -0.096409900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000934400000  0.381994900000  0.266065000000  0.130705600000 -0.051232800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000407700000  0.096727200000 -0.384733300000 -0.318477000000  0.139323800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000148800000  0.003967900000 -0.636227000000 -0.603775800000  0.268652100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000114700000  0.000869500000 -0.230124200000  0.036906500000 -0.050536900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000071400000 -0.000494300000 -0.015979300000  0.722033200000 -0.466667100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000026700000  0.000118200000 -0.001406300000  0.432959200000 -0.254180800000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000011500000 -0.000056200000  0.000351300000  0.049152300000  0.457508900000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000004500000  0.000021800000 -0.000109500000 -0.000539700000  0.620257800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000001200000 -0.000005700000  0.000029200000  0.000355400000  0.175863200000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      41079.51900000
      10260.59600000
       3530.98710000
       1446.63070000
        663.02207000
        328.41006000
        172.27921000
         93.43428000
         51.53269200
         28.29683400
         15.29824500
          8.21205290
          4.23424410
          2.11690980
          0.98533365
          0.34271014
          0.10814487
        316.14484e-4
  0.000101700000  0.000057700000  0.000026000000 -0.000004400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000642300000  0.000365600000  0.000165200000 -0.000028100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003209100000  0.001833900000  0.000827400000 -0.000139500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.013338400000  0.007682100000  0.003482100000 -0.000592800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.045389500000  0.026416600000  0.011966800000 -0.002017900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.121984500000  0.072348400000  0.033037100000 -0.005637100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.244958900000  0.145780500000  0.066311600000 -0.011153900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.348366300000  0.197870200000  0.089618200000 -0.015400900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.297780000000  0.085108100000  0.023890100000 -0.003192300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.123692000000 -0.247059900000 -0.156520400000  0.026846300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.017194700000 -0.495723300000 -0.307238400000  0.056089000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000697300000 -0.326648700000 -0.078274200000  0.006284500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000058500000 -0.065547700000  0.433894800000 -0.089019100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000001200000 -0.001313400000  0.526052200000 -0.121236300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000017300000 -0.000341000000  0.199545800000  0.055529100000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000001900000  0.000093900000  0.014581900000  0.314770100000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000001200000 -0.000031300000 -0.000921100000  0.498207900000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000400000  0.000009600000  0.000312400000  0.430676200000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2139.89450000
        717.81686000
        305.48798000
        146.94941000
         75.13104100
         39.78550300
         21.17420300
         11.20738400
          5.78222140
          2.80246030
          1.27564250
          0.51532166
          0.17416542
 -0.000218700000 -0.000071700000  0.000000000000  0.000000000000
 -0.001966600000 -0.000645800000  0.000000000000  0.000000000000
 -0.011125600000 -0.003665700000  0.000000000000  0.000000000000
 -0.043232000000 -0.014272300000  0.000000000000  0.000000000000
 -0.121828800000 -0.040417400000  0.000000000000  0.000000000000
 -0.249041100000 -0.081099500000  0.000000000000  0.000000000000
 -0.352925200000 -0.105343200000  0.000000000000  0.000000000000
 -0.322164300000 -0.058977200000  0.000000000000  0.000000000000
 -0.153962700000  0.125893700000  0.000000000000  0.000000000000
 -0.025813000000  0.345281400000  0.000000000000  0.000000000000
 -0.000292900000  0.419855200000  0.000000000000  0.000000000000
 -0.000164200000  0.309015900000  1.000000000000  0.000000000000
  0.000042600000  0.116016000000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Cm.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.18el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
CURIUM (14s,10p,11d,9f) -> [2s,1p,1d,1f]
********************************************************************************
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on CmQR(9D)
********************************************************************************
    18.0   3
* s-type functions
   14    2
   18108850.08000000
    1336142.26700000
     156705.40010000
      24190.72587000
       4364.55242600
        305.53725750
         51.51139975
         12.37657123
          3.55191589
      24958.96278e-4
       6511.88217e-4
       2883.75337e-4
        752.82475e-4
        286.75891e-4
  0.000160338690 -0.000045448337
  0.000691041770 -0.000195880300
  0.002292366300 -0.000649771270
  0.007188870200 -0.002037909500
  0.018445984000 -0.005228544400
 -0.116331300000  0.033038874000
  0.383800300000 -0.109944550000
 -0.870291590000  0.256797530000
  0.668582760000 -0.218455470000
  0.723320170000 -0.237197600000
 -1.013208000000  0.491196440000
 -0.389956650000  0.316418510000
 -0.001903196200 -0.705566020000
 -0.000704858220 -0.536023630000
* p-type functions
   10    1
      10958.50262000
       2030.59086700
        554.09222210
         74.03171244
         14.56999298
      39272.59432e-4
      26702.79932e-4
       6706.47648e-4
       3124.37298e-4
       1331.40127e-4
  0.002323536600
  0.012281507000
  0.034860394000
 -0.137465240000
  0.345251570000
 -0.303018660000
 -0.369129010000
  0.606365920000
  0.477524190000
  0.092778064000
* d-type functions
   11    1
       1139.21798400
        321.59718750
        116.70408150
         21.70325470
         10.83805009
      50602.42885e-4
      25589.08985e-4
       5615.38862e-4
       2439.44884e-4
       1035.23002e-4
        431.90583e-4
  0.002537075700
  0.014747761000
  0.034317578000
 -0.083840265000
 -0.056441142000
  0.113196150000
  0.187916930000
 -0.290847290000
 -0.439762570000
 -0.350691860000
 -0.136363640000
* f-type functions
    9    1
        334.67213590
        112.20112810
         45.54531628
         19.77790730
      42734.65101e-4
      20450.90355e-4
       9658.82888e-4
       4333.40273e-4
       1726.66568e-4
 -0.005564758400
 -0.036033876000
 -0.107362570000
 -0.143999890000
  0.266568630000
  0.401604020000
  0.342994410000
  0.192170050000
  0.053195239000
********************************************************************************
* Core AIMP:Cm DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.9440302000e5  1.7416063100e5  6.0630016300e4  2.2865801400e4  9.0545920200e3  3.6323947200e3  1.5163739300e3  7.0836414500e2  2.7027904400e2  1.3403664300e2  5.388816300000
 27.247225800000 17.577561200000  2.957229190000  1.499716790000
  0.049818061349  0.037486967185  0.056159060635  0.079497838392  0.102982481551  0.135917756282  0.233136921204  0.294138282600  0.240188521947  0.767189825835  0.626278042292
  1.128673151887  0.268984201833  0.289987573083  0.022894647257
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  9.5083574000e3  1.8204831200e3  4.7268152000e2  1.2713785600e2 30.087728000000
        328.83756e10
        309.000220e9
48248284000.00000000
 9936340600.00000000
 2475550800.00000000
  720428000.00000000
  241120930.00000000
   86600941.00000000
   30893502.00000000
   10774206.00000000
    3731439.40000000
    1313693.70000000
     479871.08000000
     184487.44000000
      75267.71900000
      32749.03700000
      15119.20300000
       7260.95380000
       3578.59590000
       1802.90900000
        922.97027000
        472.83284000
        242.40619000
        121.38358000
         70.36617300
         39.27994600
         21.29459500
         12.02961300
          6.67178520
          3.31980660
          1.53657840
          0.76044484
          0.32154622
        785.29814e-4
        306.09801e-4
  0.000002600000 -0.000001200000  0.000000600000  0.000000300000 -0.000000200000
  0.000010300000 -0.000004499999  0.000002200000  0.000001100000 -0.000000600000
  0.000029199999 -0.000012599999  0.000006200000  0.000003200000 -0.000001600000
  0.000070799999 -0.000030399997  0.000014900001  0.000007800000 -0.000004000000
  0.000152999997 -0.000065499993  0.000032200002  0.000016900000 -0.000008499999
  0.000295699994 -0.000126399986  0.000062000003  0.000032500000 -0.000016499999
  0.000528599990 -0.000225499975  0.000110700006  0.000058000000 -0.000029399998
  0.000978099981 -0.000416799953  0.000204600011  0.000107200000 -0.000054199996
  0.001893699964 -0.000806399909  0.000395800021  0.000207300001 -0.000104999991
  0.003681099929 -0.001567699823  0.000769400041  0.000403100001 -0.000203999983
  0.007023799865 -0.002995899662  0.001470900077  0.000770600003 -0.000390099968
  0.012973699750 -0.005554999374  0.002729200144  0.001430000005 -0.000723999941
  0.023045999556 -0.009940398880  0.004890300257  0.002563300009 -0.001297899894
  0.039273999243 -0.017152698068  0.008456800445  0.004435000016 -0.002245799816
  0.064002698767 -0.028511996788  0.014108800743  0.007406500026 -0.003752199692
  0.099147098090 -0.045510794873  0.022638701192  0.011898700042 -0.006028099506
  0.147214297164 -0.070629592043  0.035433601866  0.018669300066 -0.009470299223
  0.207484396003 -0.106164388039  0.053890502837  0.028466400101 -0.014434198816
  0.255753595073 -0.142554283939  0.073670803879  0.039132700139 -0.019915098367
  0.238950195397 -0.137934284460  0.071338203756  0.037803800134 -0.019132198431
  0.131258197471 -0.001805999797 -0.013502700711 -0.009347700033  0.004917799597
  0.026064399498  0.326282563240 -0.274880414472 -0.166021800588  0.087797392800
  0.000493499990  0.533452739900 -0.559406129452 -0.358842201271  0.191543784292
  0.000115099998  0.250753371750 -0.205145610801 -0.133847400474  0.075869793778
 -0.000092499998 -0.001795899798  0.653549334408  0.716111002536 -0.456071262599
  0.000007700000  0.015056898304  0.614471532351  0.882647203125 -0.579019052517
  0.000005400000 -0.008798299009  0.144926407630 -0.306664101086  0.277401877251
 -0.000000700000  0.005338199399 -0.005500700290 -0.984622303486  1.337841890289
  0.000002500000 -0.002750399690  0.005070900267 -0.290670101029  0.175047085645
 -0.000002000000  0.001188899866 -0.002202600116 -0.014125700050 -1.238962198398
  0.000000700000 -0.000551099938  0.000907600048  0.000957900003 -0.376491869125
 -0.000000300000  0.000251799972 -0.000415400022 -0.000550200002  0.022320998170
  0.000000100000 -0.000073599992  0.000125600007  0.000214100001 -0.007734199366
  0.000000000000  0.000018899998 -0.000031700002 -0.000049500000  0.001764199855
  0.000000000000 -0.000007199999  0.000012100001  0.000019200000 -0.000665999945
   26    4
  1.4998645400e3  3.8337682000e2 97.513682000000 20.524038000000
  498021350.00000000
   70064692.00000000
   14129150.00000000
    3488967.60000000
     998442.51000000
     320583.32000000
     112744.50000000
      42932.94200000
      17533.62100000
       7594.64300000
       3461.17700000
       1652.89370000
        823.66161000
        426.25930000
        227.27865000
        123.55157000
         68.68755900
         38.40830700
         21.10774100
         11.79506800
          6.45091380
          3.49040460
          1.81926090
          0.82582136
          0.37867281
          0.15482424
  0.000008000000 -0.000004300000 -0.000002300000 -0.000001100000
  0.000025400001 -0.000013500000 -0.000007100000 -0.000003500000
  0.000069400004 -0.000037000000 -0.000019499999 -0.000009600000
  0.000173100010 -0.000092400000 -0.000048799998 -0.000023899999
  0.000408000024 -0.000218200000 -0.000115199995 -0.000056599998
  0.000938500055 -0.000503300000 -0.000265999989 -0.000130599996
  0.002150800127 -0.001158500000 -0.000612999975 -0.000300999990
  0.004939800291 -0.002675899999 -0.001417899941 -0.000696399978
  0.011469200675 -0.006265499998 -0.003326899862 -0.001635199948
  0.026850101581 -0.014845499996 -0.007907199672 -0.003888799877
  0.061754203636 -0.034806299991 -0.018628799228 -0.009175799710
  0.131724407756 -0.076379499979 -0.041191598294 -0.020324899357
  0.239069214076 -0.144058099961 -0.078489096749 -0.038850098770
  0.326432419220 -0.201420399946 -0.110510595422 -0.054762998267
  0.279124016435 -0.123876999967 -0.057168097632 -0.026834099151
  0.115628206808  0.188235499949  0.167104193078  0.093055397055
  0.014600600860  0.494241999867  0.442325381676  0.249088392116
  0.000953000056  0.368656099901  0.242790089942  0.117027196296
 -0.000476300028  0.088835099976 -0.414260882839 -0.348073488983
  0.000196800012  0.002855999999 -0.625951474069 -0.601641080957
 -0.000139700008  0.000945800000 -0.211625691233  0.087204897240
  0.000086100005 -0.000556300000 -0.012869099467  0.727805676964
 -0.000033600002  0.000149900000 -0.001491799938  0.407293387109
  0.000014100001 -0.000066700000  0.000410099983  0.043332598628
 -0.000005600000  0.000026500000 -0.000131799995 -0.001085099966
  0.000001400000 -0.000006700000  0.000029999999  0.000270699991
   18    3
  3.0531504000e2 67.585792000000 10.122253000000
      43051.86600000
      10766.68900000
       3659.71110000
       1466.73250000
        654.24146000
        315.54499000
        162.82989000
         88.97691200
         51.13625900
         30.20294900
         17.19786000
          9.54007640
          5.06206360
          2.60397910
          1.25824530
          0.51240583
          0.19639093
        663.65289e-4
  0.000100200005  0.000057100005  0.000026099999
  0.000630500032  0.000360300029  0.000164599996
  0.003238600167  0.001860700152  0.000850299981
  0.014086600725  0.008146200664  0.003732699915
  0.050307702588  0.029467702400  0.013527699690
  0.138267407113  0.082428206714  0.038053599129
  0.266841713727  0.159527412994  0.073539698316
  0.340563417520  0.189880115467  0.086259398025
  0.259882413369  0.065127605305  0.015053399655
  0.117940606067 -0.202589016502 -0.131392796991
  0.024623201267 -0.454523037023 -0.287250493423
  0.000556600029 -0.370191730154 -0.153052696495
  0.000331700017 -0.101039408230  0.334713992336
 -0.000177700009 -0.004529400369  0.553359287329
  0.000047500002 -0.000579900047  0.276336793673
 -0.000022300001  0.000189600015  0.032645599252
  0.000006600000 -0.000064000005 -0.001298999970
 -0.000002600000  0.000020600002  0.000336699992
   13    1
 37.294910000000
       2117.82270000
        713.44183000
        304.39801000
        146.83060000
         75.19324900
         39.85186400
         21.22147600
         11.23668500
          5.79792950
          2.82509320
          1.31447050
          0.57117533
          0.21883797
 -0.000240300016
 -0.002134800142
 -0.011932700793
 -0.045675303036
 -0.127371208466
 -0.256185717028
 -0.356554823699
 -0.315674120982
 -0.142725209486
 -0.021880201454
 -0.000276300018
 -0.000128000009
  0.000030700002
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Cm.AE.Paulovic.35s26p18d13f.7s5p4d2f.96e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        328.83756e10
        309.000220e9
48248284000.00000000
 9936340600.00000000
 2475550800.00000000
  720428000.00000000
  241120930.00000000
   86600941.00000000
   30893502.00000000
   10774206.00000000
    3731439.40000000
    1313693.70000000
     479871.08000000
     184487.44000000
      75267.71900000
      32749.03700000
      15119.20300000
       7260.95380000
       3578.59590000
       1802.90900000
        922.97027000
        472.83284000
        242.40619000
        121.38358000
         70.36617300
         39.27994600
         21.29459500
         12.02961300
          6.67178520
          3.31980660
          1.53657840
          0.76044484
          0.32154622
        785.29814e-4
        306.09801e-4
  0.000002600000 -0.000001200000  0.000000600000  0.000000300000 -0.000000200000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000010300000 -0.000004500000  0.000002200000  0.000001100000 -0.000000600000  0.000000300000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000029200000 -0.000012600000  0.000006200000  0.000003200000 -0.000001600000  0.000000700000 -0.000000200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000070800000 -0.000030400000  0.000014900000  0.000007800000 -0.000004000000  0.000001800000 -0.000000500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000153000000 -0.000065500000  0.000032200000  0.000016900000 -0.000008500000  0.000003800000 -0.000001100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000295700000 -0.000126400000  0.000062000000  0.000032500000 -0.000016500000  0.000007300000 -0.000002100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000528600000 -0.000225500000  0.000110700000  0.000058000000 -0.000029400000  0.000013100000 -0.000003700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000978100000 -0.000416800000  0.000204600000  0.000107200000 -0.000054200000  0.000024200000 -0.000006900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001893700000 -0.000806400000  0.000395800000  0.000207300000 -0.000105000000  0.000046800000 -0.000013300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003681100000 -0.001567700000  0.000769400000  0.000403100000 -0.000204000000  0.000091000000 -0.000025800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.007023800000 -0.002995900000  0.001470900000  0.000770600000 -0.000390100000  0.000174000000 -0.000049300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.012973700000 -0.005555000000  0.002729200000  0.001430000000 -0.000724000000  0.000322900000 -0.000091500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.023046000000 -0.009940400000  0.004890300000  0.002563300000 -0.001297900000  0.000578900000 -0.000164000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.039274000000 -0.017152700000  0.008456800000  0.004435000000 -0.002245800000  0.001001800000 -0.000283900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.064002700000 -0.028512000000  0.014108800000  0.007406500000 -0.003752200000  0.001673800000 -0.000474200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.099147100000 -0.045510800000  0.022638700000  0.011898700000 -0.006028100000  0.002689400000 -0.000762200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.147214300000 -0.070629600000  0.035433600000  0.018669300000 -0.009470400000  0.004225400000 -0.001197100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.207484400000 -0.106164400000  0.053890600000  0.028466400000 -0.014434300000  0.006442400000 -0.001826300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.255753600000 -0.142554400000  0.073670800000  0.039132800000 -0.019915300000  0.008889800000 -0.002518500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.238950100000 -0.137934300000  0.071338300000  0.037803900000 -0.019132300000  0.008543000000 -0.002422100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.131258200000 -0.001806100000 -0.013502800000 -0.009347800000  0.004917800000 -0.002237400000  0.000636000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.026064400000  0.326282600000 -0.274880200000 -0.166022000000  0.087798200000 -0.039542800000  0.011226400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000493500000  0.533452300000 -0.559406000000 -0.358843000000  0.191545300000 -0.086701700000  0.024609600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000115200000  0.250753500000 -0.205145600000 -0.133847400000  0.075870700000 -0.034499500000  0.009867000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000092600000 -0.001796100000  0.653548300000  0.716112100000 -0.456075500000  0.214708900000 -0.061523800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000007800000  0.015057500000  0.614469800000  0.882646500000 -0.579022400000  0.277923000000 -0.079381300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000005300000 -0.008798400000  0.144927300000 -0.306663900000  0.277400600000 -0.142523100000  0.040731500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000000700000  0.005338600000 -0.005500000000 -0.984620000000  1.337856300000 -0.780454700000  0.231853000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000002500000 -0.002750500000  0.005072000000 -0.290667400000  0.175044300000 -0.060153700000  0.014966500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000002000000  0.001189100000 -0.002202700000 -0.014127900000 -1.238970800000  1.188543700000 -0.381472400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000000700000 -0.000551000000  0.000908200000  0.000956800000 -0.376486800000  0.424849300000 -0.153340300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000000300000  0.000251900000 -0.000415400000 -0.000552800000  0.022318900000 -1.047715800000  0.472620700000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000000100000 -0.000073500000  0.000126400000  0.000212600000 -0.007725900000 -0.528244800000  0.398725000000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000000000  0.000018900000 -0.000031700000 -0.000049100000  0.001764800000 -0.004340600000 -0.643479600000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000000000 -0.000007100000  0.000011700000  0.000020200000 -0.000674600000 -0.000699200000 -0.592733700000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  498021350.00000000
   70064692.00000000
   14129150.00000000
    3488967.60000000
     998442.51000000
     320583.32000000
     112744.50000000
      42932.94200000
      17533.62100000
       7594.64300000
       3461.17700000
       1652.89370000
        823.66161000
        426.25930000
        227.27865000
        123.55157000
         68.68755900
         38.40830700
         21.10774100
         11.79506800
          6.45091380
          3.49040460
          1.81926090
          0.82582136
          0.37867281
          0.15482424
  0.000008000000 -0.000004300000 -0.000002300000 -0.000001100000  0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000025400000 -0.000013500000 -0.000007100000 -0.000003500000  0.000001400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000069400000 -0.000037000000 -0.000019500000 -0.000009600000  0.000003800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000173100000 -0.000092400000 -0.000048800000 -0.000023900000  0.000009500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000408000000 -0.000218200000 -0.000115200000 -0.000056600000  0.000022400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000938500000 -0.000503300000 -0.000266000000 -0.000130600000  0.000051700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002150800000 -0.001158500000 -0.000613000000 -0.000301000000  0.000119100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004939800000 -0.002675900000 -0.001417900000 -0.000696400000  0.000275500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.011469200000 -0.006265500000 -0.003326900000 -0.001635200000  0.000647600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.026850100000 -0.014845500000 -0.007907200000 -0.003888800000  0.001538700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.061754200000 -0.034806300000 -0.018628800000 -0.009175800000  0.003637100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.131724400000 -0.076379500000 -0.041191600000 -0.020324900000  0.008044100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.239069200000 -0.144058100000 -0.078489100000 -0.038850100000  0.015428900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.326432500000 -0.201420400000 -0.110510600000 -0.054763000000  0.021652500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.279124000000 -0.123877000000 -0.057168100000 -0.026834100000  0.010668500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.115628200000  0.188235500000  0.167104200000  0.093055400000 -0.038259400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.014600600000  0.494242000000  0.442325500000  0.249088400000 -0.100820600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000953000000  0.368656100000  0.242790100000  0.117027200000 -0.047580500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000476300000  0.088835100000 -0.414260800000 -0.348073500000  0.158236200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000196800000  0.002856000000 -0.625951500000 -0.601641100000  0.272410100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000139700000  0.000945800000 -0.211625700000  0.087204900000 -0.076493200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000086100000 -0.000556300000 -0.012869100000  0.727805800000 -0.496565500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000033600000  0.000149900000 -0.001491800000  0.407293300000 -0.222344100000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000014100000 -0.000066700000  0.000410200000  0.043332600000  0.497790900000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000005600000  0.000026500000 -0.000131800000 -0.001085100000  0.602791400000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000001400000 -0.000006700000  0.000030000000  0.000270700000  0.149324500000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      43051.86600000
      10766.68900000
       3659.71110000
       1466.73250000
        654.24146000
        315.54499000
        162.82989000
         88.97691200
         51.13625900
         30.20294900
         17.19786000
          9.54007640
          5.06206360
          2.60397910
          1.25824530
          0.51240583
          0.19639093
        663.65289e-4
  0.000100200000  0.000057100000  0.000026100000 -0.000006700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000630500000  0.000360300000  0.000164600000 -0.000042200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003238600000  0.001860700000  0.000850300000 -0.000217000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.014086600000  0.008146200000  0.003732700000 -0.000956500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.050307700000  0.029467700000  0.013527700000 -0.003454300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.138267400000  0.082428200000  0.038053600000 -0.009769200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.266841700000  0.159527400000  0.073539700000 -0.018751900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.340563400000  0.189880100000  0.086259400000 -0.022244600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.259882300000  0.065127600000  0.015053400000 -0.002696100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.117940600000 -0.202589000000 -0.131392800000  0.034410200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.024623200000 -0.454523000000 -0.287250600000  0.078695000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000556600000 -0.370191700000 -0.153052700000  0.033682500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000331700000 -0.101039400000  0.334714000000 -0.109099200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000177700000 -0.004529400000  0.553359400000 -0.193312400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000047500000 -0.000579900000  0.276336700000  0.005391800000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000022300000  0.000189600000  0.032645500000  0.352671900000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000006600000 -0.000064000000 -0.001299000000  0.520596200000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000002600000  0.000020600000  0.000336700000  0.328425600000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2117.82270000
        713.44183000
        304.39801000
        146.83060000
         75.19324900
         39.85186400
         21.22147600
         11.23668500
          5.79792950
          2.82509320
          1.31447050
          0.57117533
          0.21883797
 -0.000240300000 -0.000083800000  0.000000000000  0.000000000000
 -0.002134800000 -0.000743900000  0.000000000000  0.000000000000
 -0.011932700000 -0.004180300000  0.000000000000  0.000000000000
 -0.045675300000 -0.016008500000  0.000000000000  0.000000000000
 -0.127371200000 -0.044934800000  0.000000000000  0.000000000000
 -0.256185700000 -0.088298200000  0.000000000000  0.000000000000
 -0.356554800000 -0.112191200000  0.000000000000  0.000000000000
 -0.315674100000 -0.054287400000  0.000000000000  0.000000000000
 -0.142725200000  0.149579400000  0.000000000000  0.000000000000
 -0.021880200000  0.369962100000  0.000000000000  0.000000000000
 -0.000276300000  0.406131000000  0.000000000000  0.000000000000
 -0.000128000000  0.267645500000  1.000000000000  0.000000000000
  0.000030700000  0.090428200000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Bk.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.19el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
BERKELIUM (14s,10p,11d,9f) -> [2s,1p,1d,1f]
********************************************************************************
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on BkQR(8H)
********************************************************************************
    19.0   3
* s-type functions
   14    2
   17262069.85000000
    1297157.04500000
     158591.69610000
      24196.35371000
       4472.61718000
        315.89847910
         53.18527957
         12.82728518
      36451.43251e-4
      26248.34078e-4
       6900.23533e-4
       3293.29911e-4
        771.16096e-4
        297.91417e-4
  0.000176819610 -0.000049965200
  0.000732737060 -0.000207058220
  0.002399880600 -0.000678146430
  0.007452766700 -0.002106204400
  0.018315603000 -0.005175511500
 -0.117267470000  0.033202217000
  0.388124920000 -0.110853170000
 -0.880810140000  0.259201260000
  0.712950410000 -0.233619600000
  0.680054480000 -0.219986570000
 -0.949592210000  0.452101460000
 -0.438197150000  0.336275860000
 -0.015394651000 -0.693844340000
  0.003755324100 -0.532888650000
* p-type functions
   10    1
      10960.36287000
       2061.05493100
        566.80513700
         76.08980897
         15.04118642
          4.22535051
      28993.82657e-4
       6783.03873e-4
       3086.73576e-4
       1254.90202e-4
  0.002424838600
  0.012500307000
  0.034928670000
 -0.138754140000
  0.348925570000
 -0.249215810000
 -0.418819700000
  0.634188380000
  0.462132770000
  0.075099903000
* d-type functions
   11    1
       1156.32800200
        328.25621410
        119.16713130
         22.58809271
         11.58708095
      51476.02061e-4
      26401.14792e-4
       5818.34402e-4
       2478.50037e-4
          0.10169938
        410.64654e-4
  0.002454543200
  0.014153967000
  0.032656094000
 -0.077754022000
 -0.053255116000
  0.108801810000
  0.172639190000
 -0.270606770000
 -0.434028020000
 -0.370895390000
 -0.155453920000
* f-type functions
    9    1
        347.80601920
        116.76163760
         47.44944958
         20.63017724
      44709.81943e-4
      21360.67099e-4
      10026.79042e-4
       4473.85188e-4
       1789.62501e-4
 -0.005584369200
 -0.036280837000
 -0.109040270000
 -0.147633620000
  0.273068520000
  0.405106680000
  0.340547010000
  0.186020950000
  0.051115951000
********************************************************************************
* Core AIMP:Bk DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  7.0206153000e5  1.7773369200e5  6.2436169400e4  2.3735499400e4  9.4284438800e3  3.7778520600e3  1.5733632000e3  7.3336628600e2  2.8038932100e2  1.3830368900e2 28.046587900000
  1.552424700000 18.194316100000  3.069052710000  5.593328500000
  0.047762752382  0.035520509134  0.052815838242  0.074617340129  0.097072416433  0.128625778985  0.220239782600  0.279444213742  0.226063441468  0.729601771066  1.081653363795
  0.020788425335  0.240856287075  0.272183252584  0.598017984924
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  9.7570172000e3  1.8755102600e3  4.8840620000e2  1.3203976600e2 31.397222000000
        328.92027e10
        308.999640e9
48207415000.00000000
 9936340600.00000000
 2463913700.00000000
  718162640.00000000
  241120930.00000000
   86786178.00000000
   30999086.00000000
   10788793.00000000
    3731439.40000000
    1313180.60000000
     479496.33000000
     184415.39000000
      75241.16200000
      32745.81400000
      15119.20300000
       7260.61930000
       3577.89520000
       1802.88650000
        922.83438000
        472.24438000
        243.03673000
        121.36865000
         70.36271700
         39.24197100
         21.30763300
         12.02925900
          6.45346540
          3.30253150
          1.32080830
          0.76137158
          0.32053513
        805.33533e-4
        305.87145e-4
  0.000002900000 -0.000001300000  0.000000600000  0.000000300000 -0.000000200000
  0.000011299999 -0.000004900000  0.000002400000  0.000001300000 -0.000000600000
  0.000031799998 -0.000013799999  0.000006800000  0.000003600000 -0.000001800000
  0.000076799996 -0.000033199998  0.000016300000  0.000008600000 -0.000004400000
  0.000165699991 -0.000071399995  0.000035100000  0.000018399999 -0.000009400000
  0.000316899983 -0.000136199991  0.000067000000  0.000035199999 -0.000017900000
  0.000563999971 -0.000242099984  0.000119000000  0.000062499998 -0.000031800000
  0.001037899946 -0.000444999970  0.000218600000  0.000114799996 -0.000058400000
  0.002006999895 -0.000859799943  0.000422399999  0.000221799993 -0.000112799999
  0.003897199797 -0.001669699889  0.000820399998  0.000430699985 -0.000219099999
  0.007400499614 -0.003175399789  0.001560799997  0.000819399972 -0.000416899997
  0.013617799289 -0.005865799610  0.002885199995  0.001514999949 -0.000770899995
  0.024077698743 -0.010448099305  0.005146199990  0.002703199909 -0.001375599991
  0.040825297869 -0.017941398807  0.008856599983  0.004654599843 -0.002368999985
  0.066220296544 -0.029686398026  0.014708499973  0.007738099739 -0.003939299975
  0.101951494679 -0.047117396867  0.023470699956  0.012362599582 -0.006296399960
  0.150431592148 -0.072653195169  0.036499299932  0.019274199349 -0.009821699937
  0.210221489027 -0.108348892795  0.055086999897  0.029160699015 -0.014873699904
  0.256001886638 -0.143193590478  0.074061999862  0.039430698668 -0.020136499871
  0.234753887747 -0.134148591080  0.069131299871  0.036638498762 -0.018699099880
  0.125400593455  0.012003899202 -0.023142299957 -0.014871899498  0.007994999949
  0.023548798771  0.341605077284 -0.290644899458 -0.176525594036  0.093529399399
  0.000446599977  0.526425064994 -0.557194998960 -0.359135187866  0.193769298756
  0.000025799999  0.237244584224 -0.167251499688 -0.104379996473  0.056941399634
 -0.000009699999 -0.006086199595  0.681413398728  0.762136374250 -0.484986496885
 -0.000049499997  0.015347398979  0.587336698904  0.844549871465 -0.567746596354
  0.000045699998 -0.008998799402  0.127355899762 -0.380541387143  0.367233697642
 -0.000026299999  0.005237399652 -0.004724399991 -0.982800166794  1.350129291329
  0.000015199999 -0.002624799825  0.004103599992 -0.249320591576  0.061837799603
 -0.000007400000  0.001134499925 -0.001844799997 -0.003487499882 -1.294168891688
  0.000003600000 -0.000571499962  0.000819199998 -0.001853699937 -0.329882797881
 -0.000002200000  0.000344699977 -0.000493699999  0.000933099968  0.077081399505
  0.000000600000 -0.000085699994  0.000126800000 -0.000166399994 -0.016098399897
 -0.000000100000  0.000020999999 -0.000030500000  0.000044199999  0.003552099977
  0.000000000000 -0.000007599999  0.000011100000 -0.000015799999 -0.001276699992
   26    4
  1.5389721600e3  3.9492898000e2  1.0105788000e2 21.368124000000
  497669330.00000000
   69915323.00000000
   14087366.00000000
    3477698.00000000
     995698.96000000
     319983.83000000
     112635.40000000
      42923.41300000
      17537.00500000
       7596.02520000
       3461.18600000
       1652.68640000
        823.53396000
        426.24286000
        227.26215000
        123.46845000
         68.72021800
         38.42982100
         21.10406200
         11.81751500
          6.45328890
          3.49480930
          1.82268460
          0.82754257
          0.37852822
          0.15436163
  0.000008600000 -0.000004600000 -0.000002400000 -0.000001200000
  0.000027100001 -0.000014400000 -0.000007600000 -0.000003800000
  0.000073700002 -0.000039400001 -0.000020800001 -0.000010300001
  0.000183500004 -0.000098100003 -0.000051900003 -0.000025600001
  0.000431300010 -0.000231100007 -0.000122400006 -0.000060400003
  0.000989500023 -0.000531800015 -0.000281900014 -0.000139100007
  0.002261200053 -0.001220600034 -0.000647700032 -0.000319900016
  0.005178000120 -0.002811400079 -0.001494100075 -0.000737900038
  0.011987100278 -0.006564500185 -0.003496100175 -0.001728200088
  0.027973000650 -0.015507900437 -0.008285300414 -0.004097500209
  0.064054501488 -0.036209901020 -0.019442100973 -0.009632500490
  0.135732203153 -0.078958302224 -0.042720102137 -0.021196401079
  0.243943805666 -0.147457604154 -0.080613604032 -0.040144702044
  0.327903107616 -0.202202705696 -0.111145005560 -0.055343502817
  0.273738906358 -0.114946703238 -0.051127402557 -0.023844601214
  0.109106902534  0.206303905812  0.182243209116  0.102268805206
  0.012741300296  0.498626514047  0.448990622459  0.254193412940
  0.000934400022  0.354705909993  0.217519610881  0.101577905171
 -0.000510900012  0.080537102269 -0.444905422255 -0.379159319302
  0.000221300005  0.002166300061 -0.613320930679 -0.594872630283
 -0.000149100003  0.000834400024 -0.192779809643  0.144457307354
  0.000091300002 -0.000512600014 -0.009950800498  0.733565637344
 -0.000036200001  0.000135300004 -0.001520900076  0.374490619064
  0.000014900000 -0.000059400002  0.000434800022  0.036774701872
 -0.000005900000  0.000023500001 -0.000143600007 -0.000832600042
  0.000001500000 -0.000005900000  0.000032500002  0.000196500010
   18    3
  3.1446510000e2 70.207708000000 10.604702000000
      45059.76200000
      11182.07000000
       3725.88420000
       1473.59420000
        653.58776000
        315.01255000
        162.40470000
         88.90663700
         51.47744500
         30.56767200
         17.37299400
          9.64881750
          5.12389380
          2.63237000
          1.26623720
          0.49650708
          0.18244067
        604.30199e-4
  0.000099100000  0.000056799997  0.000026099998
  0.000636400001  0.000365199980  0.000168199989
  0.003366400006  0.001943699895  0.000895499941
  0.014828800028  0.008613599534  0.003977999738
  0.052734500101  0.031059898320  0.014377899051
  0.143563200275  0.085983695348  0.040012897360
  0.273671300524  0.164328391110  0.076374394961
  0.339027600649  0.187846089838  0.085687394347
  0.251249000481  0.056899896922  0.010571099303
  0.114360100219 -0.212292288516 -0.138499490863
  0.023002800044 -0.460595275083 -0.294443580574
  0.000512500001 -0.359709380541 -0.138994490830
  0.000253300000 -0.094273294900  0.356914876453
 -0.000146900000 -0.003715699799  0.550189363701
  0.000030400000 -0.000608599967  0.260411482819
 -0.000015900000  0.000181099990  0.027612398178
  0.000004400000 -0.000061699997 -0.001523399899
 -0.000001800000  0.000021499999  0.000389599974
   13    1
 39.220066000000
       2112.06940000
        713.21228000
        304.06689000
        146.84618000
         75.21075500
         39.84743300
         21.23829400
         11.24708400
          5.78972640
          2.82420640
          1.31385840
          0.57146932
          0.22045794
 -0.000259000010
 -0.002293000085
 -0.012752300470
 -0.048202901778
 -0.133454204922
 -0.263668109724
 -0.359529413259
 -0.308841711390
 -0.131499504850
 -0.018116400668
 -0.000408900015
 -0.000106000004
 -0.000009200000
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Bk.AE.Paulovic.35s26p18d13f.7s5p4d2f.97e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        328.92027e10
        308.999640e9
48207415000.00000000
 9936340600.00000000
 2463913700.00000000
  718162640.00000000
  241120930.00000000
   86786178.00000000
   30999086.00000000
   10788793.00000000
    3731439.40000000
    1313180.60000000
     479496.33000000
     184415.39000000
      75241.16200000
      32745.81400000
      15119.20300000
       7260.61930000
       3577.89520000
       1802.88650000
        922.83438000
        472.24438000
        243.03673000
        121.36865000
         70.36271700
         39.24197100
         21.30763300
         12.02925900
          6.45346540
          3.30253150
          1.32080830
          0.76137158
          0.32053513
        805.33533e-4
        305.87145e-4
  0.000002900000 -0.000001300000  0.000000600000  0.000000300000 -0.000000200000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000011300000 -0.000004900000  0.000002400000  0.000001300000 -0.000000600000  0.000000300000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000031800000 -0.000013800000  0.000006800000  0.000003600000 -0.000001800000  0.000000800000  0.000000200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000076800000 -0.000033200000  0.000016300000  0.000008600000 -0.000004400000  0.000002000000  0.000000600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000165700000 -0.000071400000  0.000035100000  0.000018400000 -0.000009400000  0.000004200000  0.000001200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000316900000 -0.000136200000  0.000067000000  0.000035200000 -0.000017900000  0.000008000000  0.000002300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000564000000 -0.000242100000  0.000119000000  0.000062500000 -0.000031800000  0.000014200000  0.000004000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001037900000 -0.000445000000  0.000218600000  0.000114800000 -0.000058400000  0.000026100000  0.000007400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002007000000 -0.000859800000  0.000422400000  0.000221800000 -0.000112800000  0.000050400000  0.000014200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003897200000 -0.001669700000  0.000820400000  0.000430700000 -0.000219100000  0.000098000000  0.000027700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.007400500000 -0.003175400000  0.001560800000  0.000819400000 -0.000416900000  0.000186400000  0.000052600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.013617800000 -0.005865800000  0.002885200000  0.001515000000 -0.000770900000  0.000344700000  0.000097400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.024077700000 -0.010448100000  0.005146200000  0.002703200000 -0.001375600000  0.000615100000  0.000173700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.040825300000 -0.017941400000  0.008856600000  0.004654600000 -0.002369000000  0.001059400000  0.000299200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.066220300000 -0.029686400000  0.014708500000  0.007738100000 -0.003939300000  0.001761500000  0.000497500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.101951500000 -0.047117400000  0.023470600000  0.012362700000 -0.006296400000  0.002816500000  0.000795600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.150431600000 -0.072653200000  0.036499300000  0.019274200000 -0.009821700000  0.004391900000  0.001240300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.210221500000 -0.108349000000  0.055087000000  0.029160800000 -0.014873700000  0.006657900000  0.001880900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.256001900000 -0.143193700000  0.074061900000  0.039430800000 -0.020136500000  0.009004200000  0.002543100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.234753900000 -0.134148600000  0.069131300000  0.036638600000 -0.018699100000  0.008384600000  0.002368300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.125400500000  0.012003800000 -0.023142200000 -0.014871900000  0.007995000000 -0.003661200000 -0.001033700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.023548800000  0.341605200000 -0.290644500000 -0.176526000000  0.093529500000 -0.042173800000 -0.011940400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000446600000  0.526425000000 -0.557194500000 -0.359136000000  0.193769200000 -0.088120300000 -0.024919200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000026000000  0.237244500000 -0.167252000000 -0.104379700000  0.056941400000 -0.025433200000 -0.007300200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000009800000 -0.006086200000  0.681412100000  0.762137800000 -0.484986300000  0.228405600000  0.065323200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000049400000  0.015347500000  0.587336000000  0.844550500000 -0.567746500000  0.275555200000  0.078334300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000045700000 -0.008998800000  0.127357400000 -0.380543400000  0.367234000000 -0.193747900000 -0.055215800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000026300000  0.005237500000 -0.004724100000 -0.982797400000  1.350127500000 -0.793406300000 -0.235648000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000015200000 -0.002624700000  0.004104500000 -0.249322700000  0.061842200000  0.024596200000  0.011806300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000007400000  0.001134600000 -0.001845800000 -0.003487400000 -1.294173600000  1.257533100000  0.402847200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000003600000 -0.000571500000  0.000819700000 -0.001852500000 -0.329882700000  0.340155800000  0.129601000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000002100000  0.000344700000 -0.000494100000  0.000933300000  0.077074900000 -1.130163700000 -0.517211400000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000000600000 -0.000085800000  0.000127400000 -0.000165400000 -0.016089400000 -0.466866500000 -0.366564500000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000000100000  0.000020900000 -0.000030900000  0.000044100000  0.003566000000 -0.003615600000  0.677406200000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000000000 -0.000007500000  0.000011100000 -0.000018900000 -0.001287400000 -0.000523900000  0.563500100000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  497669330.00000000
   69915323.00000000
   14087366.00000000
    3477698.00000000
     995698.96000000
     319983.83000000
     112635.40000000
      42923.41300000
      17537.00500000
       7596.02520000
       3461.18600000
       1652.68640000
        823.53396000
        426.24286000
        227.26215000
        123.46845000
         68.72021800
         38.42982100
         21.10406200
         11.81751500
          6.45328890
          3.49480930
          1.82268460
          0.82754257
          0.37852822
          0.15436163
  0.000008600000 -0.000004600000 -0.000002400000 -0.000001200000  0.000000500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000027100000 -0.000014400000 -0.000007600000 -0.000003800000  0.000001500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000073700000 -0.000039400000 -0.000020800000 -0.000010300000  0.000004100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000183500000 -0.000098100000 -0.000051900000 -0.000025600000  0.000010100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000431300000 -0.000231100000 -0.000122400000 -0.000060400000  0.000023900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000989500000 -0.000531800000 -0.000281900000 -0.000139100000  0.000055000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002261200000 -0.001220600000 -0.000647700000 -0.000319900000  0.000126600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005178000000 -0.002811400000 -0.001494100000 -0.000737900000  0.000291900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.011987100000 -0.006564500000 -0.003496100000 -0.001728200000  0.000684400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.027973000000 -0.015507900000 -0.008285300000 -0.004097500000  0.001620900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.064054500000 -0.036209900000 -0.019442100000 -0.009632500000  0.003817900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.135732200000 -0.078958300000 -0.042720100000 -0.021196400000  0.008387100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.243943800000 -0.147457600000 -0.080613600000 -0.040144700000  0.015943700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.327903100000 -0.202202700000 -0.111145000000 -0.055343500000  0.021869000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.273738900000 -0.114946700000 -0.051127400000 -0.023844600000  0.009483000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.109106900000  0.206303900000  0.182243200000  0.102268800000 -0.042070300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.012741300000  0.498626500000  0.448990600000  0.254193400000 -0.102820300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000934400000  0.354705900000  0.217519700000  0.101577900000 -0.041254300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000510900000  0.080537100000 -0.444905500000 -0.379159300000  0.173075000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000221300000  0.002166300000 -0.613321000000 -0.594872600000  0.268876100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000149100000  0.000834400000 -0.192779700000  0.144457400000 -0.109089900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000091300000 -0.000512600000 -0.009950800000  0.733565600000 -0.505834100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000036200000  0.000135300000 -0.001520900000  0.374490600000 -0.182544100000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000014900000 -0.000059400000  0.000434800000  0.036774800000  0.523627100000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000005900000  0.000023500000 -0.000143600000 -0.000832600000  0.582753300000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000001500000 -0.000005900000  0.000032500000  0.000196500000  0.134811200000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      45059.76200000
      11182.07000000
       3725.88420000
       1473.59420000
        653.58776000
        315.01255000
        162.40470000
         88.90663700
         51.47744500
         30.56767200
         17.37299400
          9.64881750
          5.12389380
          2.63237000
          1.26623720
          0.49650708
          0.18244067
        604.30199e-4
  0.000099100000  0.000056800000  0.000026100000 -0.000006300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000636400000  0.000365200000  0.000168200000 -0.000040500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003366400000  0.001943700000  0.000895500000 -0.000214700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.014828800000  0.008613600000  0.003978000000 -0.000957900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.052734500000  0.031059900000  0.014377900000 -0.003448700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.143563200000  0.085983700000  0.040012900000 -0.009654200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.273671300000  0.164328400000  0.076374400000 -0.018284900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.339027600000  0.187846000000  0.085687400000 -0.020793700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.251249000000  0.056899900000  0.010571100000 -0.001300800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.114360100000 -0.212292300000 -0.138499500000  0.033943600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.023002800000 -0.460595300000 -0.294443600000  0.076100300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000512500000 -0.359709400000 -0.138994500000  0.027032700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000253300000 -0.094273200000  0.356914900000 -0.108860200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000146900000 -0.003715700000  0.550189400000 -0.179863700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000030400000 -0.000608600000  0.260411400000  0.019845900000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000015900000  0.000181100000  0.027612300000  0.358952700000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000004400000 -0.000061700000 -0.001523300000  0.517826800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000001800000  0.000021500000  0.000389600000  0.329566000000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2112.06940000
        713.21228000
        304.06689000
        146.84618000
         75.21075500
         39.84743300
         21.23829400
         11.24708400
          5.78972640
          2.82420640
          1.31385840
          0.57146932
          0.22045794
 -0.000259000000 -0.000092400000  0.000000000000  0.000000000000
 -0.002293000000 -0.000816100000  0.000000000000  0.000000000000
 -0.012752300000 -0.004568800000  0.000000000000  0.000000000000
 -0.048202900000 -0.017262000000  0.000000000000  0.000000000000
 -0.133454300000 -0.048153400000  0.000000000000  0.000000000000
 -0.263668100000 -0.092528800000  0.000000000000  0.000000000000
 -0.359529300000 -0.114644200000  0.000000000000  0.000000000000
 -0.308841800000 -0.046277000000  0.000000000000  0.000000000000
 -0.131499500000  0.170287400000  0.000000000000  0.000000000000
 -0.018116400000  0.381460100000  0.000000000000  0.000000000000
 -0.000408900000  0.396781000000  0.000000000000  0.000000000000
 -0.000106000000  0.251067900000  1.000000000000  0.000000000000
 -0.000009200000  0.082232200000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Cf.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.20el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
CALIFORNIUM (14s,10p,11d,9f) -> [2s,1p,1d,1f]
********************************************************************************
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on CfQR(7K)
********************************************************************************
    20.0   3
* s-type functions
   14    2
   27285276.30000000
    2101089.76600000
     191521.34980000
      25686.97330000
       4638.46205700
        326.86296020
         54.69167595
         13.31727071
      43077.82459e-4
      29321.68995e-4
       7184.10677e-4
       3399.54929e-4
        810.33505e-4
        312.00014e-4
  0.000137036610 -0.000038559615
  0.000630065730 -0.000177291120
  0.002453564700 -0.000690386050
  0.007665936800 -0.002157280000
  0.018337522000 -0.005159782600
 -0.117757850000  0.033202369000
  0.394174630000 -0.112142610000
 -0.897026680000  0.263094090000
  0.382851800000 -0.125380120000
  1.020323600000 -0.329753840000
 -0.953732900000  0.451434780000
 -0.433641700000  0.338298540000
 -0.014326817000 -0.687656230000
  0.003321992000 -0.541798530000
* p-type functions
   10    1
      10954.52713000
       2081.39449900
        577.28274230
         78.47509064
         15.49574720
      46537.83287e-4
      31022.51875e-4
       7082.10502e-4
       3217.15069e-4
       1264.49992e-4
  0.002562148000
  0.012926736000
  0.035337065000
 -0.140982150000
  0.355634690000
 -0.193031980000
 -0.480324610000
  0.623819000000
  0.473334640000
  0.073535591000
* d-type functions
   11    1
       1188.72678500
        337.07765050
        122.54836220
         23.40441008
         12.30406524
      52935.72352e-4
      27405.99659e-4
       5848.13567e-4
       2473.26182e-4
       1002.48748e-4
          0.03820183
 -0.002398260800
 -0.013768077000
 -0.031854342000
  0.073844758000
  0.051707113000
 -0.103054320000
 -0.164517720000
  0.253234840000
  0.415140480000
  0.393445080000
  0.179959600000
* f-type functions
    9    1
        359.06528350
        121.00539860
         49.23511132
         21.45470078
      46712.25348e-4
          2.22203495
      10356.36215e-4
       4606.46003e-4
       1845.52338e-4
 -0.005666342000
 -0.036762839000
 -0.111140180000
 -0.151090330000
  0.280500560000
  0.411300980000
  0.337147460000
  0.177556340000
  0.046002979000
********************************************************************************
* Core AIMP:Cf DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  7.0500742000e5  1.7912947300e5  6.3034862300e4  2.3894978200e4  9.4683036000e3  3.8050149300e3  1.5990839300e3  7.4993439500e2  2.8774252000e2  1.4239842700e2 28.789968500000
 18.384863300000  3.144840600000  5.772623230000  1.564168090000
  0.046137244765  0.034117532198  0.050764329080  0.071729852193  0.092725167140  0.122640357044  0.209604164004  0.262839901580  0.214130836486  0.692892744140  1.051002648352
  0.206119699471  0.252716294090  0.573809857943  0.018769371513
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  1.0010592800e4  1.9315404400e3  5.0408290000e2  1.3660888000e2 32.283236000000
        328.92027e10
        308.969460e9
48169758000.00000000
 9936159100.00000000
 2463913700.00000000
  718162640.00000000
  241120930.00000000
   86786178.00000000
   30999086.00000000
   10789847.00000000
    3732897.30000000
    1313180.70000000
     479496.33000000
     184415.39000000
      75241.16200000
      32745.81400000
      15119.15600000
       7260.64150000
       3577.89390000
       1802.88520000
        922.83438000
        472.24439000
        243.03673000
        121.36865000
         70.36271700
         39.24197300
         21.30763300
         12.02925900
          6.45346540
          3.30252900
          1.32080830
          0.76137100
          0.32053513
        805.33502e-4
        305.87168e-4
  0.000003200000 -0.000001400000  0.000000700000  0.000000400000 -0.000000200000
  0.000012400000 -0.000005400000  0.000002700000  0.000001400000 -0.000000700000
  0.000034600001 -0.000015100000  0.000007400000  0.000003900000 -0.000002000000
  0.000083200003 -0.000036199999  0.000017800000  0.000009400000 -0.000004800000
  0.000178600007 -0.000077399999  0.000038099999  0.000020100000 -0.000010200000
  0.000340100013 -0.000147099997  0.000072399999  0.000038100000 -0.000019500001
  0.000603200024 -0.000260499995  0.000128199998  0.000067400000 -0.000034400001
  0.001105800044 -0.000476899991  0.000234599997  0.000123400000 -0.000063100002
  0.002130900085 -0.000918399983  0.000451699994  0.000237600000 -0.000121400003
  0.004119100163 -0.001775399967  0.000873399987  0.000459399999 -0.000234700006
  0.007793400309 -0.003364099938  0.001655499976  0.000870899999 -0.000444900012
  0.014286100567 -0.006190899886  0.003048599956  0.001603999998 -0.000819500021
  0.025139700997 -0.010975599798  0.005412399922  0.002848699996 -0.001455600038
  0.042435501683 -0.018765399655  0.009274399867  0.004884099993 -0.002496100065
  0.068477202716 -0.030896099431  0.015327499780  0.008080099988 -0.004130500108
  0.104831004157 -0.048772299102  0.024325899652  0.012839799981 -0.006566400172
  0.153626106092 -0.074708798625  0.037588399462  0.019890199971 -0.010178200267
  0.212822108440 -0.110417297968  0.056207599195  0.029817699957 -0.015271400400
  0.256004410152 -0.143743397355  0.074434498934  0.039703799942 -0.020362000533
  0.230479209140 -0.129680297614  0.066397199049  0.035193499949 -0.018020600472
  0.119532104740  0.025378799533 -0.032444599535 -0.020305799971  0.010873500285
  0.021294000844  0.357612593419 -0.307550395595 -0.187642999728  0.099951902617
  0.000407300016  0.519659990437 -0.554747792054 -0.359649799478  0.195115205109
 -0.000035700001  0.220309795946 -0.123212398235 -0.068300999901  0.036230300949
  0.000042400002 -0.007066699870  0.701504289952  0.799626398840 -0.514036013460
 -0.000082800003  0.013810999746  0.561679991955  0.807210198829 -0.546179014302
  0.000068800003 -0.008060699852  0.110755998414 -0.460666599332  0.448217511737
 -0.000041000002  0.004650499914 -0.003817299945 -0.956118598613  1.363619135707
  0.000022400001 -0.002318799957  0.003205899954 -0.216451999686 -0.083452702185
 -0.000010500000  0.001001199982 -0.001470099979 -0.002706199996 -1.260229633000
  0.000005200000 -0.000503499991  0.000637699991 -0.001408999998 -0.283943807435
 -0.000003100000  0.000303499994 -0.000383299995  0.000667799999  0.064816701697
  0.000000800000 -0.000075499999  0.000098799999 -0.000106400000 -0.013376900350
 -0.000000200000  0.000018400000 -0.000023600000  0.000028700000  0.002904100076
  0.000000100000 -0.000006700000  0.000008600000 -0.000010200000 -0.001042000027
   26    4
  1.5782680400e3  4.0622454000e2  1.0420472000e2 21.782332000000
  495751680.00000000
   69639169.00000000
   14029526.00000000
    3462831.10000000
     992012.77000000
     319189.27000000
     112496.16000000
      42912.49400000
      17541.81500000
       7597.76880000
       3461.18600000
       1652.41620000
        823.38063000
        426.22371000
        227.23604000
        123.41102000
         68.74408200
         38.44034300
         21.10831000
         11.84414200
          6.46812440
          3.49929030
          1.82204430
          0.83093956
          0.37613038
          0.15435246
  0.000009100000 -0.000004900000 -0.000002600000 -0.000001300000
  0.000028799999 -0.000015400000 -0.000008200001 -0.000004000000
  0.000078399997 -0.000041899999 -0.000022300002 -0.000011000000
  0.000194599991 -0.000104299998 -0.000055400006 -0.000027400000
  0.000456199980 -0.000244899996 -0.000130100014 -0.000064500000
  0.001043099953 -0.000561799990 -0.000298600032 -0.000148000000
  0.002376499894 -0.001285599977 -0.000684200074 -0.000339200000
  0.005424899758 -0.002952199946 -0.001573300170 -0.000780200001
  0.012522199441 -0.006874199875 -0.003671800397 -0.001822500002
  0.029131598701 -0.016193299705 -0.008676800937 -0.004308300005
  0.066411997038 -0.037653499314 -0.020279802191 -0.010090300013
  0.139795993765 -0.081581698514 -0.044275704784 -0.022056000028
  0.248742088905 -0.150820097253 -0.082722108938 -0.041379000052
  0.329106185320 -0.202694496308 -0.111575112055 -0.055733900070
  0.268139288040 -0.105545698078 -0.044713804831 -0.020583000026
  0.102741295417  0.224319295914  0.197613421351  0.111569300140
  0.011137799503  0.502024390856  0.454398249095  0.258153000324
  0.000873499961  0.340486293799  0.191144320652  0.084951600107
 -0.000508499977  0.072682998676 -0.474079451221 -0.409425000514
  0.000221999990  0.001710199969 -0.598426764656 -0.583171700732
 -0.000144399994  0.000678599988 -0.175269318937  0.200358100251
  0.000088099996 -0.000439999992 -0.007934100857  0.732922700920
 -0.000035099998  0.000107799998 -0.001452800157  0.344224300432
  0.000014399999 -0.000048299999  0.000405900044  0.032426000041
 -0.000005600000  0.000018600000 -0.000137000015 -0.000296400000
  0.000001400000 -0.000004900000  0.000030600003  0.000141500000
   18    3
  3.2328822000e2 72.408358000000 10.684805000000
      40561.83200000
      10077.65800000
       3459.06950000
       1410.59260000
        643.14555000
        317.26435000
        165.53876000
         89.74490400
         49.96041800
         28.28653000
         16.30697400
          9.73758190
          6.18268850
          3.82552030
          2.35073060
          1.39067150
          0.75756491
          0.32775210
  0.000123699999  0.000071200002 -0.000032899999
  0.000782799995  0.000451700010 -0.000208699991
  0.003907199975  0.002265600050 -0.001048899957
  0.016223799895  0.009479000208 -0.004393999820
  0.054543199646  0.032271300707 -0.015014499387
  0.143041299071  0.086163601888 -0.040235198356
  0.273837698221  0.164809403611 -0.077026196853
  0.353887597701  0.196520604306 -0.089440996346
  0.261410698302  0.034292900751  0.003496499857
  0.094992299383 -0.275889606045  0.179526992665
  0.013679899911 -0.439113709622  0.277176088675
  0.000717599995 -0.282448406189  0.109804695514
  0.000107299999 -0.097037702126 -0.186767992369
 -0.000103199999 -0.022703400497 -0.381819984399
  0.000013700000 -0.000217500005 -0.361140185244
 -0.000027600000 -0.000648800014 -0.205712191595
  0.000000900000  0.000129400003 -0.058271497619
 -0.000002200000 -0.000029300001 -0.004884399800
   13    1
 40.719308000000
       2069.96330000
        705.21611000
        304.24182000
        146.85433000
         75.14715600
         39.89830800
         21.27824900
         11.28789400
          5.83177410
          2.84603800
          1.30757350
          0.55123261
          0.20257310
 -0.000291700020
 -0.002477800167
 -0.013487500909
 -0.051119003446
 -0.139373209395
 -0.270197718215
 -0.362287824423
 -0.300144820234
 -0.121802608211
 -0.015868501070
 -0.000438600030
 -0.000156300011
 -0.000034400002
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Cf.AE.Paulovic.35s26p18d13f.7s5p4d2f.98e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        328.92027e10
        308.984550e9
48169758000.00000000
 9943924800.00000000
 2467766600.00000000
  718162640.00000000
  241120930.00000000
   86786178.00000000
   30999086.00000000
   10789715.00000000
    3732168.30000000
    1313052.50000000
     479510.75000000
     184424.39000000
      75239.32500000
      32746.28300000
      15119.20200000
       7260.55290000
       3577.88840000
       1802.88520000
        922.83438000
        472.24439000
        243.03673000
        121.36865000
         70.36271700
         39.24197300
         21.30763300
         12.02925000
          6.45346540
          3.30252900
          1.32080830
          0.76137096
          0.32053513
        805.33489e-4
        305.87134e-4
  0.000003200000 -0.000001400000  0.000000700000  0.000000400000 -0.000000200000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000012400000 -0.000005400000  0.000002700000  0.000001400000 -0.000000700000  0.000000300000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000034600000 -0.000015100000  0.000007400000  0.000003900000 -0.000002000000  0.000000900000  0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000083100000 -0.000036100000  0.000017800000  0.000009400000 -0.000004800000  0.000002100000  0.000000600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000178600000 -0.000077400000  0.000038100000  0.000020100000 -0.000010300000  0.000004600000  0.000001300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000340500000 -0.000147300000  0.000072500000  0.000038100000 -0.000019500000  0.000008700000  0.000002500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000602900000 -0.000260400000  0.000128100000  0.000067400000 -0.000034500000  0.000015400000  0.000004300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001106000000 -0.000477000000  0.000234700000  0.000123400000 -0.000063100000  0.000028300000  0.000008000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002130500000 -0.000918200000  0.000451700000  0.000237600000 -0.000121500000  0.000054400000  0.000015300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004119900000 -0.001775800000  0.000873600000  0.000459500000 -0.000234900000  0.000105200000  0.000029700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.007794700000 -0.003364700000  0.001655700000  0.000871000000 -0.000445300000  0.000199400000  0.000056200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.014284700000 -0.006190200000  0.003048300000  0.001603900000 -0.000819900000  0.000367300000  0.000103500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.025137000000 -0.010974400000  0.005411800000  0.002848500000 -0.001456400000  0.000652400000  0.000183900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.042436900000 -0.018765900000  0.009274700000  0.004884500000 -0.002497700000  0.001118900000  0.000315300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.068480300000 -0.030897400000  0.015328100000  0.008080800000 -0.004133200000  0.001851600000  0.000521800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.104823500000 -0.048768600000  0.024324100000  0.012839500000 -0.006569900000  0.002943900000  0.000829600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.153635600000 -0.074712900000  0.037590400000  0.019892200000 -0.010184900000  0.004563300000  0.001286300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.212818100000 -0.110415000000  0.056206500000  0.029818600000 -0.015280300000  0.006850400000  0.001930100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.256005000000 -0.143742600000  0.074433800000  0.039705200000 -0.020374200000  0.009131600000  0.002576100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.230476500000 -0.129678500000  0.066396800000  0.035195200000 -0.018031200000  0.008088400000  0.002273300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.119535000000  0.025376500000 -0.032443600000 -0.020307000000  0.010879300000 -0.004945500000 -0.001379900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.021291900000  0.357608600000 -0.307542000000 -0.187645400000  0.100010500000 -0.045251500000 -0.012815500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000409200000  0.519654000000 -0.554743300000 -0.359667100000  0.195230700000 -0.088874200000 -0.025010100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000037700000  0.220322000000 -0.123249500000 -0.068343800000  0.036288100000 -0.016222600000 -0.004868400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000044300000 -0.007068200000  0.701525800000  0.799714200000 -0.514416100000  0.243880100000  0.070026600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000084300000  0.013812700000  0.561673900000  0.807343200000 -0.546544300000  0.265321200000  0.074502700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000069800000 -0.008062900000  0.110769100000 -0.461052200000  0.448689900000 -0.236505900000 -0.066140700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000041700000  0.004651400000 -0.003822900000 -0.955842100000  1.364344900000 -0.815032800000 -0.244092300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000022800000 -0.002319100000  0.003207100000 -0.216497700000 -0.082697100000  0.141396000000  0.050780500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000010700000  0.001001500000 -0.001473600000 -0.002720200000 -1.263666300000  1.243688200000  0.394721800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000005300000 -0.000503700000  0.000639900000 -0.001389900000 -0.281674600000  0.229441900000  0.098457800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000003200000  0.000303600000 -0.000383900000  0.000669000000  0.064947300000 -1.108562900000 -0.529115500000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000000800000 -0.000075400000  0.000099500000 -0.000105800000 -0.013252300000 -0.428863700000 -0.334150100000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000000200000  0.000018500000 -0.000023900000  0.000028400000  0.002879000000 -0.000010200000  0.719284100000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000100000 -0.000006800000  0.000008200000 -0.000008500000 -0.001023000000 -0.001438500000  0.519362100000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  498937260.00000000
   70092142.00000000
   14130334.00000000
    3491145.90000000
     997440.00000000
     319499.96000000
     112623.75000000
      42940.75500000
      17533.37900000
       7596.21750000
       3461.10200000
       1652.81870000
        823.55159000
        426.29643000
        227.28495000
        123.38511000
         68.75785000
         38.45505000
         21.08291800
         11.81653900
          6.46660290
          3.48962420
          1.81820420
          0.83414024
          0.37741286
          0.15531248
  0.000009100000 -0.000004800000 -0.000002600000 -0.000001300000  0.000000500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000028700000 -0.000015300000 -0.000008100000 -0.000004000000  0.000001600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000077900000 -0.000041700000 -0.000022100000 -0.000011000000  0.000004300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000193400000 -0.000103600000 -0.000055000000 -0.000027300000  0.000010800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000456100000 -0.000244900000 -0.000130100000 -0.000064500000  0.000025500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001044300000 -0.000562400000 -0.000299000000 -0.000148300000  0.000058600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002372100000 -0.001283200000 -0.000682900000 -0.000339000000  0.000134000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005430600000 -0.002955300000 -0.001575000000 -0.000781900000  0.000309000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.012531600000 -0.006879200000 -0.003674600000 -0.001826000000  0.000722200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.029126800000 -0.016191000000 -0.008676000000 -0.004313000000  0.001704500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.066394100000 -0.037642200000 -0.020274600000 -0.010099200000  0.003997500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.139727200000 -0.081543700000 -0.044257000000 -0.022073000000  0.008726800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.248752200000 -0.150814400000 -0.082721700000 -0.041424700000  0.016427500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.329051600000 -0.202691900000 -0.111581900000 -0.055808000000  0.022041600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.268234800000 -0.105551700000 -0.044713700000 -0.020592100000  0.008124500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.102817600000  0.224291600000  0.197621200000  0.111678800000 -0.045783300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.011067000000  0.501644500000  0.454114800000  0.258371100000 -0.104619900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000913700000  0.340860600000  0.191397000000  0.085051700000 -0.033863700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000533100000  0.072798300000 -0.476522000000 -0.411856700000  0.187507200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000238800000  0.001535200000 -0.597204900000 -0.583782500000  0.264714300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000154300000  0.000739100000 -0.173697900000  0.204580000000 -0.146527900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000093600000 -0.000470700000 -0.008487800000  0.736164600000 -0.507199500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000038000000  0.000123600000 -0.001164500000  0.340166400000 -0.147785800000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000015600000 -0.000053800000  0.000320200000  0.030751400000  0.548464800000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000006000000  0.000020800000 -0.000099600000 -0.000331500000  0.564017100000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000001500000 -0.000005400000  0.000021600000  0.000078400000  0.121811200000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      41517.97000000
      10302.68400000
       3480.07330000
       1417.37870000
        648.27795000
        318.43070000
        165.10590000
         89.88111400
         50.62442900
         28.82202400
         16.13891500
          8.91222880
          4.69369670
          2.40310580
          1.15137090
          0.44003599
          0.15781510
        517.71969e-4
  0.000118700000  0.000068300000  0.000031600000 -0.000007000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000765600000  0.000441500000  0.000204800000 -0.000045300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003901500000  0.002263400000  0.001050200000 -0.000231500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.016016200000  0.009353000000  0.004353000000 -0.000964600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.053822600000  0.031858100000  0.014851700000 -0.003275500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.143966800000  0.086658700000  0.040640800000 -0.009024300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.275398000000  0.165921300000  0.077630300000 -0.017091900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.348101600000  0.192973400000  0.088522700000 -0.019739800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.259772100000  0.040952400000 -0.000357500000  0.001319400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.100229100000 -0.271737800000 -0.175584700000  0.039766600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.014705300000 -0.478156800000 -0.307872100000  0.073202200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000358700000 -0.307295900000 -0.056139000000  0.002666800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000056300000 -0.063180300000  0.440050100000 -0.122189200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000074500000 -0.001300300000  0.513215400000 -0.151425300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000005300000 -0.000477300000  0.197239500000  0.063161400000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000006500000  0.000128800000  0.015810500000  0.372686100000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000001800000 -0.000046800000 -0.000715000000  0.507504500000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000500000  0.000014600000  0.000267600000  0.314919600000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2133.19220000
        718.53979000
        306.78101000
        148.18332000
         75.75884400
         39.92306700
         21.09916300
         11.12375900
          5.74761400
          2.84586690
          1.34271020
          0.58786559
          0.22732217
 -0.000273300000  0.000099600000  0.000000000000  0.000000000000
 -0.002413100000  0.000875900000  0.000000000000  0.000000000000
 -0.013309700000  0.004873700000  0.000000000000  0.000000000000
 -0.050145100000  0.018320700000  0.000000000000  0.000000000000
 -0.138803600000  0.051187700000  0.000000000000  0.000000000000
 -0.274054500000  0.097782700000  0.000000000000  0.000000000000
 -0.367337600000  0.118282700000  0.000000000000  0.000000000000
 -0.298117400000  0.034066800000  0.000000000000  0.000000000000
 -0.117335000000 -0.189731100000  0.000000000000  0.000000000000
 -0.015143900000 -0.382200300000  0.000000000000  0.000000000000
 -0.000510500000 -0.385861300000  0.000000000000  0.000000000000
 -0.000104600000 -0.241516000000  1.000000000000  0.000000000000
 -0.000029200000 -0.075887200000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Es.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.21el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
EINSTEINIUM (14s,10p,11d,9f) -> [2s,1p,1d,1f]
********************************************************************************
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on EsQR(6L)
********************************************************************************
    21.0   3
* s-type functions
   14    2
   19412305.27000000
    1739201.65000000
     180206.69140000
      25862.26208000
       4799.58702200
        338.78991780
         56.60456502
         13.85843148
      40334.17257e-4
          2.86252189
       7422.07985e-4
       3443.95167e-4
        822.96811e-4
        317.17647e-4
  0.000175872960 -0.000049084984
  0.000716582510 -0.000199996420
  0.002604877400 -0.000727000180
  0.007825333000 -0.002184241900
  0.018369383000 -0.005126643300
 -0.119038650000  0.033289542000
  0.398760280000 -0.112512100000
 -0.900985410000  0.261903860000
  0.679325900000 -0.218498030000
  0.726516310000 -0.234097510000
 -0.979559870000  0.462780340000
 -0.411756920000  0.321492020000
 -0.012411200000 -0.700141900000
  0.002888881500 -0.526707220000
* p-type functions
   10    1
      10967.20120000
       2146.77684500
        599.22120090
         80.40195449
         16.01151140
          4.44328425
      29899.74291e-4
       7460.67116e-4
       3418.46524e-4
          0.14118314
  0.002643959500
  0.012809312000
  0.035387492000
 -0.141804690000
  0.357161070000
 -0.311932410000
 -0.366189640000
  0.611395980000
  0.477567650000
  0.087262727000
* d-type functions
   11    1
       1195.98366300
        340.28112920
        125.03029410
         24.18902400
         12.84198946
      56777.19174e-4
      28872.86099e-4
       6053.24016e-4
       2490.38162e-4
        997.98525e-4
        420.57568e-4
 -0.002457541000
 -0.013796627000
 -0.031193991000
  0.071725954000
  0.053094211000
 -0.095881408000
 -0.167067870000
  0.251036290000
  0.427034920000
  0.369836890000
  0.194040310000
* f-type functions
    9    1
        374.14215320
        125.66397270
         51.16467148
         22.32157997
      48820.53117e-4
      23284.18502e-4
      10894.00369e-4
       4863.85084e-4
       1933.19469e-4
 -0.005647787700
 -0.036969171000
 -0.112439110000
 -0.154163480000
  0.284377850000
  0.411170820000
  0.333194200000
  0.176571750000
  0.045878835000
********************************************************************************
* Core AIMP:Es DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  7.1032699000e5  1.8143127800e5  6.4066111100e4  2.4336877900e4  9.6795675400e3  3.9072754100e3  1.6469085800e3  7.7292647500e2  2.9716482600e2  1.4672151400e2  3.240133200000
 29.551264300000 18.534139800000  5.957640210000  1.608712300000
  0.044587694014  0.032740980766  0.048604276524  0.068367283511  0.087880488936  0.116550948790  0.199304886085  0.249905474453  0.203165454475  0.661237343918  0.235022437710
  1.023186753153  0.174489375263  0.552455026029  0.016787290658
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  1.0270028200e4  1.9894451400e3  5.2059330000e2  1.4172016000e2 33.611322000000
        328.92005e10
        308.969460e9
48150946000.00000000
 9878113100.00000000
 2448562300.00000000
  718162640.00000000
  241168030.00000000
   86850899.00000000
   31059691.00000000
   10819383.00000000
    3737274.40000000
    1312667.80000000
     479496.33000000
     184415.39000000
      75248.51100000
      32746.78100000
      15119.49200000
       7260.55290000
       3577.89390000
       1802.88520000
        922.83438000
        472.24439000
        243.03673000
        121.36865000
         70.36271700
         39.24197700
         21.30763300
         12.02925900
          6.45346540
          3.30252900
          1.32080830
          0.76137109
          0.32053525
        805.33471e-4
        305.86724e-4
  0.000003600000 -0.000001600000  0.000000800000  0.000000400000 -0.000000200000
  0.000013600001 -0.000006000000  0.000003000000  0.000001600000 -0.000000800000
  0.000037900004 -0.000016600001  0.000008199999  0.000004300000 -0.000002200000
  0.000090900009 -0.000039800002  0.000019599999  0.000010300001 -0.000005300000
  0.000192800020 -0.000084100005  0.000041499997  0.000021900001 -0.000011200000
  0.000364100037 -0.000158500009  0.000078099994  0.000041200002 -0.000021100000
  0.000645900066 -0.000280700015  0.000138199990  0.000072900004 -0.000037400000
  0.001176500120 -0.000510600027  0.000251399982  0.000132500007 -0.000068000000
  0.002257300231 -0.000978800053  0.000481999965  0.000254100014 -0.000130400001
  0.004350300444 -0.001886500101  0.000929099933  0.000489700026 -0.000251300001
  0.008220800840 -0.003570300192  0.001758899874  0.000927100050 -0.000475800003
  0.014990701531 -0.006536000351  0.003222099769  0.001698700092 -0.000871800005
  0.026237202680 -0.011525600620  0.005690099592  0.003000900162 -0.001540200009
  0.044102504505 -0.019625301055  0.009710599304  0.005124100277 -0.002630500016
  0.070776907229 -0.032140801728  0.015964798856  0.008433100455 -0.004330300026
  0.107762811007 -0.050472202714  0.025204798194  0.013331100720 -0.006848400040
  0.156794316016 -0.076772904129  0.038683297229  0.020511501108 -0.010543200062
  0.215334821995 -0.112442906047  0.057304095895  0.030463201645 -0.015672700093
  0.255762726125 -0.144061407747  0.074672894650  0.039904402155 -0.020555300122
  0.226058823091 -0.124802806712  0.063376595460  0.033576401813 -0.017259100102
  0.113755211619  0.039181002107 -0.042176896978 -0.026027801406  0.013953200082
  0.019229101964  0.372972220058 -0.324295776767 -0.198784310736  0.106451400629
  0.000363800037  0.511726627520 -0.550345260572 -0.358804419378  0.195878901158
 -0.000075000008  0.203829310962 -0.077735094431 -0.030003501620  0.013579000080
  0.000073300007 -0.007654000412  0.718019248560  0.834354445062 -0.541432603201
 -0.000100500010  0.012317400662  0.535368461645  0.765175141326 -0.521944603086
  0.000080800008 -0.007141700384  0.095492493159 -0.538582929088  0.533970003157
 -0.000048600005  0.004078200219 -0.002789699800 -0.923870749897  1.362790908057
  0.000026000003 -0.002021500109  0.002337599833 -0.186650210081 -0.223704601323
 -0.000012000001  0.000872100047 -0.001107599921 -0.002251600122 -1.221729207223
  0.000006000001 -0.000437700024  0.000462099967 -0.000994000054 -0.240971101425
 -0.000003600000  0.000263600014 -0.000275799980  0.000436800024  0.053897200319
  0.000000900000 -0.000065500004  0.000071699995 -0.000053800003 -0.010850600064
 -0.000000200000  0.000016000001 -0.000016999999  0.000015300001  0.002319000014
  0.000000100000 -0.000005800000  0.000006200000 -0.000005300000 -0.000829600005
   26    4
  1.6185744600e3  4.1813164000e2  1.0782241000e2 22.603784000000
  494030950.00000000
   69362480.00000000
   13970464.00000000
    3447261.30000000
     988270.04000000
     318381.15000000
     112357.89000000
      42905.63400000
      17547.52200000
       7599.27030000
       3461.02810000
       1652.25940000
        823.15542000
        426.25021000
        227.28433000
        123.33594000
         68.74966800
         38.43162200
         21.11802500
         11.86650000
          6.48499220
          3.50011690
          1.82136400
          0.83230610
          0.37624914
          0.15437331
  0.000009700000 -0.000005200000 -0.000002800000 -0.000001400000
  0.000030599998 -0.000016400001 -0.000008700000 -0.000004300000
  0.000083299996 -0.000044600003 -0.000023799999 -0.000011800000
  0.000206399990 -0.000110800008 -0.000058999998 -0.000029399999
  0.000482299976 -0.000259500019 -0.000138199995 -0.000068799998
  0.001099399944 -0.000593400043 -0.000316299988 -0.000157499995
  0.002496499874 -0.001353400098 -0.000722299973 -0.000359899989
  0.005681099713 -0.003098700225 -0.001655999937 -0.000825199975
  0.013075699339 -0.007195200522 -0.003854299854 -0.001922799942
  0.030331498466 -0.016905401226 -0.009084699656 -0.004532999864
  0.068811096520 -0.039126602837 -0.021137999200 -0.010571199683
  0.143903792723 -0.084247106109 -0.045861798264 -0.022958799311
  0.253501387181 -0.154150611179 -0.084822896788 -0.042655498720
  0.329827383322 -0.202801114707 -0.111761595768 -0.056054298318
  0.262468586728 -0.095702806940 -0.037940498563 -0.017099699487
  0.096687995111  0.242294017571  0.213300891924  0.121258996361
  0.009650399512  0.504393136578  0.458465282641  0.261580592150
  0.000835799958  0.326078223647  0.163798393798  0.067378897978
 -0.000513499974  0.065152604725 -0.502386280979 -0.440284186787
  0.000226799989  0.001499900109 -0.581578177980 -0.568422082941
 -0.000142099993  0.000451700033 -0.158672893992  0.256443592304
  0.000086199996 -0.000330400024 -0.006470199755  0.730555978075
 -0.000034699998  0.000064700005 -0.001278399952  0.313888690580
  0.000014099999 -0.000030500002  0.000356799986  0.027476399175
 -0.000005500000  0.000011600001 -0.000119999995 -0.000130699996
  0.000001400000 -0.000003100000  0.000026299999  0.000089499997
   18    3
  3.3264520000e2 75.053256000000 11.133812000000
      39167.53700000
       9783.31220000
       3387.70390000
       1395.59860000
        639.24636000
        315.36976000
        164.60002000
         89.54705000
         49.99318600
         28.17564900
         15.97347900
          9.12346530
          5.36500540
          3.54618260
          2.46891320
          1.39461800
          0.70545945
          0.27965858
  0.000137599999  0.000079500002 -0.000037000000
  0.000862799995  0.000500000015 -0.000232700002
  0.004216899978  0.002457000074 -0.001145400008
  0.017156699909  0.010069300302 -0.004701000034
  0.057279599697  0.034069801022 -0.015964400117
  0.149172599210  0.090269102708 -0.042458100310
  0.280086798517  0.169164405074 -0.079591100582
  0.352084398135  0.194017905820 -0.088539900647
  0.254408598653  0.021865000656  0.011063500081
  0.089953199524 -0.298506308954  0.194807501423
  0.011216799941 -0.462863013884  0.294696002153
  0.000755699996 -0.276685208299  0.052682600385
 -0.000295999998 -0.062938401888 -0.303286602216
  0.000228199999 -0.009880800296 -0.252718301846
 -0.000164999999 -0.000503500015 -0.354071602587
  0.000022000000 -0.000467000014 -0.216993501585
 -0.000012500000  0.000061200002 -0.045733600334
  0.000000500000 -0.000018900001 -0.002596900019
   13    1
 42.652628000000
       2103.77210000
        706.69294000
        301.08295000
        145.67372000
         75.27166200
         40.17719200
         21.40608100
         11.31428500
          5.83320980
          2.86705610
          1.32978390
          0.56699566
          0.21033925
 -0.000303900000
 -0.002687499997
 -0.014775099985
 -0.054036099945
 -0.143257799855
 -0.275242999721
 -0.366477599628
 -0.293747699702
 -0.111550599887
 -0.013379599986
 -0.000549199999
 -0.000146400000
 -0.000057600000
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Es.AE.Paulovic.35s26p18d13f.7s5p4d2f.99e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        328.82497e10
        308.969460e9
48132141000.00000000
 9951942300.00000000
 2482266500.00000000
  723175440.00000000
  241283850.00000000
   86825829.00000000
   30992025.00000000
   10807654.00000000
    3734245.80000000
    1313012.50000000
     479702.95000000
     184487.44000000
      75248.51100000
      32746.38100000
      15119.49800000
       7260.60930000
       3577.89510000
       1802.88480000
        922.83508000
        472.24439000
        243.03673000
        121.36871000
         70.36270200
         39.24199200
         21.30762500
         12.02926400
          6.45346050
          3.30252900
          1.32080750
          0.76137167
          0.32053513
        805.33471e-4
        305.87283e-4
  0.000003600000 -0.000001600000  0.000000800000  0.000000400000 -0.000000200000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000013600000 -0.000006000000  0.000003000000  0.000001600000 -0.000000800000  0.000000400000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000037800000 -0.000016600000  0.000008200000  0.000004300000 -0.000002200000  0.000001000000  0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000089900000 -0.000039300000  0.000019400000  0.000010200000 -0.000005200000  0.000002400000  0.000000700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000191200000 -0.000083400000  0.000041100000  0.000021700000 -0.000011100000  0.000005000000  0.000001400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000365700000 -0.000159200000  0.000078400000  0.000041300000 -0.000021200000  0.000009500000  0.000002700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000646800000 -0.000281000000  0.000138400000  0.000073000000 -0.000037500000  0.000016800000  0.000004700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001179000000 -0.000511700000  0.000252000000  0.000132800000 -0.000068200000  0.000030600000  0.000008500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002260300000 -0.000980100000  0.000482700000  0.000254400000 -0.000130600000  0.000058600000  0.000016400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004350100000 -0.001886400000  0.000929000000  0.000489700000 -0.000251400000  0.000112800000  0.000031500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.008219700000 -0.003569800000  0.001758600000  0.000927000000 -0.000476000000  0.000213500000  0.000059700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.014976600000 -0.006529800000  0.003219100000  0.001697100000 -0.000871500000  0.000390900000  0.000109200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.026232900000 -0.011523600000  0.005689100000  0.003000500000 -0.001540900000  0.000691200000  0.000193100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.044100600000 -0.019624300000  0.009710100000  0.005124100000 -0.002631900000  0.001180600000  0.000329900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.070805000000 -0.032153200000  0.015971000000  0.008436700000 -0.004334500000  0.001944500000  0.000543400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.107741900000 -0.050462500000  0.025200000000  0.013329100000 -0.006851100000  0.003073800000  0.000858800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.156812300000 -0.076780700000  0.038687100000  0.020514400000 -0.010550500000  0.004734300000  0.001323500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.215313100000 -0.112432000000  0.057298700000  0.030461700000 -0.015680300000  0.007037500000  0.001965200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.255786900000 -0.144072800000  0.074678400000  0.039909000000 -0.020569300000  0.009236200000  0.002585700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.226036400000 -0.124790700000  0.063370900000  0.033575000000 -0.017266700000  0.007744000000  0.002152500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.113775700000  0.039168500000 -0.042170700000 -0.026026000000  0.013957500000 -0.006319700000 -0.001740800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.019211800000  0.372977800000 -0.324291900000 -0.198789300000  0.106517800000 -0.048332200000 -0.013596000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000378900000  0.511712400000 -0.550337900000 -0.358818100000  0.195983600000 -0.089267300000 -0.024851100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000090300000  0.203851300000 -0.077776000000 -0.030051100000  0.013648400000 -0.006018600000 -0.002122200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000088000000 -0.007665900000  0.718047100000  0.834459300000 -0.541882800000  0.258400800000  0.073901000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000111500000  0.012326900000  0.535357300000  0.765270900000 -0.522180900000  0.253380400000  0.069875400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000088600000 -0.007149800000  0.095510000000 -0.538939600000  0.534312800000 -0.282413600000 -0.077680600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000053600000  0.004082900000 -0.002798400000 -0.923587900000  1.363768300000 -0.827118900000 -0.247724300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000028600000 -0.002023900000  0.002339700000 -0.186718700000 -0.223395000000  0.258948600000  0.088877000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000013200000  0.000873300000 -0.001112200000 -0.002253700000 -1.224864900000  1.218170700000  0.380889800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000006600000 -0.000438300000  0.000464100000 -0.000981200000 -0.238622100000  0.121118000000  0.065845200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000003900000  0.000263800000 -0.000277100000  0.000441300000  0.053875700000 -1.079240600000 -0.531598500000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000001000000 -0.000065700000  0.000072100000 -0.000049600000 -0.010696600000 -0.394547600000 -0.301429100000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000000300000  0.000016000000 -0.000016800000  0.000014900000  0.002293000000  0.002706200000  0.743243800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000100000 -0.000005800000  0.000006400000 -0.000006700000 -0.000825200000 -0.002131200000  0.489785400000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  500218360.00000000
   70708514.00000000
   14273882.00000000
    3526721.00000000
    1004631.90000000
     319832.15000000
     112626.84000000
      42993.09200000
      17523.36400000
       7593.50440000
       3461.71030000
       1653.15880000
        824.16833000
        426.31008000
        226.95463000
        123.37580000
         68.82092500
         38.49706300
         21.04918600
         11.80463000
          6.44227980
          3.47137890
          1.80346330
          0.84119835
          0.38183898
          0.15791512
  0.000009600000 -0.000005100000 -0.000002700000 -0.000001400000  0.000000500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000030200000 -0.000016200000 -0.000008600000 -0.000004300000  0.000001700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000081900000 -0.000043900000 -0.000023400000 -0.000011600000  0.000004600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000203000000 -0.000109000000 -0.000058000000 -0.000028900000  0.000011400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000480800000 -0.000258700000 -0.000137800000 -0.000068700000  0.000027100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001103400000 -0.000595500000 -0.000317400000 -0.000158200000  0.000062400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002487500000 -0.001348600000 -0.000719700000 -0.000359000000  0.000141600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005689300000 -0.003103000000 -0.001658400000 -0.000827300000  0.000326300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.013119900000 -0.007220000000 -0.003867700000 -0.001931600000  0.000762400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.030292600000 -0.016882700000 -0.009073100000 -0.004532300000  0.001787700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.068778000000 -0.039111300000 -0.021129900000 -0.010579300000  0.004178900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.143665100000 -0.084093600000 -0.045781700000 -0.022944000000  0.009053600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.253258000000 -0.154025700000 -0.084750900000 -0.042668800000  0.016886100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.330815700000 -0.203304000000 -0.112053600000 -0.056260500000  0.022175400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.262362900000 -0.095613500000 -0.037801500000 -0.017049900000  0.006678800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.096088100000  0.242038200000  0.212773900000  0.121106400000 -0.049528900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.009996400000  0.503426400000  0.458271600000  0.261778100000 -0.105846000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000643300000  0.327237800000  0.163775900000  0.067458100000 -0.026289300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000382600000  0.065755800000 -0.506910500000 -0.445662100000  0.202945500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000141600000  0.000917100000 -0.579960800000 -0.566440800000  0.255944900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000091600000  0.000695200000 -0.155355400000  0.267099500000 -0.184322200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000059600000 -0.000458600000 -0.006213100000  0.733930300000 -0.506328200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000023300000  0.000126900000 -0.001190500000  0.304546800000 -0.107138300000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000009900000 -0.000055300000  0.000352700000  0.024859600000  0.558676000000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000003800000  0.000021100000 -0.000112300000  0.000262300000  0.547716100000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000001000000 -0.000005400000  0.000024500000 -0.000058600000  0.116874700000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      38328.96600000
       9739.41360000
       3408.62030000
       1429.66710000
        664.21321000
        328.02190000
        168.84447000
         89.86252000
         49.04841000
         27.16470200
         15.15026800
          8.42642520
          4.50958970
          2.32524520
          1.11755530
          0.42473773
          0.15105583
        495.29763e-4
  0.000140300000  0.000081100000  0.000037800000 -0.000008200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000862300000  0.000499700000  0.000233300000 -0.000050500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004105200000  0.002392100000  0.001118300000 -0.000241200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.016093400000  0.009442400000  0.004422000000 -0.000958500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.053198300000  0.031618200000  0.014853200000 -0.003204900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.143063300000  0.086496800000  0.040807500000 -0.008859900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.282732200000  0.170978600000  0.080674400000 -0.017393400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.365735800000  0.201573300000  0.092343800000 -0.020068800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.258207000000  0.013656100000 -0.016849600000  0.004941900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.083506000000 -0.327553100000 -0.212732700000  0.047417700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.009244600000 -0.473454800000 -0.301355600000  0.069891400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000311200000 -0.257576500000  0.014831000000 -0.015921500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000040800000 -0.046115500000  0.473346300000 -0.128055700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000040600000 -0.001032500000  0.481257300000 -0.136730500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000006500000 -0.000297000000  0.167466300000  0.085485300000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000002700000  0.000068200000  0.011886100000  0.382429400000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000400000 -0.000025400000 -0.000464800000  0.500936400000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000100000  0.000008100000  0.000183000000  0.302762900000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2104.36480000
        707.80996000
        301.98706000
        145.99852000
         75.22273500
         40.09816900
         21.38627300
         11.30607500
          5.81436780
          2.85869070
          1.33707210
          0.58590181
          0.22941360
 -0.000303500000  0.000112600000  0.000000000000  0.000000000000
 -0.002672900000  0.000987800000  0.000000000000  0.000000000000
 -0.014667900000  0.005468200000  0.000000000000  0.000000000000
 -0.053998000000  0.020088100000  0.000000000000  0.000000000000
 -0.143990200000  0.054068800000  0.000000000000  0.000000000000
 -0.275572600000  0.099747500000  0.000000000000  0.000000000000
 -0.365796700000  0.119140100000  0.000000000000  0.000000000000
 -0.294058900000  0.027937900000  0.000000000000  0.000000000000
 -0.111385100000 -0.206347900000  0.000000000000  0.000000000000
 -0.012930600000 -0.394372700000  0.000000000000  0.000000000000
 -0.000567600000 -0.378232400000  0.000000000000  0.000000000000
 -0.000075300000 -0.224455400000  1.000000000000  0.000000000000
 -0.000047400000 -0.068172100000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Fm.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.22el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
FERMIUM (14s,10p,11d,9f) -> [2s,1p,1d,1f]
********************************************************************************
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on FmQR(5L)
********************************************************************************
    22.0   3
* s-type functions
   14    2
   28029498.88000000
    2097440.16100000
     195590.55300000
      27031.11467000
       4962.66882300
        351.53915230
         58.31459458
         14.28964801
      40417.65357e-4
      27767.09424e-4
       7985.04861e-4
          0.37064784
        829.10487e-4
        324.99087e-4
  0.000157033940 -0.000043482219
  0.000713366580 -0.000197531430
  0.002656234500 -0.000735498880
  0.007952100000 -0.002202148800
  0.018307728000 -0.005069163700
 -0.118719240000  0.032937648000
  0.399998690000 -0.111969530000
 -0.911083360000  0.262686040000
  0.885266380000 -0.280435300000
  0.540705790000 -0.175732930000
 -0.941642490000  0.436730930000
 -0.461921110000  0.340452680000
 -0.012185729000 -0.705461130000
  0.002717258000 -0.512644470000
* p-type functions
   10    1
      10971.13625000
       2171.42699600
        611.68722910
         82.69622237
         16.48300114
      47078.16759e-4
      31714.21618e-4
          0.75838581
       3347.38714e-4
          0.13120182
  0.002756794100
  0.013023825000
  0.035306832000
 -0.142394720000
  0.359830740000
 -0.284079360000
 -0.391645810000
  0.635579510000
  0.470661320000
  0.067368255000
* d-type functions
   11    1
       1247.06530500
        352.32004210
        128.68539530
         25.05655646
         13.47198348
      58849.00665e-4
      30247.57355e-4
       6247.65385e-4
       2646.46714e-4
       1085.54855e-4
        416.31607e-4
 -0.002373316200
 -0.013517515000
 -0.030904118000
  0.069288680000
  0.052809936000
 -0.091962345000
 -0.163633370000
  0.242774460000
  0.395575080000
  0.392303490000
  0.218592370000
* f-type functions
    9    1
        389.03624410
        130.47381600
         53.11906432
         23.19958544
      50949.75345e-4
      24392.18475e-4
      11322.54025e-4
       4917.21597e-4
       1910.43155e-4
 -0.005628332100
 -0.037131243000
 -0.113749370000
 -0.157114270000
  0.287350010000
  0.411755710000
  0.337495730000
  0.173376490000
  0.040122756000
********************************************************************************
* Core AIMP:Fm DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  7.2084848000e5  1.8497959700e5  6.5406519900e4  2.4927880000e4  9.9332863400e3  4.0196109300e3  1.6985805400e3  7.9755744800e2  3.0744401900e2  1.5121457700e2 30.406909700000
 19.089962600000  6.174966870000  3.359496740000  1.665466310000
  0.043019317156  0.031471253066  0.046541720425  0.065133663935  0.083655290233  0.111013410422  0.189738859772  0.238283397115  0.192870870936  0.632907220712  0.985681070655
  0.156534346679  0.529675601932  0.223241116859  0.015687405558
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  1.0535136400e4  2.0488938000e3  5.3754046000e2  1.4696456800e2 34.971444000000
        331.23875e10
         30.84153e10
47787046000.00000000
 9746892700.00000000
 2432438300.00000000
  713696780.00000000
  240600310.00000000
   87250784.00000000
   31218713.00000000
   10859057.00000000
    3738734.50000000
    1310900.10000000
     479496.33000000
     184307.36000000
      75208.88900000
      32742.54300000
      15116.57400000
       7258.32230000
       3579.99090000
       1801.88330000
        921.39357000
        472.27322000
        243.66645000
        121.25069000
         70.36271700
         39.11259600
         21.30763300
         12.04262000
          6.44518020
          3.32047700
          1.32087780
          0.76614456
          0.35406466
        805.34945e-4
        305.90075e-4
  0.000004000000 -0.000001800000  0.000000900000  0.000000500000 -0.000000200000
  0.000015000000 -0.000006700000  0.000003300000  0.000001700000 -0.000000900000
  0.000041799999 -0.000018500001  0.000009100000  0.000004800000 -0.000002500000
  0.000099299998 -0.000043700002  0.000021600000  0.000011399999 -0.000005900000
  0.000208199997 -0.000091400005  0.000045099999  0.000023799999 -0.000012300000
  0.000393099994 -0.000172200009  0.000084899998  0.000044899998 -0.000023100000
  0.000686899989 -0.000300400016  0.000148099997  0.000078199996 -0.000040300000
  0.001246599981 -0.000544400029  0.000268399994  0.000141699992 -0.000073000000
  0.002392299963 -0.001043900056  0.000514599988  0.000271699985 -0.000139999999
  0.004601599929 -0.002007800109  0.000989899978  0.000522699971 -0.000269399999
  0.008686299866 -0.003795700205  0.001871899958  0.000988599946 -0.000509499998
  0.015724599758 -0.006898400373  0.003404499923  0.001798299902 -0.000926799996
  0.027373499578 -0.012099800655  0.005980199865  0.003159999828 -0.001628799992
  0.045877699293 -0.020545201112  0.010177299770  0.005380799707 -0.002774099987
  0.073116698874 -0.033420301809  0.016620399624  0.008796699520 -0.004536099978
  0.110702498294 -0.052198602825  0.026098499409  0.013830899246 -0.007135899966
  0.160044297534 -0.078896004269  0.039808099099  0.021150698846 -0.010917199948
  0.217565296648 -0.114333206187  0.058332298680  0.031069898306 -0.016056399923
  0.255177496069 -0.144046407795  0.074713098309  0.040000597818 -0.020684199901
  0.222094196578 -0.119861006486  0.060256498636  0.031870598262 -0.016455099921
  0.107677698341  0.054179402932 -0.052910798802 -0.032338898236  0.017409799917
  0.017347399733  0.385772920876 -0.339202592322 -0.208988988602  0.112412699463
  0.000249099996  0.502595827197 -0.543177887706 -0.355706680600  0.195519599066
 -0.000009500000  0.190653610317 -0.035026599207  0.007050499615 -0.009376399955
 -0.000000700000 -0.010150400549  0.735821483345  0.871328652479 -0.569245597281
 -0.000039299999  0.012316800667  0.507120488522  0.716929360900 -0.495107597635
  0.000036999999 -0.007287900394  0.079797198194 -0.614890166465  0.627016497005
 -0.000020200000  0.004175700226 -0.001138099974 -0.886015751678  1.339336193603
  0.000011300000 -0.002078500112  0.001328899970 -0.161801091176 -0.344453598355
 -0.000005700000  0.000910000049 -0.000706399984 -0.001047499943 -1.179502194367
  0.000002800000 -0.000470200025  0.000277299994 -0.001109599939 -0.212421398985
 -0.000001800000  0.000300200016 -0.000174599996  0.000542199970  0.051262599755
  0.000000500000 -0.000079200004  0.000049499999 -0.000088699995 -0.010853699948
 -0.000000100000  0.000015400001 -0.000009200000  0.000018999999  0.001785899991
  0.000000000000 -0.000005800000  0.000003500000 -0.000006900000 -0.000659599997
   26    4
  1.6595112800e3  4.3024114000e2  1.1149926800e2 23.434068000000
  490772260.00000000
   68890516.00000000
   13876032.00000000
    3427260.30000000
     982977.92000000
     317157.58000000
     112163.13000000
      42913.81700000
      17553.81800000
       7600.63290000
       3461.38520000
       1651.79010000
        822.88824000
        426.28720000
        227.60085000
        123.23017000
         68.71325400
         38.45808400
         21.14737200
         11.90485200
          6.50329970
          3.49803480
          1.80999320
          0.83313924
          0.37574708
          0.15315832
  0.000010400000 -0.000005600000 -0.000003000000 -0.000001500000
  0.000032700000 -0.000017500000 -0.000009400000 -0.000004700000
  0.000088500000 -0.000047599999 -0.000025400000 -0.000012700000
  0.000218899999 -0.000117799997 -0.000062900000 -0.000031400001
  0.000510499998 -0.000275199994 -0.000147000000 -0.000073500002
  0.001159099996 -0.000626799986 -0.000335000001 -0.000167600004
  0.002620099992 -0.001423499967 -0.000761700002 -0.000381300008
  0.005943399982 -0.003249199925 -0.001741200006 -0.000871700019
  0.013657099959 -0.007532899826 -0.004046500013 -0.002028200045
  0.031551099905 -0.017632299593 -0.009502500030 -0.004763600106
  0.071282899784 -0.040646999062 -0.022024500071 -0.011067800246
  0.148080599552 -0.086970597993 -0.047487900152 -0.023883800531
  0.258184099219 -0.157420196368 -0.086886800278 -0.043912300976
  0.329979599002 -0.202493495328 -0.111706600358 -0.056235901250
  0.256452899224 -0.085375198030 -0.030758600098 -0.013352600297
  0.091571099723  0.260389593992  0.229413900735  0.131301402918
  0.007832399976  0.505307788340  0.460988901476  0.263993505867
  0.001125799997  0.310931292826  0.135027900432  0.048648101081
 -0.000742899998  0.059043798638 -0.527183001688 -0.469456210432
  0.000383499999  0.000972499978 -0.564322101807 -0.549996112222
 -0.000230399999  0.000477599989 -0.143894100461  0.309527306878
  0.000133000000 -0.000356599992 -0.005147200016  0.727444116166
 -0.000056600000  0.000084199998 -0.001168000004  0.283667706304
  0.000023000000 -0.000038199999  0.000335000001  0.022137200492
 -0.000008900000  0.000014400000 -0.000112300000  0.000315400007
  0.000002200000 -0.000003800000  0.000024100000 -0.000027800001
   18    3
  3.4212704000e2 77.730754000000 11.584681000000
      38263.67200000
       9701.33510000
       3389.77950000
       1396.18710000
        638.80729000
        315.29081000
        164.50727000
         89.57335300
         50.10507500
         28.14592100
         15.96520400
          9.10015250
          5.34427930
          3.53798890
          2.48224450
          1.39407170
          0.69236582
          0.24252270
  0.000149600001  0.000086799995 -0.000040600002
  0.000912100009  0.000530799967 -0.000248600010
  0.004415800042  0.002583899840 -0.001212700049
  0.017996600171  0.010610699341 -0.004986000202
  0.059718500567  0.035687897784 -0.016837800682
  0.154089301462  0.093685994183 -0.044352601797
  0.285994902714  0.173216689244 -0.082040903325
  0.351161003332  0.192272788061 -0.087840803560
  0.247639202350  0.008951999444  0.018731100759
  0.085233400809 -0.314694980459  0.207024608389
  0.009035100086 -0.463081471246  0.295345511968
  0.001289100012 -0.262853383678  0.027095901098
 -0.000978500009 -0.054459896618 -0.327376913266
  0.000874900008 -0.009183699430 -0.245001409928
 -0.000515100005  0.000062699996 -0.346660314048
  0.000101700001 -0.000521899968 -0.203865608261
 -0.000029700000  0.000060599996 -0.039763101611
  0.000003200000 -0.000017899999 -0.001758200071
   13    1
 44.610772000000
       2106.92110000
        706.64432000
        300.80396000
        145.54316000
         75.30102600
         40.20096500
         21.40903600
         11.32454400
          5.83486910
          2.86928290
          1.33030680
          0.56756884
          0.21186365
 -0.000325300023
 -0.002876600207
 -0.015744301130
 -0.056949804089
 -0.149051910701
 -0.282517920283
 -0.368495626456
 -0.284569820430
 -0.102310507345
 -0.011178500803
 -0.000677400049
 -0.000160400012
 -0.000085700006
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Fm.AE.Paulovic.35s26p18d13f.7s5p4d2f.100e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        327.12404e10
        317.988440e9
49413213000.00000000
 9967516200.00000000
 2466837500.00000000
  721651390.00000000
  240988310.00000000
   86656453.00000000
   30999127.00000000
   10763771.00000000
    3724430.20000000
    1311738.20000000
     479496.33000000
     184678.67000000
      75349.61600000
      32769.34300000
      15100.83900000
       7263.67460000
       3580.30290000
       1795.61670000
        921.30078000
        472.23755000
        243.66645000
        121.25069000
         70.36271700
         39.11259600
         21.30759800
         12.04262000
          6.44516970
          3.32056310
          1.32087750
          0.76614456
          0.35405990
        805.25981e-4
        305.67888e-4
  0.000003900000 -0.000001800000  0.000000900000  0.000000500000 -0.000000200000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000014600000 -0.000006500000  0.000003200000  0.000001700000 -0.000000900000  0.000000400000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000041100000 -0.000018100000  0.000009000000  0.000004700000 -0.000002400000  0.000001100000  0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000098700000 -0.000043500000  0.000021500000  0.000011300000 -0.000005800000  0.000002600000  0.000000700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000207100000 -0.000090900000  0.000044900000  0.000023700000 -0.000012200000  0.000005500000  0.000001500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000391900000 -0.000171700000  0.000084700000  0.000044700000 -0.000023100000  0.000010400000  0.000002900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000694700000 -0.000303800000  0.000149800000  0.000079100000 -0.000040800000  0.000018300000  0.000005100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001254200000 -0.000547700000  0.000270000000  0.000142600000 -0.000073500000  0.000033000000  0.000009200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002406200000 -0.001049900000  0.000517600000  0.000273300000 -0.000140900000  0.000063300000  0.000017600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004622100000 -0.002016800000  0.000994300000  0.000525100000 -0.000270700000  0.000121600000  0.000033800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.008647200000 -0.003778700000  0.001863500000  0.000984200000 -0.000507500000  0.000227900000  0.000063300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.015710000000 -0.006892000000  0.003401300000  0.001796700000 -0.000926500000  0.000416100000  0.000115500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.027358800000 -0.012093100000  0.005976800000  0.003158400000 -0.001628800000  0.000731600000  0.000203100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.045739200000 -0.020483000000  0.010146400000  0.005364700000 -0.002767300000  0.001243000000  0.000345100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.073124700000 -0.033420400000  0.016620100000  0.008796800000 -0.004538600000  0.002038500000  0.000565900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.110876400000 -0.052282400000  0.026140800000  0.013854000000 -0.007151600000  0.003213500000  0.000892000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.160253000000 -0.078994400000  0.039856700000  0.021177300000 -0.010936800000  0.004912500000  0.001364000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.216758200000 -0.113924900000  0.058127000000  0.030962300000 -0.016009100000  0.007199100000  0.001997700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.256598900000 -0.144782000000  0.075082400000  0.040197800000 -0.020797600000  0.009340000000  0.002596200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.222026600000 -0.119857700000  0.060258100000  0.031873100000 -0.016463800000  0.007417700000  0.002050400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.106577900000  0.054851000000 -0.053265400000 -0.032531000000  0.017515500000 -0.007998000000 -0.002201100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.017885000000  0.385418800000 -0.339009900000 -0.208893700000  0.112430300000 -0.050967800000 -0.014229300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000124200000  0.502806200000 -0.543278900000 -0.355775600000  0.195644800000 -0.089563800000 -0.024794800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000328700000  0.190437500000 -0.034937900000  0.007072900000 -0.009345700000  0.005559000000  0.001185300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000313800000 -0.009925000000  0.735712200000  0.871369600000 -0.569694100000  0.270663300000  0.076741900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000188000000  0.012142700000  0.507222200000  0.717061000000 -0.495282800000  0.244677100000  0.067203300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000122600000 -0.007160900000  0.079725400000 -0.615277500000  0.627319600000 -0.341437500000 -0.094465100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000081800000  0.004091600000 -0.001084400000 -0.885691700000  1.340428700000 -0.811764200000 -0.241366100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000041100000 -0.002034100000  0.001296900000 -0.161906000000 -0.344450700000  0.348078300000  0.114929600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000017200000  0.000890600000 -0.000694500000 -0.001028700000 -1.182341500000  1.203728900000  0.375306100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000009200000 -0.000459800000  0.000270300000 -0.001105400000 -0.210053200000 -0.015233800000  0.013458000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000006000000  0.000293400000 -0.000169500000  0.000552300000  0.051070200000 -0.964296000000 -0.480700100000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000001500000 -0.000077600000  0.000048200000 -0.000091300000 -0.010664300000 -0.407433300000 -0.295407900000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000300000  0.000015100000 -0.000008500000  0.000019200000  0.001762600000 -0.008802700000  0.753121800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000100000 -0.000005600000  0.000003400000 -0.000007000000 -0.000655400000  0.001716700000  0.465193600000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  502699620.00000000
   71033070.00000000
   14377342.00000000
    3547371.50000000
    1010283.90000000
     320531.98000000
     112537.16000000
      42974.79900000
      17532.73700000
       7589.50570000
       3461.43410000
       1653.80880000
        824.48558000
        426.57567000
        226.98742000
        123.26412000
         68.91681800
         38.61634800
         21.00472900
         11.78021100
          6.43724540
          3.46517960
          1.79853970
          0.84831807
          0.39024535
          0.16274191
  0.000010200000 -0.000005500000 -0.000002900000 -0.000001500000  0.000000600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000031800000 -0.000017100000 -0.000009100000 -0.000004600000  0.000001800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000086200000 -0.000046300000 -0.000024700000 -0.000012400000  0.000004900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000213800000 -0.000115000000 -0.000061400000 -0.000030700000  0.000012100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000505700000 -0.000272600000 -0.000145600000 -0.000072900000  0.000028700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001163800000 -0.000629400000 -0.000336400000 -0.000168500000  0.000066300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002618400000 -0.001422500000 -0.000761200000 -0.000381500000  0.000150200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005951600000 -0.003253500000 -0.001743700000 -0.000873900000  0.000343900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.013702900000 -0.007558800000 -0.004060300000 -0.002037300000  0.000802300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.031560200000 -0.017636500000 -0.009506100000 -0.004770600000  0.001877400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.071142100000 -0.040570900000 -0.021981400000 -0.011058400000  0.004358700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.147694400000 -0.086725400000 -0.047363100000 -0.023846800000  0.009388600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.257759400000 -0.157186300000 -0.086737100000 -0.043885100000  0.017331400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.331445100000 -0.203254200000 -0.112182900000 -0.056537300000  0.022226000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.256791100000 -0.085292500000 -0.030429100000 -0.013180700000  0.005126200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.090114500000  0.259660100000  0.228004900000  0.130628600000 -0.053341600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.008697000000  0.502552800000  0.460123700000  0.263874300000 -0.106401700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000589300000  0.314368800000  0.135822400000  0.049087500000 -0.018581600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000360400000  0.059873200000 -0.537105400000 -0.480391700000  0.219222500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000129600000  0.000135600000 -0.559174000000 -0.543365100000  0.243386900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000080300000  0.000778000000 -0.137979700000  0.325630600000 -0.218380600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000053100000 -0.000503400000 -0.005084800000  0.724933600000 -0.502446400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000020800000  0.000154400000 -0.001002700000  0.275032000000 -0.067645100000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000009000000 -0.000067100000  0.000299900000  0.020681000000  0.559721400000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000003500000  0.000025600000 -0.000094700000  0.000539300000  0.531942500000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000900000 -0.000006500000  0.000019600000 -0.000120800000  0.117446700000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      37719.09500000
       9810.18920000
       3437.01760000
       1409.62030000
        642.17542000
        316.43537000
        164.91415000
         89.73109900
         50.47618500
         28.95340000
         16.50385500
          9.22155610
          4.91222920
          2.52842690
          1.22347440
          0.47070256
          0.16824094
        542.98705e-4
  0.000149900000  0.000087000000  0.000040900000 -0.000008600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000886600000  0.000515800000  0.000242400000 -0.000051300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004322000000  0.002530000000  0.001190300000 -0.000251200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.017811200000  0.010496000000  0.004948300000 -0.001048700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.059444200000  0.035538600000  0.016806900000 -0.003548100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.153579000000  0.093313700000  0.044329700000 -0.009414000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.286062600000  0.173473900000  0.082322400000 -0.017349500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.350599800000  0.191549400000  0.087987800000 -0.018727700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.244469500000  0.014251600000 -0.015903400000  0.004684800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.087339800000 -0.292369000000 -0.191826300000  0.041681400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.012126100000 -0.469139100000 -0.305588900000  0.069552100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000389300000 -0.288700000000 -0.030093900000 -0.004285400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000026300000 -0.056713700000  0.456933000000 -0.121751900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000051400000 -0.001517800000  0.498679700000 -0.139087800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000007900000 -0.000362900000  0.186040500000  0.064623300000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000003400000  0.000072400000  0.015436100000  0.353893200000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000400000 -0.000027500000 -0.000757700000  0.500697600000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000100000  0.000008500000  0.000281300000  0.347271700000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2072.75360000
        707.73892000
        303.29971000
        146.53409000
         75.39236700
         40.07334800
         21.33068200
         11.26356800
          5.79778740
          2.88056000
          1.36778780
          0.60524818
          0.23701940
 -0.000332400000  0.000125400000  0.000000000000  0.000000000000
 -0.002827200000  0.001061700000  0.000000000000  0.000000000000
 -0.015442900000  0.005854700000  0.000000000000  0.000000000000
 -0.056591200000  0.021398900000  0.000000000000  0.000000000000
 -0.150280400000  0.057378700000  0.000000000000  0.000000000000
 -0.284025100000  0.104085400000  0.000000000000  0.000000000000
 -0.368832300000  0.120561100000  0.000000000000  0.000000000000
 -0.284164400000  0.015563500000  0.000000000000  0.000000000000
 -0.100544300000 -0.223885100000  0.000000000000  0.000000000000
 -0.010849400000 -0.392062600000  0.000000000000  0.000000000000
 -0.000652200000 -0.365524300000  0.000000000000  0.000000000000
 -0.000083900000 -0.217662500000  1.000000000000  0.000000000000
 -0.000062000000 -0.065729200000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Md.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.23el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
MENDELEVIUM (14s,10p,11d,9f) -> [2s,1p,1d,1f]
********************************************************************************
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on MdQR(4K)
********************************************************************************
    23.0   3
* s-type functions
   14    2
   25546246.00000000
    2088273.81200000
     229274.16690000
      32932.11063000
       5734.90215000
        358.41826030
         60.83640688
         14.76572587
      41233.18109e-4
      29051.41989e-4
       8319.56029e-4
       3903.14289e-4
        886.96026e-4
        333.62294e-4
  0.000178569660 -0.000049181783
  0.000724381810 -0.000199512590
  0.002462964700 -0.000678345880
  0.007405245900 -0.002039766500
  0.018768467000 -0.005169079400
 -0.120210220000  0.033176056000
  0.401212960000 -0.111718210000
 -0.913809670000  0.262239170000
  0.945571750000 -0.301068740000
  0.476102050000 -0.149090220000
 -0.920605640000  0.415403400000
 -0.474473780000  0.359310170000
 -0.013225971000 -0.689206000000
  0.002691884400 -0.535896870000
* p-type functions
   10    1
      10974.64420000
       2186.70735800
        623.04982080
         85.01854315
         17.05074881
      48184.20895e-4
      32954.03254e-4
       7959.52768e-4
       3602.07566e-4
       1425.14766e-4
  0.002877089900
  0.013311216000
  0.035182032000
 -0.143272150000
  0.359849430000
 -0.288990000000
 -0.384161630000
  0.608110620000
  0.484040660000
  0.081489443000
* d-type functions
   11    1
       1284.33327400
        360.02963800
        131.57430150
         25.64396106
         13.76699701
      59396.29688e-4
          3.09470451
       6468.53501e-4
       2702.19123e-4
       1050.26992e-4
        384.79443e-4
 -0.002336580200
 -0.013392270000
 -0.030281628000
  0.069551375000
  0.049631184000
 -0.095235796000
 -0.153734540000
  0.236895800000
  0.401535050000
  0.413319880000
  0.206349470000
* f-type functions
    9    1
        401.67323230
        134.88967670
         55.02434082
         24.06661337
      53120.46185e-4
      25444.55763e-4
      11927.00259e-4
       5333.47333e-4
       2149.43622e-4
 -0.005673025900
 -0.037389109000
 -0.114986570000
 -0.159870270000
  0.290901140000
  0.411581850000
  0.328617770000
  0.172027060000
  0.045536942000
********************************************************************************
* Core AIMP:Md DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  7.2594884100e5  1.8731771000e5  6.6679219100e4  2.5635549900e4  1.0288657500e4  4.1653524400e3  1.7558464500e3  8.2282213300e2  3.1739295000e2  1.5571951800e2 31.267511700000
 19.624311400000  6.403675420000  3.490449530000  1.730857010000
  0.041772383669  0.030296159022  0.044433302201  0.061683864122  0.079371732377  0.106192270672  0.181461518182  0.228104510868  0.184024894090  0.606389893257  0.952068257685
  0.139319701553  0.507363091660  0.213755192847  0.015067575621
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  1.0806102200e4  2.1099408000e3  5.5493348000e2  1.5234038400e2 36.359112000000
        331.97211e10
        308.549290e9
45944571000.00000000
 9310087500.00000000
 2314096600.00000000
  685870390.00000000
  237284540.00000000
   89612632.00000000
   32313443.00000000
   11045240.00000000
    3742511.50000000
    1304739.30000000
     476641.20000000
     183302.98000000
      74811.44200000
      32628.11500000
      15097.30100000
       7255.64210000
       3584.31320000
       1809.24260000
        922.41675000
        472.97762000
        244.24373000
        121.10738000
         70.36287000
         39.04033400
         21.30914900
         12.04180200
          6.44529890
          3.32398280
          1.32087600
          0.76624688
          0.35405327
        805.36328e-4
        314.38162e-4
  0.000004400000 -0.000002000000  0.000001000000  0.000000500000 -0.000000300000
  0.000016800001 -0.000007500000  0.000003700000  0.000002000000 -0.000001000000
  0.000047400002 -0.000021099999  0.000010400000  0.000005500000 -0.000002900000
  0.000111300005 -0.000049299997  0.000024399999  0.000012900000 -0.000006700000
  0.000231700010 -0.000102399993  0.000050599998  0.000026800000 -0.000013800000
  0.000426900018 -0.000188199988  0.000092899997  0.000049200000 -0.000025400000
  0.000713900030 -0.000314099979  0.000155099995  0.000082099999 -0.000042499999
  0.001270200053 -0.000558199964  0.000275499991  0.000145799999 -0.000075399999
  0.002514500104 -0.001104099928  0.000544899982  0.000288299997 -0.000149199998
  0.004909900204 -0.002155799859  0.001063899965  0.000562899994 -0.000291299996
  0.009234500384 -0.004060499735  0.002004599935  0.001060699989 -0.000548799993
  0.016579000689 -0.007318999522  0.003615899883  0.001913499981 -0.000990199987
  0.028676301191 -0.012756399167  0.006311599795  0.003341399967 -0.001729299977
  0.047790301985 -0.021541098593  0.010682399653  0.005658499944 -0.002929099961
  0.075726303145 -0.034845697724  0.017350299436  0.009200599908 -0.004763599936
  0.113541704716 -0.053906596479  0.026983999123  0.014327499857 -0.007422499901
  0.162968306769 -0.080887394717  0.040870098672  0.021757599783 -0.011275399849
  0.219635309122 -0.116120992416  0.059298398073  0.031642999684 -0.016421699780
  0.253449410527 -0.143310590640  0.074378797584  0.039891399602 -0.020703999723
  0.217412609030 -0.114231192539  0.056693698158  0.029912199702 -0.015504699793
  0.103432904296  0.067786295573 -0.062908297956 -0.038295699618  0.020703199723
  0.015062300626  0.398639573963 -0.354297488489 -0.219329897812  0.118493498415
  0.000679200028  0.492924367805 -0.534685882629 -0.351685996491  0.194562097397
 -0.000461000019  0.177566688402  0.009987699676  0.047500999526 -0.034721899536
  0.000418200017 -0.012096899210  0.747823875704  0.902009891000 -0.593491692061
 -0.000341600014  0.012183499204  0.479152984433  0.665169093363 -0.464319393789
  0.000250800010 -0.007298299523  0.066436797842 -0.687269893143  0.720896890357
 -0.000156600007  0.004189899726  0.000153099995 -0.844346091575  1.306204982527
  0.000081100003 -0.002084199864  0.000508399983 -0.138232098621 -0.469559093719
 -0.000036300002  0.000912199940 -0.000363299988 -0.000815499992 -1.129217584895
  0.000018900001 -0.000470999969  0.000108399996 -0.000877999991 -0.179478797599
 -0.000012100001  0.000301099980 -0.000065999998  0.000420399996  0.042374399433
  0.000003200000 -0.000079599995  0.000020599999 -0.000062999999 -0.008785699882
 -0.000000600000  0.000015799999 -0.000003700000  0.000014100000  0.001447099981
  0.000000200000 -0.000006100000  0.000001400000 -0.000005200000 -0.000544899993
   26    4
  1.7010784600e3  4.4254810000e2  1.1522925400e2 24.267544000000
  487485600.00000000
   68680830.00000000
   13811438.00000000
    3416016.30000000
     981883.99000000
     316544.42000000
     112123.77000000
      42903.56600000
      17559.44000000
       7600.77780000
       3461.49310000
       1651.71020000
        822.57095000
        426.45901000
        227.71622000
        123.10140000
         68.71240000
         38.50465300
         21.16011400
         11.92249000
          6.51342340
          3.49792690
          1.80825220
          0.83298031
          0.37506513
          0.15245873
  0.000011100000 -0.000005900000 -0.000003200000 -0.000001600000
  0.000034700002 -0.000018700000 -0.000009999999 -0.000005000000
  0.000094100004 -0.000050699999 -0.000027099998 -0.000013600000
  0.000231300010 -0.000124699998 -0.000066699995 -0.000033500000
  0.000538900024 -0.000291099996 -0.000155899989 -0.000078300000
  0.001221100055 -0.000661699990 -0.000354599975 -0.000178200000
  0.002749300124 -0.001496799977 -0.000802999944 -0.000403800000
  0.006224300280 -0.003410499948 -0.001832599872 -0.000921500000
  0.014248400640 -0.007877599880 -0.004243099704 -0.002136200001
  0.032833801475 -0.018398299721 -0.009943299307 -0.005006500002
  0.073748903313 -0.042170999360 -0.022915798402 -0.011567800004
  0.152331106843 -0.089750298637 -0.049152396573 -0.024830400009
  0.262705111802 -0.160588197561 -0.088892793802 -0.045135700017
  0.329911114821 -0.201901896934 -0.111465192228 -0.056308000021
  0.250790211267 -0.074713498865 -0.023168598385 -0.009316300004
  0.085891303859  0.278450995772  0.245549582879  0.141409600053
  0.006663500299  0.504239092343  0.461594367815  0.265221000100
  0.001054400047  0.296821495493  0.106047092606  0.029263300011
 -0.000703100032  0.053171299193 -0.552240761495 -0.499814700188
  0.000357100016  0.000667399990 -0.544832062012 -0.526442300198
 -0.000209600009  0.000389899994 -0.129315290984  0.362364500136
  0.000120900005 -0.000314799995 -0.004087699715  0.716681100269
 -0.000051300002  0.000070499999 -0.001062699926  0.257281700097
  0.000020800001 -0.000032000000  0.000306399979  0.018754800007
 -0.000008000000  0.000012000000 -0.000103399993  0.000335000000
  0.000002000000 -0.000003200000  0.000021899998 -0.000041400000
   18    3
  3.5172642000e2 80.434030000000 12.032015000000
      38539.20900000
       9643.17550000
       3322.81830000
       1364.51130000
        628.03495000
        312.70424000
        163.78220000
         88.71439300
         49.01384000
         27.35940500
         15.60461000
          9.04168250
          5.47187910
          3.71193970
          2.44413020
          1.39676530
          0.73719247
          0.30859683
  0.000157199999  0.000091600003 -0.000043199999
  0.000984899993  0.000575500019 -0.000271199997
  0.004851199964  0.002851700095 -0.001346899984
  0.019541699855  0.011573100385 -0.005470799935
  0.063120799533  0.037923201261 -0.018012499787
  0.158954998823  0.097053703228 -0.046216199452
  0.292762297832  0.177900505917 -0.084811998995
  0.356680697359  0.192210206393 -0.087489798963
  0.239239298229 -0.015579600518  0.033675899601
  0.073202599458 -0.345345911486  0.228120497297
  0.007227499946 -0.449866214962  0.285648796615
  0.000616699995 -0.235295007826 -0.006322499925
 -0.000283299998 -0.049100401633 -0.299951096446
  0.000126199999 -0.008953600298 -0.288148996585
 -0.000094599999 -0.000590900020 -0.343130495934
  0.000003800000 -0.000347600012 -0.178076297890
 -0.000008500000  0.000029500001 -0.038195899547
 -0.000000500000 -0.000016600001 -0.002805499967
   13    1
 46.586706000000
       2109.10380000
        708.04495000
        300.16793000
        145.41138000
         75.35501500
         40.21732300
         21.41566400
         11.33114600
          5.84333290
          2.87049040
          1.32919260
          0.56835306
          0.21330351
 -0.000345499995
 -0.003074399958
 -0.016812899771
 -0.059813399185
 -0.155003597888
 -0.289585296053
 -0.369992694957
 -0.275058496251
 -0.093475898726
 -0.009595999869
 -0.000721899990
 -0.000222799997
 -0.000101199999
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Md.AE.Paulovic.35s26p18d13f.7s5p4d2f.101e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        329.17221e10
          3.07033e11
47335075000.00000000
 9500318000.00000000
 2372301100.00000000
  698097480.00000000
  236925640.00000000
   88088781.00000000
   31753670.00000000
   10955725.00000000
    3740717.20000000
    1307811.20000000
     477191.35000000
     183634.21000000
      74948.30300000
      32639.66600000
      15088.90900000
       7269.12300000
       3585.70100000
       1800.89590000
        922.41675000
        472.79578000
        244.24262000
        121.10720000
         70.36335300
         39.04033400
         21.30914900
         12.04180200
          6.44530050
          3.32398900
          1.32088150
          0.76624458
          0.35406889
          0.08053655
        314.04444e-4
  0.000004400000 -0.000002000000  0.000001000000  0.000000500000 -0.000000300000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000016600000 -0.000007400000  0.000003700000  0.000001900000 -0.000001000000  0.000000500000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000046300000 -0.000020600000  0.000010200000  0.000005400000 -0.000002800000  0.000001300000  0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000110400000 -0.000048900000  0.000024200000  0.000012800000 -0.000006600000  0.000003000000  0.000000800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000227400000 -0.000100500000  0.000049600000  0.000026300000 -0.000013600000  0.000006100000  0.000001700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000428500000 -0.000188900000  0.000093300000  0.000049300000 -0.000025600000  0.000011500000  0.000003200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000728700000 -0.000320700000  0.000158300000  0.000083800000 -0.000043400000  0.000019500000  0.000005400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001295100000 -0.000569200000  0.000280900000  0.000148600000 -0.000076900000  0.000034600000  0.000009500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002524100000 -0.001108300000  0.000547000000  0.000289400000 -0.000149800000  0.000067400000  0.000018600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004890800000 -0.002147400000  0.001059800000  0.000560700000 -0.000290300000  0.000130500000  0.000036000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.009188400000 -0.004040200000  0.001994600000  0.001055400000 -0.000546400000  0.000245700000  0.000067700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.016558700000 -0.007309900000  0.003611400000  0.001911200000 -0.000989600000  0.000445000000  0.000122700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.028675500000 -0.012755700000  0.006311200000  0.003341300000 -0.001730100000  0.000778100000  0.000214500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.047685600000 -0.021493800000  0.010659000000  0.005646400000 -0.002924400000  0.001315300000  0.000362500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.075727500000 -0.034842300000  0.017348100000  0.009199700000 -0.004765600000  0.002143400000  0.000590900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.113777800000 -0.054022900000  0.027043200000  0.014359700000 -0.007443000000  0.003348400000  0.000922800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.162812300000 -0.080798400000  0.040822800000  0.021733000000 -0.011268500000  0.005068900000  0.001398200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.218816500000 -0.115705000000  0.059091200000  0.031534700000 -0.016373700000  0.007370300000  0.002029500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.255349300000 -0.144271000000  0.074853500000  0.040143700000 -0.020846200000  0.009379400000  0.002592300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.217456500000 -0.114342500000  0.056768100000  0.029955900000 -0.015533700000  0.006993800000  0.001910900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.101880000000  0.068814000000 -0.063480900000 -0.038610800000  0.020874500000 -0.009503000000 -0.002582900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.015899500000  0.398207300000 -0.354105000000 -0.219244800000  0.118522400000 -0.053887700000 -0.014977200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000078500000  0.493005000000 -0.534613400000 -0.351636700000  0.194611700000 -0.089110700000 -0.024409300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000089400000  0.177406200000  0.009959200000  0.047432500000 -0.034634000000  0.017072300000  0.004124600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000095300000 -0.011911200000  0.747817000000  0.902146100000 -0.594044200000  0.283962900000  0.080464100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000032900000  0.012033400000  0.479187300000  0.665218300000 -0.464341400000  0.229143700000  0.061424100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000013800000 -0.007186000000  0.066416100000 -0.687592300000  0.721055600000 -0.393462000000 -0.106889300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000012200000  0.004114900000  0.000170200000 -0.844056400000  1.307565700000 -0.803308200000 -0.240328600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000005500000 -0.002044600000  0.000495900000 -0.138330200000 -0.470067000000  0.461789000000  0.152687600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000001700000  0.000894600000 -0.000359900000 -0.000794300000 -1.131706700000  1.157368000000  0.353685500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000001000000 -0.000461900000  0.000106900000 -0.000872000000 -0.177031800000 -0.109977300000 -0.009098500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000000700000  0.000295100000 -0.000064100000  0.000429000000  0.042046200000 -0.933990200000 -0.492321900000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000000200000 -0.000078100000  0.000019900000 -0.000064800000 -0.008595700000 -0.374809200000 -0.256343400000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000000000  0.000015500000 -0.000003600000  0.000014900000  0.001420100000 -0.005731200000  0.764006900000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000000000 -0.000006000000  0.000001400000 -0.000004000000 -0.000532400000  0.000832600000  0.444739600000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  492447700.00000000
   69077975.00000000
   13914203.00000000
    3440345.20000000
     985112.68000000
     317153.75000000
     112162.54000000
      42919.58400000
      17552.54000000
       7600.37920000
       3461.45520000
       1651.80780000
        822.97839000
        426.25674000
        227.58476000
        123.22189000
         68.72355800
         38.44775000
         21.14181100
         11.90803600
          6.50505900
          3.48940810
          1.80066870
          0.83727531
          0.37698652
          0.15388288
  0.000011000000 -0.000005900000 -0.000003200000 -0.000001600000  0.000000600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000034600000 -0.000018600000 -0.000010000000 -0.000005000000  0.000002000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000093500000 -0.000050300000 -0.000026900000 -0.000013500000  0.000005300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000230700000 -0.000124300000 -0.000066500000 -0.000033500000  0.000013100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000538600000 -0.000291000000 -0.000155800000 -0.000078400000  0.000030800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001220900000 -0.000661700000 -0.000354600000 -0.000178400000  0.000070000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002750000000 -0.001497200000 -0.000803300000 -0.000404300000  0.000158800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006224400000 -0.003410400000 -0.001832600000 -0.000922500000  0.000362200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.014261000000 -0.007884900000 -0.004247400000 -0.002140700000  0.000841100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.032811600000 -0.018384800000 -0.009936000000 -0.005008300000  0.001966500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.073783600000 -0.042194200000 -0.022930300000 -0.011588000000  0.004556800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.152185100000 -0.089653900000 -0.049098500000 -0.024829800000  0.009753600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.262721700000 -0.160622800000 -0.088923400000 -0.045202200000  0.017810400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.330487400000 -0.202160600000 -0.111584200000 -0.056425000000  0.022126500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.250224100000 -0.074564600000 -0.023155700000 -0.009333300000  0.003573900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.085933400000  0.277772200000  0.245044800000  0.141293200000 -0.057562600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006712800000  0.505607200000  0.462624400000  0.266077900000 -0.107038800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001075200000  0.296639700000  0.105424500000  0.028818100000 -0.010014000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000734500000  0.052644900000 -0.553436200000 -0.501475700000  0.229036300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000382400000  0.000789500000 -0.544068800000 -0.526311200000  0.234038600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000225600000  0.000327300000 -0.128752900000  0.365374300000 -0.242336100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000130100000 -0.000287100000 -0.004055300000  0.719928200000 -0.499552100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000056200000  0.000060600000 -0.001018000000  0.253066100000 -0.031877900000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000023100000 -0.000027700000  0.000309300000  0.017069700000  0.591211300000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000008800000  0.000010500000 -0.000101000000  0.000422500000  0.507794900000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000002200000 -0.000002800000  0.000021700000 -0.000114600000  0.093745500000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      37290.09600000
       9684.83150000
       3409.20770000
       1405.20590000
        640.47608000
        312.49184000
        160.32262000
         85.85559600
         47.60604800
         27.96062100
         16.97463300
          9.96479410
          5.41020180
          2.79602570
          1.33723700
          0.49613532
          0.17069789
        528.54833e-4
  0.000161700000 -0.000094300000  0.000044600000 -0.000009200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000952100000 -0.000556000000  0.000262700000 -0.000054300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004584600000 -0.002696500000  0.001277200000 -0.000262600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.018648300000 -0.011032300000  0.005229800000 -0.001081400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.062527700000 -0.037581200000  0.017896800000 -0.003682000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.164452800000 -0.100311600000  0.047910800000 -0.009927100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.305580800000 -0.185846900000  0.088813700000 -0.018229900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.358959700000 -0.188779400000  0.085486500000 -0.017778500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.223296200000  0.027537800000 -0.040510400000  0.010161200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.065892100000  0.296595100000 -0.194596500000  0.040336200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.012087700000  0.417937700000 -0.275986300000  0.063051100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000183700000  0.296053000000 -0.060297400000  0.001653400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000297200000  0.070863500000  0.418772100000 -0.107230000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000196900000  0.002271000000  0.525514400000 -0.146399900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000037300000  0.000534400000  0.213284200000  0.050125400000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000018300000 -0.000105700000  0.017764500000  0.350842800000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000005600000  0.000040900000 -0.001025600000  0.513253000000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000001600000 -0.000012400000  0.000351200000  0.354359900000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2094.22510000
        706.74562000
        302.26969000
        146.11926000
         75.13507800
         40.01668400
         21.37919400
         11.31738900
          5.80249690
          2.86074830
          1.34629490
          0.59407939
          0.23517659
 -0.000351600000  0.000134700000  0.000000000000  0.000000000000
 -0.003051700000  0.001164200000  0.000000000000  0.000000000000
 -0.016484300000  0.006346200000  0.000000000000  0.000000000000
 -0.059925000000  0.023022000000  0.000000000000  0.000000000000
 -0.157110800000  0.060899500000  0.000000000000  0.000000000000
 -0.289787400000  0.107430600000  0.000000000000  0.000000000000
 -0.368180700000  0.120654500000  0.000000000000  0.000000000000
 -0.275857800000  0.004905900000  0.000000000000  0.000000000000
 -0.092980800000 -0.243206300000  0.000000000000  0.000000000000
 -0.008817200000 -0.401594000000  0.000000000000  0.000000000000
 -0.000790800000 -0.355786900000  0.000000000000  0.000000000000
 -0.000077000000 -0.200541400000  1.000000000000  0.000000000000
 -0.000088000000 -0.057526900000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/No.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.24el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
NOBELIUM (14s,10p,11d,9f) -> [2s,1p,1d,1f]
********************************************************************************
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on NoQR(3H)
********************************************************************************
    24.0   3
* s-type functions
   14    2
   28889659.19000000
    2475921.37900000
     288717.56130000
      36180.39660000
       5884.05131400
        373.72640220
         62.13166507
         15.37606506
      44941.46154e-4
      32380.40993e-4
       8698.45284e-4
       4125.23119e-4
        901.14224e-4
        348.07661e-4
  0.000175984500 -0.000048160426
  0.000660309590 -0.000180704670
  0.002324093300 -0.000636014370
  0.007658288200 -0.002095983500
  0.018920480000 -0.005177681300
 -0.119377140000  0.032735571000
  0.406782070000 -0.112565420000
 -0.923591090000  0.263325170000
  0.725072160000 -0.229047740000
  0.697022510000 -0.218418930000
 -0.900803140000  0.403366540000
 -0.490172890000  0.359642050000
 -0.016128371000 -0.680067660000
  0.003885260500 -0.535898440000
* p-type functions
   10    1
      12636.50932000
       2349.93215300
        649.18204490
         87.30781839
         17.55491608
      51394.49793e-4
      34736.44718e-4
       8136.25029e-4
       3640.06821e-4
       1437.51149e-4
  0.002683986500
  0.013162503000
  0.035681331000
 -0.143793010000
  0.362542010000
 -0.258108810000
 -0.413643160000
  0.619052040000
  0.475531700000
  0.077248238000
* d-type functions
   11    1
       1331.29223500
        372.88656740
        135.55911290
         26.36203876
         14.25101400
      61899.79856e-4
      32189.43434e-4
       6606.55598e-4
          0.27164854
       1062.07798e-4
        385.77892e-4
 -0.002254076100
 -0.013027250000
 -0.029851998000
  0.068045599000
  0.048818940000
 -0.092018617000
 -0.150433550000
  0.237882750000
  0.395532950000
  0.410215640000
  0.220565590000
* f-type functions
    9    1
        416.30856380
        139.70818040
         57.02157019
         24.99718858
      55357.89421e-4
      26503.70416e-4
      12426.22241e-4
       5557.11265e-4
       2239.27127e-4
 -0.005627701900
 -0.037287021000
 -0.115207250000
 -0.160976700000
  0.294902000000
  0.412795180000
  0.326042480000
  0.169697240000
  0.044606386000
********************************************************************************
* Core AIMP:No DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  6.2393498000e5  1.4379885800e5  4.6452752700e4  1.6319865600e4  5.9383858400e3  2.2185870900e3  9.4886281300e2  3.5800988800e2  1.6208953800e2 32.550356500000 22.029769100000
  6.711056100000  3.693773400000  1.841919000000
  0.045252303417  0.036697418728  0.055135678735  0.075934732303  0.099830680681  0.166667443746  0.242722094576  0.177478384616  0.597555543966  0.873874435713  0.169203261136
  0.478950946051  0.214243736425  0.016453339907
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  1.1083129000e4  2.1726498000e3  5.7278766000e2  1.5785125800e2 37.774620000000
        324.89842e10
        304.197620e9
45797007000.00000000
 9017584600.00000000
 2217541500.00000000
  665488300.00000000
  235112090.00000000
   93565629.00000000
   34428209.00000000
   11470997.00000000
    3800047.00000000
    1303436.80000000
     470673.72000000
     180448.47000000
      74289.26300000
      32768.45600000
      15141.26100000
       7241.47920000
       3585.95650000
       1812.27930000
        918.43375000
        471.84691000
        245.87404000
        121.00148000
         70.28100800
         38.97715000
         21.31802900
         12.02810100
          6.41548170
          3.34614270
          1.32077440
          0.76640180
          0.36074458
        806.11525e-4
        311.10764e-4
  0.000004900000 -0.000002200000  0.000001100000  0.000000600000 -0.000000300000
  0.000018600001 -0.000008300001  0.000004100000  0.000002200000 -0.000001100000
  0.000052400002 -0.000023400003  0.000011600001  0.000006200000 -0.000003200000
  0.000125700005 -0.000056000007  0.000027700001  0.000014700000 -0.000007599999
  0.000256200009 -0.000113900015  0.000056300003  0.000029900000 -0.000015499999
  0.000461400017 -0.000204700026  0.000101200005  0.000053600000 -0.000027899998
  0.000741600027 -0.000328400042  0.000162300008  0.000086000000 -0.000044699996
  0.001250200046 -0.000553000071  0.000273200013  0.000144800001 -0.000075199994
  0.002605100095 -0.001151200147  0.000568700027  0.000301400001 -0.000156599988
  0.005211700190 -0.002302800294  0.001137600055  0.000603000002 -0.000313199975
  0.009806000358 -0.004339000554  0.002144300103  0.001136600004 -0.000590399953
  0.017639300644 -0.007836501000  0.003875600186  0.002054600008 -0.001067399915
  0.030403601111 -0.013612701738  0.006742400323  0.003575900014 -0.001857799852
  0.049941801824 -0.022663602893  0.011251900539  0.005971100024 -0.003102999752
  0.077340102825 -0.035828704574  0.017859900856  0.009488000037 -0.004931099606
  0.115399604216 -0.055152807041  0.027640801325  0.014703700058 -0.007647999390
  0.167264406110 -0.083541110665  0.042254302025  0.022534300089 -0.011720199065
  0.222226908118 -0.118237215095  0.060458802898  0.032326000127 -0.016849698655
  0.251166809175 -0.142029718132  0.073668203531  0.039558100156 -0.020586898357
  0.213540707801 -0.108786113888  0.053284902554  0.028049400110 -0.014626298833
  0.098404903595  0.085040010857 -0.076053003646 -0.046217400182  0.025155097992
  0.012678200463  0.407864452070 -0.366349517561 -0.227833600897  0.123445890147
  0.001017100037  0.479299661190 -0.521084024978 -0.344163701355  0.191936484681
 -0.000777600028  0.170714221794  0.050409102416  0.086826200342 -0.061040595128
  0.000703500026 -0.018005602299  0.761326136495  0.932464503670 -0.615439050880
 -0.000543800020  0.015041801920  0.445618221361  0.604437302379 -0.430433565646
  0.000392000014 -0.009364701196  0.058299302795 -0.751847402959  0.821169634460
 -0.000245300009  0.005505700703 -0.001063000051 -0.803201403161  1.249587900267
  0.000127700005 -0.002792100356  0.001073900051 -0.114610500451 -0.577052353944
 -0.000057300002  0.001240500158 -0.000648700031 -0.001144200005 -1.074120814272
  0.000029500001 -0.000636000081  0.000273700013 -0.000358400001 -0.159640087259
 -0.000019200001  0.000412600053 -0.000176400008  0.000096400000  0.040052996803
  0.000005100000 -0.000110900014  0.000050800002  0.000020400000 -0.008513299321
 -0.000001000000  0.000020900003 -0.000009300000 -0.000003100000  0.001339399893
  0.000000400000 -0.000008000001  0.000003600000  0.000001500000 -0.000502899960
   26    4
  1.7432811000e3  4.5505298000e2  1.1901141400e2 25.103080000000
  480367830.00000000
   67913052.00000000
   13747703.00000000
    3375898.70000000
     966697.86000000
     314081.91000000
     112045.26000000
      42893.58200000
      17545.41100000
       7609.63620000
       3461.22700000
       1649.78690000
        823.07748000
        426.58298000
        227.12643000
        122.97752000
         68.65903800
         38.49108800
         21.20205000
         11.94810200
          6.57427980
          3.49654270
          1.77760970
          0.82803544
          0.37302744
          0.15022828
  0.000011899999 -0.000006400000 -0.000003400000 -0.000001700000
  0.000036999997 -0.000019900000 -0.000010699999 -0.000005400000
  0.000099999991 -0.000053899999 -0.000028899998 -0.000014600000
  0.000248199977 -0.000133999997 -0.000071899996 -0.000036300001
  0.000573699947 -0.000310499993 -0.000166699991 -0.000084100002
  0.001281599882 -0.000695999985 -0.000373899979 -0.000188700005
  0.002876999734 -0.001569699967 -0.000844299953 -0.000426300010
  0.006529499397 -0.003585499924 -0.001931599894 -0.000975300024
  0.014856798628 -0.008234099826 -0.004447299755 -0.002248200054
  0.034058096854 -0.019131899596 -0.010366999429 -0.005241600127
  0.076543192929 -0.043899399072 -0.023925298681 -0.012128300293
  0.156495685543 -0.092470598046 -0.050779797201 -0.025760900623
  0.266418975388 -0.163328296548 -0.090693695000 -0.046247801119
  0.331226269401 -0.201749395736 -0.111325193863 -0.056419501365
  0.244743477390 -0.063282298663 -0.015064399170 -0.004910800119
  0.079313392673  0.296516193733  0.262054485554  0.151697503669
  0.006203899427  0.502924589371  0.460870674594  0.265718906427
  0.000627999942  0.282045894039  0.076567595779  0.008653000209
 -0.000431099960  0.047350398999 -0.575127268295 -0.527319012754
  0.000179499983  0.000672899986 -0.524206171102 -0.503415012176
 -0.000100799991  0.000206299996 -0.115948093608  0.409844309913
  0.000060299994 -0.000224599995 -0.004579199748  0.713683617262
 -0.000023999998  0.000035899999 -0.000493799973  0.229327505547
  0.000010199999 -0.000018300000  0.000111099994  0.013186000319
 -0.000003900000  0.000006700000 -0.000030899998  0.001009200024
  0.000001000000 -0.000001800000  0.000003600000 -0.000208700005
   18    3
  3.6144128000e2 83.161280000000 12.474566000000
      36197.14500000
       9068.20830000
       3148.02210000
       1293.90160000
        591.47639000
        291.34083000
        151.77063000
         83.25829400
         47.91586900
         28.75444300
         17.66178400
         10.63577300
          6.16049100
          3.74376250
          2.40130630
          1.38373020
          0.65282376
          0.13445144
  0.000182900024 -0.000107000000  0.000050699999
  0.001141000148 -0.000669300001  0.000317299994
  0.005569000720 -0.003289900007  0.001562399971
  0.022470402907 -0.013367500028  0.006359099884
  0.073124109459 -0.044225000094  0.021127299614
  0.181655023498 -0.111409800236  0.053403599025
  0.313709640580 -0.190486200403  0.091113898337
  0.337872843705 -0.171942000364  0.076906098596
  0.202458726189  0.038848300082 -0.046354999154
  0.067753308764  0.286368200606 -0.188653896557
  0.010317901335  0.409971400868 -0.273344895011
  0.001141100148  0.290044400614 -0.076504998604
 -0.000357800046  0.084913200180  0.300113694522
  0.000192600025  0.006072100013  0.381709593033
 -0.000163500021  0.002158400005  0.301759094492
  0.000028900004 -0.000178900000  0.172607996849
 -0.000012900002  0.000085500000  0.029388699464
  0.000000400000 -0.000002700000  0.000558099990
   13    1
 48.578518000000
       2116.87310000
        709.22986000
        300.51677000
        143.77918000
         73.80684000
         39.66755400
         21.67292500
         11.90268800
          6.41256250
          3.30259080
          1.58921060
          0.68635396
          0.25311325
 -0.000369800008
 -0.003255200068
 -0.017966700376
 -0.065486501369
 -0.166392803480
 -0.291099006087
 -0.352126407364
 -0.262012805479
 -0.099016302071
 -0.013151400275
 -0.000421000009
 -0.000019900000
 -0.000001500000
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   No.AE.Paulovic.35s26p18d13f.7s5p4d2f.102e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        325.03072e10
         30.70474e10
46420934000.00000000
 9215729700.00000000
 2291886900.00000000
  676630570.00000000
  237908220.00000000
   93251747.00000000
   33395697.00000000
   11255529.00000000
    3797149.20000000
    1310077.50000000
     472130.93000000
     181303.82000000
      74646.58600000
      32760.98400000
      15149.97000000
       7260.77220000
       3579.05350000
       1805.79990000
        921.11242000
        471.63227000
        243.72830000
        120.59203000
         70.15238300
         39.13983600
         21.25151400
         12.02957500
          6.44646540
          3.31528220
          1.31728240
          0.74322266
          0.37729556
        806.27328e-4
        297.49323e-4
  0.000004900000 -0.000002200000  0.000001100000  0.000000600000 -0.000000300000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000018400000 -0.000008300000  0.000004100000  0.000002200000 -0.000001100000  0.000000500000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000051800000 -0.000023200000  0.000011500000  0.000006100000 -0.000003200000  0.000001400000  0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000122800000 -0.000054800000  0.000027100000  0.000014400000 -0.000007500000  0.000003400000  0.000000900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000251500000 -0.000111800000  0.000055300000  0.000029300000 -0.000015200000  0.000006900000  0.000001900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000464600000 -0.000206100000  0.000101900000  0.000054000000 -0.000028100000  0.000012600000  0.000003500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000733000000 -0.000324600000  0.000160400000  0.000085000000 -0.000044200000  0.000019900000  0.000005500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001302000000 -0.000575900000  0.000284500000  0.000150800000 -0.000078400000  0.000035300000  0.000009700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002666900000 -0.001178500000  0.000582200000  0.000308600000 -0.000160400000  0.000072200000  0.000019800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005172800000 -0.002285600000  0.001129100000  0.000598500000 -0.000311000000  0.000140000000  0.000038400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.009694600000 -0.004289600000  0.002119900000  0.001123700000 -0.000584000000  0.000262900000  0.000072100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.017592200000 -0.007815300000  0.003865000000  0.002049100000 -0.001065100000  0.000479500000  0.000131500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.030379500000 -0.013601500000  0.006736900000  0.003573100000 -0.001857300000  0.000836200000  0.000229300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.049647400000 -0.022527800000  0.011184000000  0.005935300000 -0.003085900000  0.001389600000  0.000380900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.077463900000 -0.035881500000  0.017886500000  0.009502700000 -0.004941500000  0.002224900000  0.000610000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.115928100000 -0.055403400000  0.027764100000  0.014769500000 -0.007685300000  0.003461800000  0.000948900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.166342900000 -0.083083200000  0.042029400000  0.022416600000 -0.011667600000  0.005253400000  0.001440800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.222507400000 -0.118340200000  0.060490300000  0.032340500000 -0.016858500000  0.007600300000  0.002082200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.253140200000 -0.143185400000  0.074312900000  0.039915000000 -0.020801900000  0.009362300000  0.002571700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.212155200000 -0.107870900000  0.052679100000  0.027699000000 -0.014408000000  0.006510400000  0.001771900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.097762500000  0.083853200000 -0.074791700000 -0.045417200000  0.024640800000 -0.011266800000 -0.003061500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.013381600000  0.412921400000 -0.371438600000 -0.231089700000  0.125499500000 -0.057055700000 -0.015748200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000627900000  0.480722000000 -0.523192700000 -0.345770800000  0.192540600000 -0.088513800000 -0.024150100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000476100000  0.162528600000  0.063666800000  0.097008000000 -0.065835100000  0.032401100000  0.008429300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000434500000 -0.013074700000  0.750337700000  0.924272100000 -0.613722600000  0.292970300000  0.082341400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000348500000  0.011469600000  0.448979700000  0.602214700000 -0.422818600000  0.211935400000  0.056705900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000253400000 -0.006799100000  0.058640300000 -0.750259400000  0.811432300000 -0.452132000000 -0.123737600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000159300000  0.003918500000 -0.000789700000 -0.798677300000  1.262317700000 -0.774660900000 -0.229913600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000082100000 -0.001936500000  0.000713800000 -0.116345600000 -0.595957600000  0.562337400000  0.180876600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000036400000  0.000843200000 -0.000445300000 -0.001111800000 -1.074151200000  1.123151800000  0.343832600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000018900000 -0.000432800000  0.000159400000 -0.000444300000 -0.143545900000 -0.278095700000 -0.077223100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000012700000  0.000289600000 -0.000101400000  0.000179500000  0.033077300000 -0.816546000000 -0.446277900000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000003800000 -0.000088000000  0.000034500000 -0.000011800000 -0.007698000000 -0.359648400000 -0.237873500000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000000600000  0.000013800000 -0.000005100000  0.000002200000  0.000940900000 -0.011796900000  0.804366600000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000200000 -0.000005000000  0.000001500000  0.000001400000 -0.000343600000  0.003053900000  0.399820900000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  489226210.00000000
   69138321.00000000
   13882200.00000000
    3433583.90000000
     985287.36000000
     315330.47000000
     111783.79000000
      42963.89200000
      17554.82300000
       7597.95840000
       3461.84240000
       1651.98770000
        822.71907000
        426.70881000
        227.93818000
        123.09208000
         68.71074200
         38.52417200
         21.16405500
         11.91556800
          6.51832030
          3.48247660
          1.78097560
          0.83460978
          0.38285384
          0.15590927
  0.000011700000 -0.000006300000 -0.000003400000 -0.000001700000  0.000000700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000036600000 -0.000019700000 -0.000010600000 -0.000005300000  0.000002100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000099300000 -0.000053600000 -0.000028700000 -0.000014500000  0.000005700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000243300000 -0.000131400000 -0.000070500000 -0.000035600000  0.000013900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000569500000 -0.000308200000 -0.000165400000 -0.000083600000  0.000032700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001295100000 -0.000703300000 -0.000377800000 -0.000190900000  0.000074700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002877000000 -0.001569600000 -0.000844300000 -0.000426800000  0.000167200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006502600000 -0.003570900000 -0.001923900000 -0.000972400000  0.000380800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.014903100000 -0.008258900000 -0.004460600000 -0.002257500000  0.000884700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.034118300000 -0.019168700000 -0.010388400000 -0.005258100000  0.002059000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.076271400000 -0.043735900000 -0.023834200000 -0.012096000000  0.004744800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.156470600000 -0.092471900000 -0.050790500000 -0.025793000000  0.010104000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.267060900000 -0.163656200000 -0.090853700000 -0.046385000000  0.018234300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.329716000000 -0.201065500000 -0.111035800000 -0.056324500000  0.022010300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.244800200000 -0.063783200000 -0.015378200000 -0.005133300000  0.001919600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.080692200000  0.295835700000  0.261469700000  0.151651400000 -0.061706600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005606000000  0.503022800000  0.461433600000  0.266143700000 -0.106602400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001031900000  0.282559900000  0.076089500000  0.008783200000 -0.001831100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000702000000  0.047632600000 -0.577167300000 -0.531530600000  0.243499600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000359200000  0.000414300000 -0.523648300000 -0.499056500000  0.218282700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000206300000  0.000317300000 -0.114601400000  0.416744300000 -0.271352300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000117800000 -0.000283000000 -0.003612300000  0.709167200000 -0.494160800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000051200000  0.000064700000 -0.000755000000  0.226099200000  0.013101000000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000021800000 -0.000029800000  0.000227100000  0.012757200000  0.589118600000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000008400000  0.000011400000 -0.000072900000  0.000829400000  0.489040800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000002100000 -0.000002900000  0.000014000000 -0.000209700000  0.092814300000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      40156.99600000
       9890.47840000
       3347.80340000
       1349.47480000
        608.58649000
        296.76672000
        152.63982000
         81.72102200
         44.60888500
         24.37266400
         13.48811000
          7.36231530
          3.88943600
          1.96336430
          0.91125357
          0.35683116
          0.12874681
        429.77166e-4
  0.000157400000  0.000092100000  0.000043800000 -0.000008800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001010500000  0.000592600000  0.000281500000 -0.000056400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005125200000  0.003026300000  0.001442300000 -0.000288600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.021320800000  0.012678900000  0.006042400000 -0.001210700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.070966600000  0.042885500000  0.020561800000 -0.004117300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.180266100000  0.110556300000  0.053073700000 -0.010650500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.320838400000  0.194872000000  0.093698000000 -0.018754300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.356779900000  0.178689300000  0.078910100000 -0.015653600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.207994400000 -0.086776200000 -0.076104300000  0.016654500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.049818800000 -0.428588500000 -0.285816400000  0.059968300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002709100000 -0.437029800000 -0.249435500000  0.051081700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000287800000 -0.158038500000  0.220981200000 -0.063468300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000186700000 -0.014955900000  0.549650500000 -0.140317500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000019500000 -0.000740600000  0.358265500000 -0.068133400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000024700000  0.000055400000  0.075140700000  0.159843400000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000005000000 -0.000042000000  0.002348600000  0.392574200000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000002200000  0.000014600000  0.000360000000  0.465579800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000700000 -0.000004100000 -0.000079200000  0.274911300000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2260.60260000
        743.75048000
        313.67655000
        150.24681000
         76.37505900
         40.14771900
         21.33292400
         11.37822100
          5.97820440
          3.02417530
          1.45834180
          0.65425951
          0.25694188
 -0.000323800000  0.000125700000  0.000000000000  0.000000000000
 -0.002956700000  0.001145700000  0.000000000000  0.000000000000
 -0.016388100000  0.006395300000  0.000000000000  0.000000000000
 -0.060827500000  0.023739900000  0.000000000000  0.000000000000
 -0.163320000000  0.064148700000  0.000000000000  0.000000000000
 -0.301003400000  0.113076000000  0.000000000000  0.000000000000
 -0.368765900000  0.120080800000  0.000000000000  0.000000000000
 -0.261382700000 -0.004683900000  0.000000000000  0.000000000000
 -0.086724400000 -0.241235800000  0.000000000000  0.000000000000
 -0.009711100000 -0.388659700000  0.000000000000  0.000000000000
 -0.000687500000 -0.350949700000  0.000000000000  0.000000000000
 -0.000264800000 -0.208471800000  1.000000000000  0.000000000000
 -0.000080400000 -0.063518000000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Lr.DK3-AIMP.Paulovic.14s10p11d9f.2s1p1d1f.ECP.25el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
LAWRENCIUM (14s,10p,11d,9f) -> [2s,1p,1d,1f]
********************************************************************************
* valence basis set (14s10p11d9f) optimized in HF DK3-AIMP calc. on LrQR(2D)
********************************************************************************
    25.0   3
* s-type functions
   14    2
   29603573.49000000
    2553249.50800000
     285612.34860000
      36522.78999000
       6069.24847800
        386.87534760
         63.77090285
         15.98068406
      46698.02501e-4
      34877.43967e-4
       9016.96917e-4
       4301.28723e-4
          0.09623848
        367.98905e-4
  0.000183063390 -0.000049975152
  0.000697046060 -0.000190291660
  0.002447154300 -0.000668053620
  0.007763943600 -0.002119708100
  0.018642957000 -0.005089224900
 -0.118777690000  0.032491391000
  0.409785480000 -0.113126260000
 -0.925872560000  0.263293050000
  0.657051740000 -0.209118010000
  0.754740960000 -0.232521710000
 -0.887155240000  0.390883290000
 -0.495489050000  0.369159180000
 -0.016721524000 -0.649175400000
  0.003772400100 -0.569597560000
* p-type functions
   10    1
      13212.07623000
       2456.80003000
        673.06351420
         89.61858782
         18.02130380
      57085.79713e-4
      37002.81794e-4
          0.84333116
       3778.96216e-4
       1486.16367e-4
  0.002649780000
  0.012920438000
  0.035532593000
 -0.142773370000
  0.363582810000
 -0.198334860000
 -0.470683800000
  0.609757390000
  0.481522770000
  0.080275906000
* d-type functions
   11    1
       1352.66123000
        378.75266170
        138.14393530
         27.33017464
         14.94155301
      64596.56306e-4
      33691.69173e-4
       6812.85434e-4
       2738.74811e-4
       1034.74924e-4
        366.12382e-4
 -0.002179918300
 -0.012503338000
 -0.028219082000
  0.063148084000
  0.047370011000
 -0.084596816000
 -0.144114500000
  0.233476670000
  0.399974840000
  0.419925570000
  0.219817610000
* f-type functions
    9    1
        432.30563740
        144.52794380
         58.97470791
         25.89801989
      57680.66726e-4
      27809.23921e-4
      13127.29676e-4
       5872.14025e-4
       2340.52741e-4
 -0.005591552700
 -0.037413788000
 -0.116013710000
 -0.162873740000
  0.295430870000
  0.409499570000
  0.325417510000
  0.171779950000
  0.044915642000
********************************************************************************
* Core AIMP:Lr DK3  [Xe,4f,5d]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  6.2620434000e5  1.4461970100e5  4.6743938600e4  1.6395030100e4  5.9613007400e3  2.2445816800e3  9.6703389700e2  3.6536890400e2  1.6658833000e2 33.331748200000 22.109860300000
  6.924968400000  3.830432400000  1.938293800000
  0.044211492414  0.035689722514  0.053486293817  0.073453372447  0.096354905839  0.160894813681  0.231010477715  0.170107389635  0.572597529381  0.863179911320  0.137952651641
  0.463216315851  0.202519540198  0.015325583548
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  1.1366933200e4  2.2376132000e3  5.9167036000e2  1.6405377400e2 39.765594000000
        396.74449e10
        309.984460e9
44219987000.00000000
 8664208900.00000000
 2190531200.00000000
  652910030.00000000
  231719300.00000000
   95239269.00000000
   35362672.00000000
   11834136.00000000
    3867554.90000000
    1303302.50000000
     464607.24000000
     178507.68000000
      74219.30100000
      32794.92800000
      15070.36000000
       7219.95680000
       3605.18380000
       1813.68380000
        903.44198000
        468.13900000
        245.41320000
        115.80165000
         69.77765700
         39.11966200
         20.89673100
         12.13820100
          6.37653710
          3.33531460
          1.34053080
          0.72285688
          0.36247974
        851.77924e-4
        316.72413e-4
  0.000005100000 -0.000002300000  0.000001100000  0.000000600000 -0.000000300000
  0.000021199998 -0.000009600000  0.000004800000  0.000002500000 -0.000001300000
  0.000059499994 -0.000026799999  0.000013300000  0.000007100000 -0.000003700000
  0.000138299987 -0.000062099999  0.000030699999  0.000016299999 -0.000008500000
  0.000275799973 -0.000123399997  0.000061099999  0.000032399998 -0.000016900000
  0.000509799951 -0.000227699995  0.000112599997  0.000059799997 -0.000031200001
  0.000775999925 -0.000345899993  0.000171099996  0.000090899996 -0.000047400001
  0.001295199875 -0.000576699988  0.000285199993  0.000151399993 -0.000079000002
  0.002705599739 -0.001203399975  0.000595099986  0.000315999984 -0.000164800004
  0.005441599475 -0.002419799949  0.001196599972  0.000635299969 -0.000331400008
  0.010396198998 -0.004629399903  0.002290099946  0.001216099940 -0.000634300015
  0.018797498188 -0.008404399824  0.004160399903  0.002209499891 -0.001152700027
  0.032174496898 -0.014500799696  0.007190199832  0.003820399811 -0.001993200047
  0.051667995018 -0.023603299505  0.011729599725  0.006235299692 -0.003253800077
  0.079184092365 -0.036931599225  0.018433799568  0.009812599515 -0.005121800121
  0.118941388532 -0.057213598800  0.028693699328  0.015285899245 -0.007982800189
  0.171699083445 -0.086385198188  0.043778198975  0.023406098844 -0.012229600289
  0.222018678593 -0.118716697510  0.060674998579  0.032456798397 -0.016978000401
  0.248420176048 -0.140679197050  0.073148298287  0.039437998052 -0.020636500488
  0.212619079500 -0.103280497834  0.049048898851  0.025431298744 -0.013227200313
  0.092643691067  0.106235197772 -0.091366897860 -0.054962097285  0.029857200705
  0.009417799092  0.416154491272 -0.381419491067 -0.239726188157  0.130932003093
  0.001611599845  0.469781690148 -0.503239988214 -0.330749783660  0.184787104366
 -0.001331099872  0.164411196552  0.114504097318  0.146454492765 -0.098225102321
  0.001259899879 -0.035423899257  0.747545382493  0.945528253287 -0.632890214953
 -0.000882099915  0.022060799537  0.417059790233  0.513450974634 -0.359490008493
  0.000621699940 -0.013687099713  0.051535298793 -0.801527960401  0.903303821342
 -0.000399299962  0.008379399824 -0.002938999931 -0.732930063790  1.156594027326
  0.000196299981 -0.004033699915  0.001439999966 -0.114395194348 -0.666840715755
 -0.000088399991  0.001805699962 -0.000768299982  0.006318599688 -1.019181024080
  0.000042199996 -0.000860199982  0.000308099993 -0.003525799826 -0.119557202825
 -0.000027099997  0.000551999988 -0.000193399995  0.002163899893  0.023165800547
  0.000008799999 -0.000180299996  0.000065899998 -0.000670499967 -0.005711000135
 -0.000001600000  0.000032299999 -0.000011600000  0.000122399994  0.000790000019
  0.000000600000 -0.000011500000  0.000004200000 -0.000043799998 -0.000274100006
   26    4
  1.7866477600e3  4.6830624000e2  1.2339554000e2 26.470290000000
  370823890.00000000
   55960854.00000000
   12078576.00000000
    3116104.50000000
     306639.62000000
     920718.16000000
     111343.65000000
      43139.10100000
      17688.12900000
       7644.47660000
       3468.45480000
       1647.57370000
        817.37833000
        422.57661000
        225.98536000
        124.10979000
         70.04369700
         39.66171200
         21.34273300
         11.89699500
          6.46228490
          3.41332310
          1.70526420
          0.82660041
          0.38674833
          0.16221806
  0.000014900001 -0.000008000000 -0.000004300000 -0.000002200000
  0.000043200002 -0.000023300001 -0.000012500000 -0.000006400000
  0.000111600006 -0.000060300003 -0.000032399999 -0.000016400000
  0.000270100014 -0.000146100008 -0.000078599997 -0.000039800000
  0.001347800067 -0.000733400039 -0.000394999985 -0.000200300002
  0.000613600031 -0.000332800018 -0.000179099993 -0.000090800001
  0.002990000149 -0.001634900086 -0.000881599966 -0.000447300006
  0.006739500337 -0.003708400196 -0.002003199923 -0.001016500013
  0.015408500770 -0.008560500452 -0.004634899821 -0.002354800029
  0.035369101768 -0.019913501053 -0.010822199582 -0.005499300068
  0.079192503959 -0.045558202408 -0.024889999039 -0.012681600158
  0.162028508099 -0.095988505074 -0.052887797958 -0.026966500335
  0.274028913698 -0.168589108911 -0.093815896378 -0.048090200598
  0.330815916536 -0.199800010561 -0.110318895741 -0.056104300697
  0.233811011687 -0.049843102635 -0.005202299799  0.000395300005
  0.073474803673  0.302046515965  0.265766689740  0.154932101925
  0.006531800327  0.492378526026  0.457014482357  0.264807203290
  0.000250700013  0.282162314914  0.066368997438  0.001966300024
 -0.000187500009  0.049530902618 -0.602628776735 -0.564714307017
  0.000029200001 -0.001868700099 -0.509109280346 -0.471690305861
 -0.000013900001  0.001288900068 -0.098226696208  0.483682306010
  0.000016200001 -0.000768700041 -0.003214499876  0.693429208616
 -0.000004700000  0.000309000016 -0.000352999986  0.187897602335
  0.000002400000 -0.000145400008  0.000082499997  0.006413300080
 -0.000000900000  0.000056400003 -0.000017899999  0.001711100021
  0.000000200000 -0.000014000001  0.000000200000 -0.000401000005
   18    3
  3.7181700000e2 86.460158000000 13.405497000000
      33883.21900000
       8462.20610000
       2945.41430000
       1216.58070000
        560.42849000
        280.51156000
        149.61578000
         84.18176800
         48.47018500
         27.10565900
         15.06318700
          8.20715220
          4.35722640
          2.22659410
          1.06480620
          0.39734160
          0.13720912
        433.47259e-4
  0.000213699998  0.000125600001  0.000060000004
  0.001346599987  0.000793600009  0.000379200027
  0.006528799936  0.003872800043  0.001855000130
  0.025909599747  0.015500300171  0.007433600523
  0.081288299208  0.049424700544  0.023826001676
  0.189727598151  0.116966301287  0.056498603973
  0.308064896997  0.186900102057  0.090168806341
  0.324976496832  0.164974801815  0.073607305177
  0.209983297953 -0.051313500565 -0.054422003827
  0.064904499367 -0.385738804245 -0.260005118285
  0.003629799965 -0.466355605132 -0.286439520144
  0.000950099991 -0.193071802125  0.155844110960
 -0.000528599995 -0.021699400239  0.539037137908
  0.000169999998 -0.001054300012  0.394568127748
 -0.000086499999  0.000032000000  0.101180607116
  0.000022300000 -0.000043100000  0.005176500364
 -0.000008500000  0.000013600000 -0.000088000006
  0.000002600000 -0.000003800000  0.000049900004
   13    1
 51.130960000000
       2124.28080000
        709.41607000
        300.46753000
        143.66872000
         73.74290200
         39.62764000
         21.69452700
         11.94055500
          6.44173870
          3.30920890
          1.60269060
          0.71663710
          0.28133596
 -0.000394099993
 -0.003469799942
 -0.019055399679
 -0.068875498840
 -0.173113497085
 -0.297296394994
 -0.351268394085
 -0.253228095736
 -0.091621898457
 -0.011338899809
 -0.000306599995
 -0.000020100000
  0.000001400000
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Lr.AE.Paulovic.35s26p18d13f.7s5p4d2f.103e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        396.74449e10
        309.984460e9
44219987000.00000000
 8664208900.00000000
 2190531200.00000000
  652910030.00000000
  231719300.00000000
   95239269.00000000
   35362672.00000000
   11834136.00000000
    3867554.90000000
    1303302.50000000
     464607.24000000
     178507.68000000
      74219.30100000
      32794.92800000
      15070.36000000
       7219.95680000
       3605.18380000
       1813.68380000
        903.44198000
        468.13900000
        245.41320000
        115.80165000
         69.77765700
         39.11966200
         20.89673100
         12.13820100
          6.37653710
          3.33531460
          1.34053080
          0.72285688
          0.36247974
        851.77924e-4
        316.72413e-4
  0.000005100000 -0.000002300000  0.000001100000  0.000000600000 -0.000000300000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000021200000 -0.000009600000  0.000004800000  0.000002500000 -0.000001300000 -0.000000600000  0.000000200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000059500000 -0.000026800000  0.000013300000  0.000007100000 -0.000003700000 -0.000001700000  0.000000500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000138300000 -0.000062100000  0.000030700000  0.000016300000 -0.000008500000 -0.000003800000  0.000001000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000275800000 -0.000123400000  0.000061100000  0.000032400000 -0.000016900000 -0.000007600000  0.000002100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000509800000 -0.000227700000  0.000112600000  0.000059800000 -0.000031200000 -0.000014100000  0.000003800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000776000000 -0.000345900000  0.000171100000  0.000090900000 -0.000047400000 -0.000021400000  0.000005800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001295200000 -0.000576700000  0.000285200000  0.000151400000 -0.000079000000 -0.000035600000  0.000009700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002705600000 -0.001203400000  0.000595100000  0.000316000000 -0.000164800000 -0.000074300000  0.000020300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005441600000 -0.002419800000  0.001196600000  0.000635300000 -0.000331400000 -0.000149300000  0.000040800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.010396200000 -0.004629400000  0.002290100000  0.001216100000 -0.000634300000 -0.000285900000  0.000078000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.018797500000 -0.008404400000  0.004160400000  0.002209500000 -0.001152700000 -0.000519500000  0.000141800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.032174500000 -0.014500800000  0.007190200000  0.003820400000 -0.001993200000 -0.000898300000  0.000245100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.051668000000 -0.023603300000  0.011729600000  0.006235300000 -0.003253800000 -0.001466500000  0.000400200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.079184100000 -0.036931600000  0.018433800000  0.009812600000 -0.005121800000 -0.002308300000  0.000630000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.118941400000 -0.057213600000  0.028693700000  0.015285900000 -0.007982800000 -0.003599100000  0.000982000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.171699100000 -0.086385200000  0.043778200000  0.023406100000 -0.012229600000 -0.005512200000  0.001504900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.222018700000 -0.118716700000  0.060675000000  0.032456700000 -0.016978000000 -0.007660700000  0.002089000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.248420200000 -0.140679200000  0.073148300000  0.039438000000 -0.020636600000 -0.009298700000  0.002542700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.212619100000 -0.103280500000  0.049048800000  0.025431300000 -0.013227200000 -0.005975100000  0.001617900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.092643700000  0.106235300000 -0.091366800000 -0.054962000000  0.029857300000  0.013642200000 -0.003696900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.009417700000  0.416154600000 -0.381419400000 -0.239725900000  0.130932700000  0.059630500000 -0.016381000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001611600000  0.469782000000 -0.503240000000 -0.330750000000  0.184786900000  0.085011500000 -0.023095000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.001331300000  0.164411200000  0.114504100000  0.146454400000 -0.098225700000 -0.047920100000  0.012649500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001260100000 -0.035424100000  0.747546000000  0.945528300000 -0.632891900000 -0.302897300000  0.084740500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000882300000  0.022060500000  0.417060300000  0.513452500000 -0.359488200000 -0.181297200000  0.048066300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000621700000 -0.013687100000  0.051535000000 -0.801530600000  0.903307800000  0.510451000000 -0.139921500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000399300000  0.008379200000 -0.002939400000 -0.732932700000  1.156590300000  0.709464000000 -0.209862800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000196300000 -0.004033700000  0.001439500000 -0.114393500000 -0.666843700000 -0.634831300000  0.201884600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000088400000  0.001805600000 -0.000768600000  0.006321100000 -1.019181600000 -1.069574900000  0.326377200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000042200000 -0.000860300000  0.000307800000 -0.003525200000 -0.119554400000  0.364779900000 -0.113026500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000027100000  0.000552000000 -0.000193200000  0.002163200000  0.023161200000  0.821371500000 -0.456761400000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000008800000 -0.000180200000  0.000065800000 -0.000672500000 -0.005703900000  0.289972800000 -0.200371800000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000001600000  0.000032300000 -0.000011600000  0.000122500000  0.000788000000  0.008460700000  0.782218100000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000600000 -0.000011600000  0.000003900000 -0.000040300000 -0.000272500000 -0.001920200000  0.426246700000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  370823890.00000000
   55960854.00000000
   12078576.00000000
    3116104.50000000
     306639.62000000
     920718.16000000
     111343.65000000
      43139.10100000
      17688.12900000
       7644.47660000
       3468.45480000
       1647.57370000
        817.37833000
        422.57661000
        225.98536000
        124.10979000
         70.04369700
         39.66171200
         21.34273300
         11.89699500
          6.46228490
          3.41332310
          1.70526420
          0.82660041
          0.38674833
          0.16221806
  0.000014900000 -0.000008000000 -0.000004300000 -0.000002200000  0.000000900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000043200000 -0.000023300000 -0.000012500000 -0.000006400000  0.000002500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000111600000 -0.000060300000 -0.000032400000 -0.000016400000  0.000006400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000270100000 -0.000146100000 -0.000078600000 -0.000039800000  0.000015600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001347800000 -0.000733400000 -0.000395000000 -0.000200300000  0.000078200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000613600000 -0.000332800000 -0.000179100000 -0.000090800000  0.000035500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002990000000 -0.001634900000 -0.000881600000 -0.000447300000  0.000174700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006739500000 -0.003708400000 -0.002003200000 -0.001016500000  0.000396800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.015408500000 -0.008560500000 -0.004634900000 -0.002354800000  0.000920000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.035369100000 -0.019913500000 -0.010822200000 -0.005499300000  0.002147400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.079192500000 -0.045558200000 -0.024890000000 -0.012681600000  0.004958500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.162028500000 -0.095988600000 -0.052887800000 -0.026966500000  0.010535900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.274028800000 -0.168589100000 -0.093815900000 -0.048090200000  0.018839400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.330815900000 -0.199800000000 -0.110318900000 -0.056104300000  0.021872500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.233811000000 -0.049843100000 -0.005202300000  0.000395300000 -0.000331900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.073474800000  0.302046600000  0.265766700000  0.154932100000 -0.062758100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006531800000  0.492378500000  0.457014500000  0.264807100000 -0.106037200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000250700000  0.282162300000  0.066369000000  0.001966300000  0.001680000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000187500000  0.049530900000 -0.602628700000 -0.564714300000  0.257431300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000029200000 -0.001868700000 -0.509109400000 -0.471690200000  0.204904900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000013900000  0.001288900000 -0.098226700000  0.483682200000 -0.315423300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000016200000 -0.000768700000 -0.003214500000  0.693429000000 -0.475163300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000004700000  0.000309000000 -0.000353000000  0.187897900000  0.066356800000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000002400000 -0.000145400000  0.000082500000  0.006413300000  0.584367600000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000000900000  0.000056400000 -0.000017900000  0.001711100000  0.464011100000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000200000 -0.000014000000  0.000000200000 -0.000401100000  0.093600200000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      33883.21900000
       8462.20610000
       2945.41430000
       1216.58070000
        560.42849000
        280.51156000
        149.61578000
         84.18176800
         48.47018500
         27.10565900
         15.06318700
          8.20715220
          4.35722640
          2.22659410
          1.06480620
          0.39734160
          0.13720912
        433.47259e-4
  0.000213700000  0.000125600000  0.000060000000 -0.000011600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001346600000  0.000793600000  0.000379200000 -0.000073700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006528800000  0.003872800000  0.001855000000 -0.000359200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.025909600000  0.015500300000  0.007433600000 -0.001445800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.081288300000  0.049424700000  0.023826000000 -0.004615400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.189727600000  0.116966300000  0.056498600000 -0.011018800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.308064900000  0.186900100000  0.090168800000 -0.017394600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.324976500000  0.164974800000  0.073607300000 -0.014381800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.209983300000 -0.051313500000 -0.054422000000  0.012167000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.064904500000 -0.385738800000 -0.260005000000  0.052186000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003629800000 -0.466355500000 -0.286439500000  0.059009600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000950100000 -0.193071900000  0.155844100000 -0.048468900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000528600000 -0.021699400000  0.539036900000 -0.130103500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000170000000 -0.001054300000  0.394568300000 -0.089811600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000086500000  0.000032000000  0.101180700000  0.131316000000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000022300000 -0.000043100000  0.005176500000  0.383789100000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000008500000  0.000013600000 -0.000088000000  0.486174200000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000002600000 -0.000003800000  0.000049900000  0.303248500000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2124.28080000
        709.41607000
        300.46753000
        143.66872000
         73.74290200
         39.62764000
         21.69452700
         11.94055500
          6.44173870
          3.30920890
          1.60269060
          0.71663710
          0.28133596
 -0.000394100000 -0.000154100000  0.000000000000  0.000000000000
 -0.003469800000 -0.001359200000  0.000000000000  0.000000000000
 -0.019055400000 -0.007497800000  0.000000000000  0.000000000000
 -0.068875500000 -0.027175200000  0.000000000000  0.000000000000
 -0.173113400000 -0.068494300000  0.000000000000  0.000000000000
 -0.297296400000 -0.112159800000  0.000000000000  0.000000000000
 -0.351268300000 -0.114256400000  0.000000000000  0.000000000000
 -0.253228100000  0.001413100000  0.000000000000  0.000000000000
 -0.091621900000  0.225460900000  0.000000000000  0.000000000000
 -0.011338900000  0.383028400000  0.000000000000  0.000000000000
 -0.000306600000  0.359755000000  0.000000000000  0.000000000000
 -0.000020100000  0.218114800000  1.000000000000  0.000000000000
  0.000001400000  0.068412600000  0.000000000000  1.000000000000
End of Spectral Representation Operator

********************************************************************************
*         C.3.3.2.b. Actinide Elements (core [Xe,4f])
********************************************************************************

/Th.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.22el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
THORIUM (14s,10p,12d,9f) -> [2s,1p,2d,1f]
********************************************************************************
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on ThQR(5I)
********************************************************************************
    22.0   3
* s-type functions
   14    2
    8815339.55300000
     767867.96530000
      89900.07932000
      14720.13955000
       3094.53257800
        250.90098090
         42.39115690
      99692.57822e-4
      23045.49993e-4
      12828.30077e-4
       4962.87216e-4
          0.23204885
        638.69808e-4
        258.92138e-4
  0.000153859140 -0.000046397482
  0.000649820820 -0.000195962160
  0.002336638800 -0.000704629970
  0.007145453600 -0.002155003900
  0.016773083000 -0.005058126400
 -0.109113110000  0.032962240000
  0.349947060000 -0.106547800000
 -0.772129330000  0.241704350000
  1.171795600000 -0.411519140000
  0.152987540000 -0.046137563000
 -0.977359500000  0.491271520000
 -0.424452650000  0.355655450000
 -0.013684868000 -0.615497350000
  0.001351874900 -0.634121160000
* p-type functions
   10    1
       8980.90918700
       1678.91430900
        462.73260390
         62.21297309
         11.95693007
      27729.63419e-4
      17255.71499e-4
       5308.13405e-4
       2492.92426e-4
       1043.92351e-4
  0.002048978600
  0.011354318000
  0.032366711000
 -0.126525360000
  0.313573300000
 -0.436833130000
 -0.226945790000
  0.591229430000
  0.503654680000
  0.094698995000
* d-type functions
   12    2
        954.33298100
        269.36792790
         97.47747666
         17.52599744
      71879.53393e-4
      46497.41433e-4
      19608.56897e-4
       8871.69728e-4
       4466.53826e-4
       1955.66225e-4
          0.08128654
        323.31473e-4
  0.009280919800 -0.002190243600
  0.054614634000 -0.012997703000
  0.125145440000 -0.029378591000
 -0.311519680000  0.077360781000
 -0.325831320000  0.079258858000
  0.414638230000 -0.119457580000
  0.615238870000 -0.188271820000
  0.258634390000 -0.018144971000
  0.024683393000  0.233495500000
  0.005857369400  0.428175680000
 -0.001512428300  0.402334240000
  0.000522107140  0.164957160000
* f-type functions
    9    1
        264.68168380
         88.62183537
         35.73405926
         15.25000118
      30006.74844e-4
      13204.86503e-4
       5619.83591e-4
       2231.01957e-4
        780.16541e-4
 -0.004687965000
 -0.029428129000
 -0.084650127000
 -0.111375600000
  0.228385250000
  0.389600560000
  0.377529280000
  0.248153020000
  0.101549310000
********************************************************************************
* Core AIMP:Th DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  6.8743848000e5  1.6575669600e5  5.5461983700e4  2.0251634900e4  7.8009541700e3  3.0418236800e3  1.2381327000e3  5.7457823400e2  2.0932274700e2  1.0872033300e2 22.683600700000
 12.682082800000  4.833778500000  2.575772160000
  0.036055290986  0.028677109884  0.044222300569  0.064275399981  0.084666965021  0.110896244110  0.192848038526  0.234369480445  0.205380375747  0.587099383563  0.794274464592
  0.313058801505  0.324588956823  0.070496279156
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  8.1202784000e3  1.5182022400e3  3.8661064000e2  1.0052086800e2 23.170256000000
        326.65313e10
        310.476820e9
48590502000.00000000
10009456000.00000000
 2503116700.00000000
  726985140.00000000
  241498670.00000000
   86685553.00000000
   30891912.00000000
   10737389.00000000
    3721407.30000000
    1313761.00000000
     479917.37000000
     184601.85000000
      75356.43500000
      32757.50900000
      15103.31800000
       7258.40120000
       3578.81240000
       1803.32470000
        924.23847000
        469.58869000
        243.08611000
        126.33571000
         70.38138500
         39.22485900
         21.17095700
         12.26719900
          6.80958440
          3.21161520
          1.63777470
          0.75934918
          0.33378405
        762.25497e-4
        306.35439e-4
  0.000001500000 -0.000000600000  0.000000300000  0.000000200000 -0.000000100000
  0.000005999999 -0.000002500000  0.000001200000  0.000000600000 -0.000000300000
  0.000017699998 -0.000007400000  0.000003600000  0.000001900000 -0.000000900000
  0.000044199996 -0.000018300001  0.000008900000  0.000004600000 -0.000002300000
  0.000097899990 -0.000040400001  0.000019700000  0.000010200000 -0.000005000000
  0.000195499980 -0.000080600003  0.000039300000  0.000020299999 -0.000009900001
  0.000358099964 -0.000147500005  0.000071900000  0.000037099999 -0.000018100001
  0.000671999933 -0.000276600009  0.000134700000  0.000069599998 -0.000034000002
  0.001334199867 -0.000548900018  0.000267400000  0.000138099996 -0.000067400004
  0.002650699735 -0.001090900036  0.000531400001  0.000274499992 -0.000134000008
  0.005143399486 -0.002120100070  0.001033000002  0.000533599984 -0.000260500015
  0.009718999029 -0.004020900133  0.001960500003  0.001012699969 -0.000494400028
  0.017709398230 -0.007376700244  0.003600800006  0.001860799943 -0.000908600052
  0.030912396911 -0.013026300432  0.006371600010  0.003293999899 -0.001608300092
  0.051852394819 -0.022252000737  0.010918300017  0.005650299827 -0.002760200158
  0.083127091694 -0.036690101216  0.018093700029  0.009371399712 -0.004577100262
  0.128110087199 -0.058947201953  0.029281800046  0.015206199533 -0.007437700426
  0.189100281105 -0.092717403073  0.046619200074  0.024251899256 -0.011852200679
  0.250210274999 -0.134478004456  0.068782100109  0.036018698895 -0.017673401012
  0.258867874134 -0.154084605106  0.080550300128  0.042238298704 -0.020642801182
  0.168982883115 -0.069094902290  0.030718600049  0.015631099520 -0.007736500443
  0.045390395465  0.222236707365 -0.178078400282 -0.104862796782  0.053341803056
  0.000577799942  0.522106317302 -0.509857400807 -0.314387190352  0.160149809174
  0.001154399885  0.351340111643 -0.404611100641 -0.275431391548  0.147974108476
 -0.000943799906  0.048082301593  0.410835400650  0.413052587325 -0.247345014169
  0.000630399937  0.011366900377  0.749854601187  0.986382469731 -0.609792334931
 -0.000461899954 -0.006148200204  0.270014900427  0.190941794141 -0.122772807033
  0.000317599968  0.003919600130  0.001061600002 -0.923540671659  0.965008955278
 -0.000152199985 -0.001999400066  0.008223600013 -0.595841881715  0.853257948877
  0.000066899993  0.000896900030 -0.003142400005 -0.054198098337 -0.894314251229
 -0.000034799997 -0.000451700015  0.001403500002  0.004659999857 -0.759312543496
  0.000013799999  0.000180600006 -0.000571100001 -0.001587299951 -0.037414002143
 -0.000004200000 -0.000056700002  0.000184400000  0.000508199984 -0.003592300206
  0.000001000000  0.000013600000 -0.000043200000 -0.000099699997  0.000903700052
 -0.000000400000 -0.000005500000  0.000017400000  0.000040299999 -0.000379200022
   26    4
  1.2782412200e3  3.1852730000e2 77.833364000000 16.018769000000
  513699160.00000000
   72421457.00000000
   14656467.00000000
    3626770.80000000
    1033739.10000000
     328733.08000000
     114502.16000000
      43192.75800000
      17522.32200000
       7571.81700000
       3457.32560000
       1654.56170000
        825.21610000
        426.98117000
        227.71204000
        123.67773000
         68.08675600
         37.99941800
         20.91984100
         11.37448200
          6.15641510
          3.18598650
          1.62912310
          0.73712707
          0.34729667
          0.14257602
  0.000005400000 -0.000002900000 -0.000001500000 -0.000000700000
  0.000017300000 -0.000009100000 -0.000004700000 -0.000002200000
  0.000047500000 -0.000025000001 -0.000012899999 -0.000006100000
  0.000119500001 -0.000063000002 -0.000032599999 -0.000015400001
  0.000286900002 -0.000151500004 -0.000078499997 -0.000037000001
  0.000673200004 -0.000356400009 -0.000184799992 -0.000087000003
  0.001574100009 -0.000836400021 -0.000434199981 -0.000204400008
  0.003695200021 -0.001973700051 -0.001025799956 -0.000483400018
  0.008756300050 -0.004711700121 -0.002452999895 -0.001155400043
  0.020863900118 -0.011349200292 -0.005925699746 -0.002796600105
  0.049025900278 -0.027129600697 -0.014222499390 -0.006708000251
  0.108519900614 -0.061676901585 -0.032566398604 -0.015421100578
  0.208445801180 -0.123003303161 -0.065557097189 -0.031026601162
  0.311351801763 -0.191089004911 -0.103104995580 -0.049176201842
  0.307307101740 -0.167003904292 -0.085245396345 -0.039546801482
  0.159426300903  0.083280402140  0.084605496373  0.044844701680
  0.029395000166  0.445950211461  0.380605383683  0.205024607682
  0.001489600008  0.444154311415  0.364017784394  0.184377006908
 -0.000290800002  0.148030803804 -0.232719790023 -0.186387506983
  0.000072700000  0.010445900268 -0.664258971522 -0.578129121661
 -0.000094400001  0.001155300030 -0.324296086097 -0.165023606183
  0.000059200000 -0.000563800014 -0.034051798540  0.650295924365
 -0.000022200000  0.000165100004 -0.000477299980  0.549399920584
  0.000011200000 -0.000087600002  0.000041199998  0.077902702919
 -0.000004700000  0.000037900001  0.000026799999 -0.002822200106
  0.000001100000 -0.000009200000 -0.000005300000  0.000606600023
   18    2
  2.5346524000e2 52.954426000000
      49771.50700000
      11053.50600000
       3578.19830000
       1429.37070000
        649.33676000
        320.59636000
        168.35503000
         91.70563600
         50.84265200
         27.98680600
         15.00260700
          8.00478470
          4.16739970
          2.10922990
          1.02265850
          0.43363914
          0.17416264
        629.67716e-4
  0.000060700000  0.000033600000
  0.000456900003  0.000253500000
  0.002477200017  0.001379099998
  0.010746000072  0.006026999991
  0.037691000253  0.021337699969
  0.104562900702  0.060288399912
  0.218394201466  0.126958699816
  0.331023302222  0.187089899728
  0.321100602155  0.127492999815
  0.160333601076 -0.164826899761
  0.029627500199 -0.467794499321
  0.001072800007 -0.393132299429
  0.000233400002 -0.112356499837
 -0.000072000000 -0.005999699991
  0.000029600000 -0.000290100000
 -0.000008300000  0.000212700000
  0.000003900000 -0.000054600000
 -0.000001000000  0.000018700000
   13    1
 26.702214000000
       1857.71940000
        625.83883000
        264.91641000
        126.38165000
         64.32810700
         34.31785700
         18.70337700
         10.31029500
          5.53908710
          4.39322300
          3.35314890
          1.72515190
          0.83161755
  0.000203100007
  0.001862900060
  0.010813200349
  0.042612401376
  0.118426503824
  0.233825907551
  0.321889810395
  0.309676610000
  0.220981807136
 -0.062964202033
  0.087167402815
  0.009679900313
  0.000222100007
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Th.AE.Paulovic.35s26p18d13f.7s5p4d2f.90e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        326.65313e10
        310.476820e9
48590502000.00000000
10009456000.00000000
 2503116700.00000000
  726985140.00000000
  241498670.00000000
   86685553.00000000
   30891912.00000000
   10736438.00000000
    3721407.30000000
    1313793.10000000
     479917.37000000
     184601.85000000
      75363.79400000
      32757.50900000
      15101.93500000
       7257.33800000
       3578.46290000
       1803.32470000
        924.23283000
        469.58726000
        243.08351000
        126.33571000
         70.38138500
         39.22479900
         21.17095700
         12.26756600
          6.80958440
          3.21136040
          1.63777970
          0.75934977
          0.33378571
        762.31452e-4
        306.34691e-4
  0.000001500000 -0.000000600000  0.000000300000  0.000000200000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000006000000 -0.000002500000  0.000001200000  0.000000600000 -0.000000300000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000017700000 -0.000007400000  0.000003600000  0.000001900000 -0.000000900000  0.000000400000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000044200000 -0.000018300000  0.000008900000  0.000004600000 -0.000002300000  0.000001000000 -0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000097900000 -0.000040400000  0.000019700000  0.000010200000 -0.000005000000  0.000002200000 -0.000000700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000195500000 -0.000080600000  0.000039300000  0.000020300000 -0.000009900000  0.000004300000 -0.000001300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000358100000 -0.000147500000  0.000071900000  0.000037100000 -0.000018100000  0.000007900000 -0.000002400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000672000000 -0.000276600000  0.000134700000  0.000069600000 -0.000033900000  0.000014800000 -0.000004500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001334300000 -0.000549000000  0.000267400000  0.000138100000 -0.000067400000  0.000029300000 -0.000008800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002650800000 -0.001091000000  0.000531400000  0.000274400000 -0.000133800000  0.000058300000 -0.000017600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005143000000 -0.002120000000  0.001032900000  0.000533500000 -0.000260200000  0.000113300000 -0.000034200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.009718900000 -0.004020900000  0.001960400000  0.001012600000 -0.000493900000  0.000215100000 -0.000064900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.017710300000 -0.007377100000  0.003601000000  0.001860800000 -0.000907700000  0.000395300000 -0.000119200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.030909600000 -0.013025200000  0.006371000000  0.003293400000 -0.001606500000  0.000699600000 -0.000211100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.051847900000 -0.022250200000  0.010917300000  0.005649300000 -0.002757100000  0.001201100000 -0.000362100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.083142200000 -0.036696900000  0.018097000000  0.009372300000 -0.004573000000  0.001991500000 -0.000601400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.128126800000 -0.058955700000  0.029286000000  0.015207000000 -0.007431200000  0.003239100000 -0.000975300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.189123400000 -0.092730600000  0.046625700000  0.024253000000 -0.011840500000  0.005154900000 -0.001559900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.250176600000 -0.134463300000  0.068774500000  0.036011900000 -0.017654800000  0.007706300000 -0.002313400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.258850300000 -0.154074000000  0.080544500000  0.042230500000 -0.020614700000  0.008961100000 -0.002730000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.168989800000 -0.069100800000  0.030721300000  0.015633100000 -0.007739400000  0.003425300000 -0.000975700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.045384300000  0.222250600000 -0.178089000000 -0.104863100000  0.053311200000 -0.023544500000  0.006985500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000581400000  0.522114600000 -0.509874000000 -0.314359900000  0.159930000000 -0.070121800000  0.021475800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001151400000  0.351325600000 -0.404567800000 -0.275385800000  0.147923800000 -0.066511100000  0.019436200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000941000000  0.048077300000  0.410830400000  0.413063500000 -0.247363200000  0.114405900000 -0.033265900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000628500000  0.011366300000  0.749847800000  0.986013600000 -0.608433900000  0.277420400000 -0.087295700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000460500000 -0.006146800000  0.270009700000  0.191341000000 -0.123906500000  0.066907300000 -0.015019200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000316700000  0.003919600000  0.001062100000 -0.923356500000  0.965387800000 -0.522322700000  0.153656000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000151700000 -0.001998900000  0.008223500000 -0.596259100000  0.850159700000 -0.476574400000  0.162306600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000066700000  0.000896400000 -0.003139900000 -0.054025900000 -0.889994700000  0.720814500000 -0.259183700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000034600000 -0.000451800000  0.001403800000  0.004594800000 -0.758490500000  0.927704100000 -0.311347900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000013700000  0.000180800000 -0.000572400000 -0.001586300000 -0.040628000000 -0.584140500000  0.226915600000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000004300000 -0.000056800000  0.000186200000  0.000501000000 -0.003435300000 -0.936371400000  0.631085300000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000001000000  0.000013700000 -0.000043800000 -0.000096200000  0.000825000000 -0.066685800000 -0.341236800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000300000 -0.000005600000  0.000016200000  0.000039800000 -0.000335200000  0.015491300000 -0.860856600000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  504035310.00000000
   71937427.00000000
   14707036.00000000
    3647674.20000000
    1040154.60000000
     330068.62000000
     114785.57000000
      43267.53200000
      17529.80100000
       7569.94370000
       3454.58540000
       1653.00480000
        824.69367000
        427.12654000
        227.81286000
        123.57341000
         67.66239600
         37.60196100
         20.69732500
         11.31179700
          6.14899840
          3.18688360
          1.61058580
          0.69768148
          0.32143152
          0.13160677
  0.000005500000 -0.000002900000 -0.000001500000 -0.000000700000  0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000017200000 -0.000009100000 -0.000004700000 -0.000002200000  0.000000900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000047200000 -0.000024800000 -0.000012900000 -0.000006000000  0.000002400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000118900000 -0.000062700000 -0.000032500000 -0.000015300000  0.000006000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000285700000 -0.000150900000 -0.000078200000 -0.000036700000  0.000014400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000672400000 -0.000356000000 -0.000184600000 -0.000086800000  0.000034100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001571500000 -0.000835100000 -0.000433400000 -0.000203700000  0.000080100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003693700000 -0.001972800000 -0.001025300000 -0.000482300000  0.000189500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.008762000000 -0.004715000000 -0.002454400000 -0.001154300000  0.000453900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.020886300000 -0.011360600000 -0.005931700000 -0.002794600000  0.001098300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.049093100000 -0.027170000000 -0.014241400000 -0.006707200000  0.002638700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.108640600000 -0.061740400000 -0.032602300000 -0.015410500000  0.006058500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.208323900000 -0.122959500000 -0.065518300000 -0.030966600000  0.012198200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.310924700000 -0.190758300000 -0.102948500000 -0.049001600000  0.019271300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.307673000000 -0.167464300000 -0.085436900000 -0.039631200000  0.015619700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.159751700000  0.084928600000  0.085706500000  0.045477200000 -0.018528900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.029224100000  0.452559900000  0.386965500000  0.207835900000 -0.083547500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001255700000  0.441838500000  0.358596000000  0.181146700000 -0.073062100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000211100000  0.142664200000 -0.242698800000 -0.193542100000  0.085741300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000028300000  0.010174900000 -0.658848700000 -0.572239900000  0.254461600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000067600000  0.000989500000 -0.321653700000 -0.163867800000  0.060882300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000043600000 -0.000450800000 -0.034067300000  0.653032600000 -0.416681400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000013500000  0.000098200000 -0.000537400000  0.553218100000 -0.370248000000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000007100000 -0.000056500000  0.000038400000  0.073277600000  0.412275900000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000003100000  0.000025100000  0.000019500000 -0.003842100000  0.660326000000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000800000 -0.000006200000  0.000000000000  0.000991200000  0.185222700000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      41973.40900000
      10775.38800000
       3598.15900000
       1448.83250000
        659.62817000
        324.74572000
        169.09981000
         91.28542200
         50.38071200
         27.76110400
         14.91028100
          7.94604160
          4.06530890
          2.02184660
          0.94490733
          0.36076422
          0.13243647
        445.59695e-4
  0.000070300000  0.000038900000  0.000016600000 -0.000003900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000451100000  0.000250300000  0.000107400000 -0.000025500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002422000000  0.001348300000  0.000577300000 -0.000136100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.010433500000  0.005850400000  0.002517100000 -0.000598300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.036701700000  0.020771300000  0.008924400000 -0.002104300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.103550200000  0.059674900000  0.025842000000 -0.006152300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.220839300000  0.128395800000  0.055436700000 -0.013054700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.335734300000  0.189555300000  0.081960900000 -0.019613900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.320259000000  0.125245000000  0.045279800000 -0.009999200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.157087000000 -0.169359000000 -0.105190100000  0.025246400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.029022000000 -0.467835200000 -0.269498000000  0.067872200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000967700000 -0.393924200000 -0.168106600000  0.035810300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000258300000 -0.109175100000  0.298603400000 -0.085722300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000090400000 -0.003888000000  0.566754500000 -0.182379000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000032900000 -0.000613300000  0.296756000000 -0.006962600000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000010000000  0.000293100000  0.031548000000  0.354476800000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000004100000 -0.000097300000 -0.001844700000  0.533116900000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000001200000  0.000031000000  0.000660800000  0.319839000000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       1463.71490000
        549.18563000
        258.30377000
        128.81563000
         65.07874600
         33.61700100
         17.43408900
          8.97038150
          4.46718970
          0.86679767
          2.03208360
          0.33485906
          0.10866347
 -0.000329800000  0.000087600000  0.000000000000  0.000000000000
 -0.002200100000  0.000587300000  0.000000000000  0.000000000000
 -0.010273800000  0.002742300000  0.000000000000  0.000000000000
 -0.040403700000  0.010824300000  0.000000000000  0.000000000000
 -0.120590400000  0.032390100000  0.000000000000  0.000000000000
 -0.253693200000  0.067119800000  0.000000000000  0.000000000000
 -0.359621100000  0.087419700000  0.000000000000  0.000000000000
 -0.326620300000  0.051083600000  0.000000000000  0.000000000000
 -0.156471800000 -0.105692500000  0.000000000000  0.000000000000
  0.000421300000 -0.422976900000  0.000000000000  0.000000000000
 -0.024487900000 -0.321402300000  0.000000000000  0.000000000000
 -0.000310300000 -0.343183800000  1.000000000000  0.000000000000
  0.000075300000 -0.170233500000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Pa.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.23el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
PROTACTINIUM (14s,10p,12d,9f) -> [2s,1p,2d,1f]
********************************************************************************
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on PaQR(6L)
********************************************************************************
    23.0   3
* s-type functions
   14    2
    8560763.61200000
     767883.77670000
      94298.41525000
      15490.22895000
       3224.76189400
        259.85202670
         43.73030404
         10.36074434
      24411.81148e-4
      11869.97259e-4
       5372.28471e-4
       2387.44511e-4
        752.85093e-4
        270.74904e-4
  0.000166363590 -0.000046366987
  0.000672824000 -0.000187525040
  0.002347739200 -0.000654333220
  0.007189611800 -0.002004006900
  0.016815490000 -0.004686682200
 -0.109283950000  0.030510926000
  0.352889920000 -0.099286250000
 -0.780135100000  0.225533890000
  1.162587700000 -0.376608550000
  0.202209290000 -0.046187582000
 -0.978983500000  0.393094950000
 -0.464505440000  0.423981480000
 -0.008369333300 -0.449766880000
 -0.001250416100 -0.807330230000
* p-type functions
   10    1
       9330.28676900
       1737.63123200
        477.43100210
         64.04884263
         12.37935702
      29492.41031e-4
      19058.98247e-4
       5417.44204e-4
       2519.05526e-4
       1057.24452e-4
  0.002046960300
  0.011289058000
  0.032211355000
 -0.126111930000
  0.312728420000
 -0.399034080000
 -0.246348730000
  0.577901230000
  0.503811450000
  0.098645291000
* d-type functions
   12    2
       1003.53371000
        281.74871810
        101.02643000
         18.13994499
      79333.96551e-4
      46890.01049e-4
      21186.52298e-4
       9815.32092e-4
       5034.85936e-4
       2728.12109e-4
          0.09893281
        317.84425e-4
  0.009086245100 -0.001768875800
  0.054531049000 -0.010699446000
  0.127821620000 -0.024766619000
 -0.311276370000  0.064147189000
 -0.271412800000  0.051808290000
  0.348119620000 -0.080955971000
  0.594348840000 -0.154893050000
  0.278859930000 -0.009735551200
  0.029837739000  0.096657428000
  0.010179823000  0.303700950000
 -0.000884005120  0.499589020000
  0.000351170840  0.355733690000
* f-type functions
    9    1
        274.66170870
         92.24455320
         37.24301463
         15.94617330
      31998.25402e-4
      14251.41859e-4
       6081.53944e-4
       2376.38642e-4
        794.28041e-4
 -0.004730377200
 -0.029759975000
 -0.086151456000
 -0.113559110000
  0.227973670000
  0.384782330000
  0.375956110000
  0.256870610000
  0.106692500000
********************************************************************************
* Core AIMP:Pa DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.7816444000e5  1.6495461300e5  5.6044411700e4  2.0648179100e4  7.9844940900e3  3.1238624200e3  1.2789495700e3  5.9563037600e2  2.1905051700e2  1.1269679600e2 23.656931100000
 14.064565300000  5.628574190000  3.370965700000  1.917520500000
  0.035404692483  0.027628382904  0.042260365877  0.061413265885  0.080792809045  0.105820186106  0.183149527409  0.223778299904  0.191748399917  0.567134851355  0.733671749805
  0.304544598921  0.263994275104  0.126454460697  0.008725873719
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  8.3397696000e3  1.5653042400e3  3.9984408000e2  1.0445872600e2 24.032560000000
        326.65313e10
        310.476820e9
48590502000.00000000
10009456000.00000000
 2496617700.00000000
  724716860.00000000
  241498670.00000000
   86685553.00000000
   30891912.00000000
   10737389.00000000
    3721407.30000000
    1313745.00000000
     479917.37000000
     184601.85000000
      75356.43500000
      32757.50900000
      15103.31800000
       7258.20670000
       3578.98710000
       1803.32470000
        924.23847000
        469.58869000
        243.08611000
        126.33580000
         70.38138500
         39.22545800
         21.17096100
         12.26719900
          6.80958440
          3.21161520
          1.63775470
          0.75934918
          0.33378608
        762.31056e-4
        306.33838e-4
  0.000001600000 -0.000000700000  0.000000300000  0.000000200000 -0.000000100000
  0.000006600000 -0.000002800000  0.000001300000  0.000000700000 -0.000000300000
  0.000019199999 -0.000007999999  0.000003900001  0.000002000000 -0.000001000000
  0.000047799998 -0.000019899999  0.000009700001  0.000005000000 -0.000002500000
  0.000105499995 -0.000043899997  0.000021400003  0.000011100001 -0.000005400000
  0.000209299991 -0.000086799994  0.000042400006  0.000021900001 -0.000010800000
  0.000381299984 -0.000157999989  0.000077100011  0.000039900002 -0.000019600000
  0.000715199969 -0.000296099979  0.000144400021  0.000074800004 -0.000036699999
  0.001414399939 -0.000585199959  0.000285400041  0.000147800007 -0.000072599998
  0.002801399879 -0.001159399919  0.000565500081  0.000292800014 -0.000143899996
  0.005416599766 -0.002245099843  0.001095400156  0.000567200027 -0.000278799993
  0.010198699559 -0.004242899704  0.002071500295  0.001072800051 -0.000527199987
  0.018512199199 -0.007754799458  0.003790600540  0.001963800093 -0.000965299976
  0.032182998608 -0.013640999047  0.006681600953  0.003462900164 -0.001701999957
  0.053742897676 -0.023204298379  0.011402301625  0.005915900280 -0.002909499927
  0.085719196293 -0.038079997340  0.018808102681  0.009766200462 -0.004800999880
  0.131311994321 -0.060841895750  0.030274804316  0.015763400746 -0.007764199806
  0.192306191683 -0.094989893365  0.047846606821  0.024954001180 -0.012271099693
  0.251625789118 -0.136164990489  0.069778409947  0.036644201733 -0.018117199547
  0.256074588926 -0.152365489357  0.079651511355  0.041840401979 -0.020543399486
  0.162594292968 -0.058868595888  0.024201403450  0.012084300572 -0.006098699848
  0.041696898197  0.240679583189 -0.194174427681 -0.114916405436  0.059059598523
  0.000381699983  0.524907463336 -0.519598274072 -0.322281715245  0.165061095873
  0.001034799955  0.334201676656 -0.376856453723 -0.258171012213  0.141244696469
 -0.000843399964  0.041137597127  0.455016664865  0.465148022004 -0.283926792901
  0.000556499976  0.010455099270  0.734541004713  0.980874646400 -0.608175384794
 -0.000405199982 -0.005818999594  0.244348534833  0.114032705394 -0.078617698034
  0.000278899988  0.003675999743 -0.000447200064 -0.948875344886  1.050349573739
 -0.000133399994 -0.001864499870  0.007222001030 -0.547656725907  0.756387581088
  0.000058499997  0.000836699942 -0.002796400399 -0.042527802012 -0.982342375439
 -0.000030399999 -0.000420899971  0.001234900176  0.002979800141 -0.679756483004
  0.000011999999  0.000168099988 -0.000500000071 -0.000982600046 -0.029476499263
 -0.000003700000 -0.000052799996  0.000161500023  0.000323300015 -0.003124599922
  0.000000900000  0.000012699999 -0.000037800005 -0.000058300003  0.000707399982
 -0.000000400000 -0.000005100000  0.000015200002  0.000023600001 -0.000296299993
   26    4
  1.3134893000e3  3.2863178000e2 80.745194000000 16.525059000000
  511555430.00000000
   72013448.00000000
   14731866.00000000
    3618831.60000000
    1031651.00000000
     328474.11000000
     114393.35000000
      43203.87600000
      17519.47800000
       7570.36450000
       3458.90580000
       1654.00490000
        825.22297000
        427.01621000
        227.43693000
        123.70313000
         68.18291800
         37.99290500
         20.96306800
         11.38252200
          6.15806680
          3.18379110
          1.62382470
          0.74761205
          0.34721579
          0.14339047
  0.000005800000 -0.000003100000 -0.000001600000 -0.000000800000
  0.000018300000 -0.000009700000 -0.000005000000 -0.000002400000
  0.000050200000 -0.000026500001 -0.000013799999 -0.000006500000
  0.000127400000 -0.000067300003 -0.000034999997 -0.000016600000
  0.000303200000 -0.000160500008 -0.000083399992 -0.000039600000
  0.000711399999 -0.000377500018 -0.000196399981 -0.000093199999
  0.001658499998 -0.000883400043 -0.000460099956 -0.000218199998
  0.003880399994 -0.002077500101 -0.001083299896 -0.000514199996
  0.009190199987 -0.004957900240 -0.002590399752 -0.001229299990
  0.021774699968 -0.011877800576 -0.006222499403 -0.002958199977
  0.050990499926 -0.028303901373 -0.014894498571 -0.007078599944
  0.112313799837 -0.064055703107 -0.033940396744 -0.016189699872
  0.213309399690 -0.126328906127 -0.067610893515 -0.032249199745
  0.314991199543 -0.193691409395 -0.104799089948 -0.050338799601
  0.303482499559 -0.161161807817 -0.081702292163 -0.038069999699
  0.151057799781  0.100404204870  0.097746790624  0.052142799587
  0.026813799961  0.458034922216  0.393558162251  0.213835798307
  0.001056099998  0.432649220985  0.349038766521  0.176651098602
 -0.000140800000  0.135155906555 -0.269527474147 -0.214569798301
 -0.000027400000  0.009550200463 -0.666698536051 -0.594424395294
 -0.000028300000  0.000596100029 -0.298530971365 -0.111567299117
  0.000024300000 -0.000310700015 -0.028219097293  0.688327794551
 -0.000005600000  0.000045500002 -0.000370099965  0.505315096000
  0.000003800000 -0.000033600002  0.000013999999  0.064825499487
 -0.000001500000  0.000014200001  0.000031599997 -0.000566099996
  0.000000400000 -0.000003600000 -0.000008799999  0.000202899998
   18    2
  2.6156256000e2 55.079286000000
      38409.56300000
       9691.39740000
       3420.02900000
       1430.64560000
        658.02200000
        322.26426000
        166.57757000
         89.90229900
         50.46877000
         28.93440100
         16.20140000
          8.94183220
          4.76867370
          2.44510160
          1.19512960
          0.52559086
          0.20145363
        688.88718e-4
  0.000088499996  0.000049199995
  0.000551899977  0.000307999969
  0.002652799887  0.001485099853
  0.010939399535  0.006170499388
  0.038631998360  0.021991997818
  0.110228095319  0.063933793656
  0.232551190125  0.135877586516
  0.337841185654  0.190520781094
  0.299904587265  0.111813288904
  0.148784793682 -0.152049784911
  0.033829698563 -0.428743057454
  0.001227499948 -0.408060259506
  0.000543899977 -0.142264085882
 -0.000220999991 -0.011140598894
  0.000089099996 -0.000394799961
 -0.000033699999  0.000210799979
  0.000011200000 -0.000040399996
 -0.000003600000  0.000020899998
   13    1
 28.171286000000
       3250.81910000
        798.95277000
        304.43716000
        138.04992000
         67.86096800
         35.04505200
         18.38798200
          9.60487800
          4.84143910
          2.22558530
          0.97233758
          0.39388383
          0.13942158
 -0.000086099994
 -0.001338399903
 -0.009318099326
 -0.040728197054
 -0.121333191225
 -0.250724581866
 -0.352277974521
 -0.326268576402
 -0.162862188221
 -0.027009198047
  0.000402699971
 -0.000395499971
  0.000090199993
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Pa.AE.Paulovic.35s26p18d13f.7s5p4d2f.91e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        326.65313e10
        310.476820e9
48590502000.00000000
10009456000.00000000
 2496617700.00000000
  724716860.00000000
  241498670.00000000
   86685553.00000000
   30892530.00000000
   10737389.00000000
    3721407.30000000
    1313740.80000000
     479918.64000000
     184601.85000000
      75356.43500000
      32757.50900000
      15101.04200000
       7255.17100000
       3578.98710000
       1803.32470000
        924.14822000
        469.60947000
        243.08611000
        126.34241000
         70.38138500
         39.22549000
         21.17070300
         12.26726900
          6.81089620
          3.21099920
          1.63775470
          0.75934686
          0.33379423
        762.30059e-4
        305.65802e-4
  0.000001600000 -0.000000700000  0.000000300000  0.000000200000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000006600000 -0.000002800000  0.000001300000  0.000000700000 -0.000000300000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000019200000 -0.000008000000  0.000003900000  0.000002000000 -0.000001000000  0.000000400000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000047800000 -0.000019900000  0.000009700000  0.000005000000 -0.000002500000  0.000001100000 -0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000105500000 -0.000043900000  0.000021400000  0.000011100000 -0.000005400000  0.000002400000 -0.000000700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000209300000 -0.000086800000  0.000042400000  0.000021900000 -0.000010800000  0.000004700000 -0.000001300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000381300000 -0.000158000000  0.000077100000  0.000039900000 -0.000019600000  0.000008500000 -0.000002400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000715200000 -0.000296100000  0.000144400000  0.000074800000 -0.000036700000  0.000015900000 -0.000004400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001414400000 -0.000585200000  0.000285400000  0.000147800000 -0.000072600000  0.000031400000 -0.000008800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002801400000 -0.001159400000  0.000565500000  0.000292800000 -0.000143800000  0.000062200000 -0.000017300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005416600000 -0.002245200000  0.001095400000  0.000567200000 -0.000278500000  0.000120600000 -0.000033600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.010198600000 -0.004242900000  0.002071500000  0.001072700000 -0.000526700000  0.000228000000 -0.000063600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.018512300000 -0.007754900000  0.003790600000  0.001963700000 -0.000964500000  0.000417500000 -0.000116400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.032182600000 -0.013640900000  0.006681500000  0.003462600000 -0.001700500000  0.000736100000 -0.000205300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.053744200000 -0.023205100000  0.011402700000  0.005915600000 -0.002907100000  0.001258500000 -0.000350600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.085717600000 -0.038079100000  0.018807600000  0.009765200000 -0.004796700000  0.002076300000 -0.000579600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.131390100000 -0.060880200000  0.030294000000  0.015772300000 -0.007762700000  0.003362000000 -0.000935200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.192320500000 -0.094999000000  0.047851100000  0.024954500000 -0.012261200000  0.005307100000 -0.001485100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.251478500000 -0.136092500000  0.069741900000  0.036622600000 -0.018094100000  0.007845000000 -0.002174100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.256185000000 -0.152418300000  0.079676900000  0.041850200000 -0.020528700000  0.008878400000 -0.002506300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.162524300000 -0.058840700000  0.024189000000  0.012078100000 -0.006098800000  0.002668600000 -0.000676600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.041728400000  0.240654400000 -0.194160300000 -0.114901200000  0.059023800000 -0.025848500000  0.007066400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000347900000  0.524952300000 -0.519632500000 -0.322274400000  0.164886800000 -0.072007000000  0.020449500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001069900000  0.334133800000 -0.376770600000 -0.258090100000  0.141188300000 -0.062890700000  0.016763400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000876400000  0.041215600000  0.454926800000  0.465064900000 -0.283870100000  0.129785000000 -0.034645400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000583000000  0.010397900000  0.734597800000  0.980655600000 -0.607112700000  0.276807900000 -0.081278100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000425400000 -0.005776000000  0.244300800000  0.114276600000 -0.079548400000  0.043439200000 -0.005691600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000293000000  0.003647300000 -0.000422800000 -0.948563200000  1.050534900000 -0.566299600000  0.152132400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000140400000 -0.001849800000  0.007208000000 -0.548043600000  0.753686100000 -0.423045400000  0.137346600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000061500000  0.000829500000 -0.002783300000 -0.042488300000 -0.978303600000  0.817206600000 -0.274302900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000032000000 -0.000417500000  0.001230800000  0.002973600000 -0.679475800000  0.817517900000 -0.239803000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000012700000  0.000166700000 -0.000500800000 -0.000994900000 -0.031932400000 -0.623537500000  0.206114700000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000003800000 -0.000052400000  0.000160100000  0.000322400000 -0.003001500000 -0.890141100000  0.569468700000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000900000  0.000012600000 -0.000037800000 -0.000060200000  0.000637700000 -0.063441700000 -0.236716100000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000400000 -0.000005000000  0.000015200000  0.000023100000 -0.000259300000  0.014986400000 -0.934866100000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  506835310.00000000
   72578381.00000000
   14746911.00000000
    3642060.50000000
    1037173.80000000
     329579.19000000
     114591.38000000
      43243.77300000
      17521.77800000
       7567.24410000
       3454.75450000
       1652.92540000
        825.25130000
        427.30208000
        227.83027000
        123.92134000
         67.97976500
         37.75403500
         20.72661300
         11.32812200
          6.14993570
          3.22112310
          1.64110220
          0.72409970
          0.32923106
          0.13455275
  0.000005800000 -0.000003100000 -0.000001600000 -0.000000800000  0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000018200000 -0.000009600000 -0.000005000000 -0.000002400000  0.000000900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000050100000 -0.000026500000 -0.000013700000 -0.000006500000  0.000002500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000126400000 -0.000066800000 -0.000034700000 -0.000016400000  0.000006400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000302600000 -0.000160200000 -0.000083300000 -0.000039400000  0.000015200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000710500000 -0.000377000000 -0.000196100000 -0.000092900000  0.000035900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001657800000 -0.000883000000 -0.000459800000 -0.000217800000  0.000084200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003880500000 -0.002077500000 -0.001083300000 -0.000513500000  0.000198500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.009193900000 -0.004960300000 -0.002591200000 -0.001228100000  0.000475000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.021809900000 -0.011895500000 -0.006232400000 -0.002958700000  0.001143800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.051074300000 -0.028356600000 -0.014918600000 -0.007081500000  0.002740400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.112255700000 -0.064009200000 -0.033922900000 -0.016157800000  0.006248500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.213150300000 -0.126278600000 -0.067556300000 -0.032186800000  0.012472000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.314463400000 -0.193243600000 -0.104612300000 -0.050166500000  0.019406500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.303264000000 -0.161612800000 -0.081856500000 -0.038143900000  0.014781700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.151897400000  0.100610600000  0.097534700000  0.052073800000 -0.020841500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.026924200000  0.462191200000  0.398328800000  0.215910800000 -0.085426600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000921900000  0.432256600000  0.344159900000  0.173711700000 -0.068833000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000103400000  0.132134500000 -0.276793500000 -0.220646500000  0.096033700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000042700000  0.008332300000 -0.661436600000 -0.587456800000  0.257992000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000020600000  0.000964500000 -0.296025000000 -0.114959600000  0.034045300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000020200000 -0.000475100000 -0.028065300000  0.674871400000 -0.425705100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000003200000  0.000109500000 -0.000888600000  0.521085100000 -0.335505100000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000002700000 -0.000059000000  0.000152200000  0.068437100000  0.401317300000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000001100000  0.000024700000 -0.000030800000 -0.002491400000  0.655517500000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000300000 -0.000006300000  0.000010400000  0.000818900000  0.196984300000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      49343.63700000
      11055.91900000
       3634.26900000
       1473.29440000
        669.94902000
        326.37150000
        166.54151000
         87.31020900
         46.74943200
         25.02568900
         13.26410200
          7.02917170
          3.65666780
          1.83942780
          0.86717356
          0.32302620
          0.11105883
        348.58517e-4
  0.000065200000  0.000036200000  0.000015700000 -0.000003000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000480200000  0.000268000000  0.000116100000 -0.000022700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002504700000  0.001400800000  0.000605800000 -0.000117700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.010615800000  0.005990200000  0.002602700000 -0.000509000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.037801700000  0.021495200000  0.009330200000 -0.001813400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.109286200000  0.063415900000  0.027732300000 -0.005430000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.240136300000  0.140146000000  0.061152600000 -0.011882000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.362664300000  0.203962900000  0.088699800000 -0.017417900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.313433900000  0.093117400000  0.027721400000 -0.004764400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.124463100000 -0.255357500000 -0.153089400000  0.030510000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.015416100000 -0.500498900000 -0.290684400000  0.060057300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000845900000 -0.317974900000 -0.076998400000  0.009035100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000135700000 -0.064128700000  0.396590400000 -0.093284700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000069000000 -0.002287700000  0.528399800000 -0.139301600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000033000000 -0.000008500000  0.228069500000  0.035041200000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000010200000  0.000043000000  0.020472600000  0.320414200000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000004000000 -0.000007900000 -0.001051000000  0.503216900000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000001200000  0.000002600000  0.000411900000  0.400374300000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       1832.69990000
        651.70132000
        286.55518000
        137.83949000
         69.02999900
         35.40115300
         18.17258900
          9.24260260
          4.54911950
          2.04066490
          0.86408513
          0.33310525
          0.10802462
 -0.000218900000 -0.000059300000  0.000000000000  0.000000000000
 -0.001730900000 -0.000472900000  0.000000000000  0.000000000000
 -0.009524600000 -0.002595300000  0.000000000000  0.000000000000
 -0.038914200000 -0.010668100000  0.000000000000  0.000000000000
 -0.117676300000 -0.032284100000  0.000000000000  0.000000000000
 -0.254684100000 -0.069035000000  0.000000000000  0.000000000000
 -0.367513200000 -0.091091800000  0.000000000000  0.000000000000
 -0.331174200000 -0.051059800000  0.000000000000  0.000000000000
 -0.149999400000  0.121644200000  0.000000000000  0.000000000000
 -0.020592000000  0.340791200000  0.000000000000  0.000000000000
  0.000368500000  0.416531900000  0.000000000000  0.000000000000
 -0.000271500000  0.327386900000  1.000000000000  0.000000000000
  0.000052000000  0.164432400000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/U.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.24el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
URANIUM (14s,10p,12d,9f) -> [2s,1p,2d,1f]
********************************************************************************
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on UQR(5L)
********************************************************************************
    24.0   3
* s-type functions
   14    2
    9847880.91600000
     909933.73400000
     120564.14320000
      18187.34634000
       3508.17693800
        267.51151120
         45.24281206
         10.73908944
      26461.24613e-4
      17483.29362e-4
       5697.49441e-4
       2727.39831e-4
        665.45675e-4
        282.88715e-4
  0.000167798820 -0.000049848403
  0.000628228850 -0.000186633030
  0.002189109000 -0.000650320150
  0.007243198400 -0.002151979900
  0.017710340000 -0.005261281000
 -0.113077960000  0.033654641000
  0.366567360000 -0.110001690000
 -0.815200050000  0.251752650000
  1.052539300000 -0.361274490000
  0.315706460000 -0.112364650000
 -0.934941990000  0.481522020000
 -0.475338730000  0.351885550000
 -0.014469900000 -0.645606750000
  0.003224309800 -0.583438940000
* p-type functions
   10    1
       9603.43174600
       1787.98254100
        491.78022260
         65.92996650
         12.79779084
      31389.90773e-4
      20856.51431e-4
       5702.82983e-4
       2645.90944e-4
       1083.61512e-4
  0.002178964800
  0.011888928000
  0.033781956000
 -0.132696730000
  0.330356280000
 -0.386866720000
 -0.285161550000
  0.619983210000
  0.482114220000
  0.079492221000
* d-type functions
   12    2
       1038.97947500
        290.73600020
        104.13359280
         18.67362484
          8.16642775
      47718.84078e-4
      21830.59982e-4
      10330.53975e-4
          0.49828341
       2370.63853e-4
          0.10494696
        426.45184e-4
  0.009208021200 -0.002521719700
  0.055472458000 -0.015328946000
  0.130559890000 -0.035559324000
 -0.320402740000  0.093308217000
 -0.269376120000  0.073136716000
  0.367048980000 -0.125568640000
  0.589445610000 -0.217021060000
  0.264774420000 -0.008102543300
  0.033205063000  0.271218830000
  0.003073659100  0.426580780000
 -0.000847527470  0.373878140000
  0.000078638119  0.129274800000
* f-type functions
    9    1
        286.65482700
         95.95499622
         38.73751451
         16.60772785
      35179.39751e-4
      16749.43412e-4
       7747.57336e-4
       3350.84854e-4
          0.12790723
 -0.005173357300
 -0.032913391000
 -0.095876965000
 -0.126110020000
  0.227349740000
  0.375150510000
  0.367271730000
  0.238984880000
  0.082857563000
********************************************************************************
* Core AIMP:U DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  6.7356977000e5  1.6303177200e5  5.5171931400e4  2.0274340700e4  7.8544038300e3  3.0909469700e3  1.2812459200e3  6.0208202700e2  2.2128378700e2  1.1571760300e2 24.040684000000
 13.212383600000  5.179067060000  2.756668260000
  0.034761883958  0.027227889342  0.041621204216  0.060000834933  0.077937219443  0.102463213722  0.177566001061  0.210376916346  0.186862897416  0.538392319393  0.754201214870
  0.265255061276  0.298254967836  0.058411709522
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  8.5640148000e3  1.6138550800e3  4.1371210000e2  1.0879542200e2 25.212790000000
        326.65313e10
        310.476820e9
48590502000.00000000
10009456000.00000000
 2496617700.00000000
  724716860.00000000
  241498670.00000000
   86685553.00000000
   30894257.00000000
   10739020.00000000
    3724315.80000000
    1313745.00000000
     479916.48000000
     184600.81000000
      75352.57900000
      32757.50900000
      15104.66900000
       7259.62440000
       3578.98710000
       1803.32470000
        924.24987000
        469.58869000
        243.08611000
        126.33426000
         70.37107600
         39.22545800
         21.17096100
         12.26663700
          6.80875330
          3.21271310
          1.63775470
          0.75935845
          0.33392057
        762.45555e-4
        306.35202e-4
  0.000001800000 -0.000000800000  0.000000400000  0.000000200000 -0.000000100000
  0.000007200000 -0.000003000000  0.000001500000  0.000000800000 -0.000000400000
  0.000020800000 -0.000008800000  0.000004300000  0.000002200000 -0.000001100000
  0.000051500000 -0.000021600000  0.000010600000  0.000005500000 -0.000002700000
  0.000113400000 -0.000047400000  0.000023199999  0.000012000000 -0.000006000000
  0.000223999999 -0.000093500001  0.000045699999  0.000023700001 -0.000011700000
  0.000407099999 -0.000169600002  0.000082899998  0.000043000001 -0.000021299999
  0.000760599998 -0.000316700003  0.000154599995  0.000080300002 -0.000039699998
  0.001500299996 -0.000624200006  0.000304799991  0.000158200005 -0.000078299997
  0.002957999992 -0.001231000011  0.000601199982  0.000312100009 -0.000154399993
  0.005702899985 -0.002377100021  0.001161299966  0.000602800017 -0.000298299987
  0.010706699972 -0.004479400040  0.002189799936  0.001136900032 -0.000562499976
  0.019343699949 -0.008149600072  0.003988899884  0.002071700059 -0.001025299957
  0.033502699911 -0.014284200127  0.007006299796  0.003640300104 -0.001801299924
  0.055681099852 -0.024189100215  0.011903399653  0.006191400176 -0.003065899870
  0.088354099765 -0.039507100351  0.019542699431  0.010173400290 -0.005034799787
  0.134478199642 -0.062742200557  0.031272199089  0.016325100465 -0.008097599658
  0.195448099480 -0.097252100864  0.049071798570  0.025659100731 -0.012699299463
  0.252929399327 -0.137759401224  0.070720397940  0.037239801060 -0.018551699216
  0.252976799327 -0.150260901335  0.078521797712  0.041320301177 -0.020388399138
  0.156291899584 -0.048166300428  0.017266199497  0.008257100235 -0.004284099819
  0.038188199898  0.258977702301 -0.210480393868 -0.125166403564  0.064946197255
  0.000266499999  0.526313904676 -0.528038984616 -0.329531009383  0.169798792825
  0.000883899998  0.316986602816 -0.346680789900 -0.238454806790  0.132869594385
 -0.000714699998  0.034894300310  0.497168985516  0.516868714718 -0.320874586440
  0.000461099999  0.009628800086  0.716336579131  0.970314827630 -0.603837474483
 -0.000332499999 -0.005489800049  0.220309093582  0.035140701001 -0.029477298754
  0.000229099999  0.003435400031 -0.001625699953 -0.967265027543  1.131412952189
 -0.000109200000 -0.001732700015  0.006353899815 -0.499642214227  0.649287072562
  0.000047600000  0.000778200007 -0.002500899927 -0.033044500941 -1.057940855293
 -0.000024800000 -0.000390700003  0.001091999968  0.001686300048 -0.602951374520
  0.000009800000  0.000155700001 -0.000439199987 -0.000517300015 -0.022412099053
 -0.000003000000 -0.000048900000  0.000142299996  0.000186200005 -0.002448799897
  0.000000700000  0.000011700000 -0.000033199999 -0.000028100001  0.000505499979
 -0.000000300000 -0.000004700000  0.000013400000  0.000011500000 -0.000210699991
   26    4
  1.3495941200e3  3.3921860000e2 84.006566000000 17.325153000000
  504215120.00000000
   71035224.00000000
   14357392.00000000
    3546683.70000000
    1012798.10000000
     323735.93000000
     113353.58000000
      43002.22400000
      17519.17700000
       7585.49760000
       3460.44100000
       1654.10250000
        824.44285000
        426.36572000
        227.38444000
        123.91382000
         68.44653200
         38.28682800
         21.20349000
         11.72114100
          6.43601070
          3.42486310
          1.77014630
          0.79569853
          0.36927144
          0.15190133
  0.000006200000 -0.000003300000 -0.000001700000 -0.000000800000
  0.000019800000 -0.000010499999 -0.000005400000 -0.000002600000
  0.000054299999 -0.000028699998 -0.000015000000 -0.000007200000
  0.000136399998 -0.000072199995 -0.000037700000 -0.000018000000
  0.000324899995 -0.000172299988 -0.000089900000 -0.000043000000
  0.000756199988 -0.000402099973 -0.000209900000 -0.000100399999
  0.001752999972 -0.000935899936 -0.000489000001 -0.000233799999
  0.004076899934 -0.002187899851 -0.001144800002 -0.000547699997
  0.009581099845 -0.005182299648 -0.002716600005 -0.001299899992
  0.022704899632 -0.012417699156 -0.006528700012 -0.003128299980
  0.053062799140 -0.029549097992 -0.015602900028 -0.007478199953
  0.116090398118 -0.066422295487 -0.035331500063 -0.016985099892
  0.219002496450 -0.130207291153 -0.069932800124 -0.033651099787
  0.317863094847 -0.195671186704 -0.106261000188 -0.051411399674
  0.298247895165 -0.154503789502 -0.077380400137 -0.036272199770
  0.143706697670  0.116865892059  0.109957200195  0.059284199624
  0.024238799607  0.465309468383  0.404009600716  0.221282098598
  0.000984199984  0.420025771460  0.330233300586  0.167408298940
 -0.000195099997  0.127790591317 -0.281218400499 -0.227233398561
  0.000011700000  0.008277099438 -0.652974901158 -0.588338396273
 -0.000050899999  0.000987099933 -0.298628300530 -0.125661399204
  0.000036099999 -0.000491499967 -0.030662800054  0.659395495823
 -0.000010100000  0.000112699992 -0.000964600002  0.537949196593
  0.000005500000 -0.000061099996  0.000141700000  0.077260599511
 -0.000002200000  0.000025399998 -0.000021000000 -0.003005999981
  0.000000600000 -0.000006400000  0.000004600000  0.000807699995
   18    2
  2.7007950000e2 57.532312000000
      37660.81100000
       9616.73440000
       3410.78840000
       1433.59110000
        658.07391000
        322.17142000
        166.58431000
         89.83058500
         50.47938500
         29.00461600
         16.23755600
          8.95285330
          4.76708240
          2.45011160
          1.19625580
          0.51833885
          0.20134803
        693.24681e-4
  0.000095900003  0.000053599998
  0.000590100019  0.000331099987
  0.002796300091  0.001574199939
  0.011471500372  0.006505199748
  0.040568401316  0.023231599099
  0.114490803714  0.066793397411
  0.239094607757  0.140409494557
  0.341487311078  0.192566092535
  0.293379009518  0.102793796015
  0.141485604590 -0.167272193515
  0.030740100997 -0.439576982959
  0.001002000033 -0.397190984602
  0.000459600015 -0.128575795016
 -0.000195300006 -0.008702399663
  0.000072800002 -0.000450199983
 -0.000028800001  0.000215099992
  0.000009300000 -0.000050999998
 -0.000003200000  0.000021899999
   13    1
 29.960168000000
       2162.64490000
        723.34376000
        307.01713000
        146.99654000
         74.89495200
         39.60656000
         21.05759200
         11.05389400
          5.62869620
          2.68059450
          1.19798140
          0.49108127
          0.17513845
 -0.000169599997
 -0.001553599976
 -0.009000399858
 -0.036356099428
 -0.105695998337
 -0.225991396444
 -0.340516594643
 -0.342528794611
 -0.188389097036
 -0.038400499396
 -0.000453399993
 -0.000370299994
  0.000077499999
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   U.AE.Paulovic.35s26p18d13f.7s5p4d2f.92e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        326.65313e10
        310.476820e9
48590502000.00000000
10009456000.00000000
 2496617700.00000000
  724716860.00000000
  241498670.00000000
   86685553.00000000
   30894257.00000000
   10739020.00000000
    3724315.80000000
    1313745.00000000
     479916.48000000
     184600.81000000
      75352.57900000
      32757.50900000
      15104.66900000
       7259.62440000
       3578.98710000
       1803.32470000
        924.24987000
        469.58869000
        243.08611000
        126.33426000
         70.37107600
         39.22545800
         21.17096100
         12.26663700
          6.80875330
          3.21271310
          1.63775470
          0.75935845
          0.33392057
        762.45555e-4
        306.35202e-4
  0.000001800000 -0.000000800000  0.000000400000  0.000000200000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000007200000 -0.000003000000  0.000001500000  0.000000800000 -0.000000400000  0.000000200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000020800000 -0.000008800000  0.000004300000  0.000002200000 -0.000001100000  0.000000500000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000051500000 -0.000021600000  0.000010600000  0.000005500000 -0.000002700000  0.000001200000 -0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000113400000 -0.000047400000  0.000023200000  0.000012000000 -0.000006000000  0.000002600000 -0.000000800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000224000000 -0.000093500000  0.000045700000  0.000023700000 -0.000011700000  0.000005200000 -0.000001500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000407100000 -0.000169600000  0.000082900000  0.000043000000 -0.000021300000  0.000009400000 -0.000002800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000760600000 -0.000316700000  0.000154600000  0.000080300000 -0.000039700000  0.000017600000 -0.000005200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001500300000 -0.000624200000  0.000304800000  0.000158200000 -0.000078300000  0.000034600000 -0.000010300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002958000000 -0.001231000000  0.000601200000  0.000312100000 -0.000154400000  0.000068300000 -0.000020300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005702900000 -0.002377100000  0.001161300000  0.000602800000 -0.000298300000  0.000131900000 -0.000039200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.010706700000 -0.004479400000  0.002189800000  0.001136900000 -0.000562500000  0.000248700000 -0.000074000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.019343700000 -0.008149600000  0.003988900000  0.002071700000 -0.001025300000  0.000453400000 -0.000134900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.033502700000 -0.014284200000  0.007006300000  0.003640300000 -0.001801300000  0.000796400000 -0.000237000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.055681100000 -0.024189100000  0.011903400000  0.006191400000 -0.003065900000  0.001355900000 -0.000403200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.088354100000 -0.039507100000  0.019542700000  0.010173400000 -0.005034800000  0.002225900000 -0.000662600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.134478200000 -0.062742200000  0.031272200000  0.016325100000 -0.008097600000  0.003583300000 -0.001064900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.195448100000 -0.097252100000  0.049071800000  0.025659200000 -0.012699300000  0.005612800000 -0.001672900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.252929400000 -0.137759500000  0.070720400000  0.037239900000 -0.018551800000  0.008222000000 -0.002439500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.252976800000 -0.150260800000  0.078521800000  0.041320300000 -0.020388400000  0.008993800000 -0.002691600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.156291800000 -0.048166400000  0.017266300000  0.008257100000 -0.004284200000  0.001948700000 -0.000546700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.038188200000  0.258977800000 -0.210480600000 -0.125166800000  0.064946300000 -0.029122200000  0.008607300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000266500000  0.526313500000 -0.528038800000 -0.329531500000  0.169798600000 -0.075645000000  0.022702300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000883900000  0.316986800000 -0.346681300000 -0.238454700000  0.132871000000 -0.060916600000  0.017826400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000714700000  0.034894000000  0.497169600000  0.516869600000 -0.320876900000  0.150823900000 -0.044459300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000461200000  0.009629400000  0.716335100000  0.970316000000 -0.603833900000  0.280435800000 -0.085732100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000332600000 -0.005489900000  0.220309700000  0.035138600000 -0.029482900000  0.023023700000 -0.004230300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000229300000  0.003435600000 -0.001625900000 -0.967264000000  1.131419400000 -0.635283000000  0.191394100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000109300000 -0.001732800000  0.006354600000 -0.499641800000  0.649282400000 -0.364138100000  0.119797500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000047700000  0.000778300000 -0.002500600000 -0.033044800000 -1.057942600000  0.922072100000 -0.317956500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000024800000 -0.000390600000  0.001092500000  0.001687000000 -0.602941200000  0.773035100000 -0.267836000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000009800000  0.000155900000 -0.000439900000 -0.000517300000 -0.022422600000 -0.789218300000  0.338783600000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000003000000 -0.000048900000  0.000141800000  0.000184400000 -0.002446900000 -0.788502100000  0.556314300000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000800000  0.000011700000 -0.000033100000 -0.000026000000  0.000505400000 -0.033585100000 -0.510458700000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000300000 -0.000004700000  0.000014200000  0.000010700000 -0.000205100000  0.007621900000 -0.717579800000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  504215120.00000000
   71035224.00000000
   14357392.00000000
    3546683.70000000
    1012798.10000000
     323735.93000000
     113353.58000000
      43002.22400000
      17519.17700000
       7585.49760000
       3460.44100000
       1654.10250000
        824.44285000
        426.36572000
        227.38444000
        123.91382000
         68.44653200
         38.28682800
         21.20349000
         11.72114100
          6.43601070
          3.42486310
          1.77014630
          0.79569853
          0.36927144
          0.15190133
  0.000006200000 -0.000003300000 -0.000001700000 -0.000000800000  0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000019800000 -0.000010500000 -0.000005400000 -0.000002600000  0.000001000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000054300000 -0.000028700000 -0.000015000000 -0.000007200000  0.000002800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000136400000 -0.000072200000 -0.000037700000 -0.000018000000  0.000007200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000324900000 -0.000172300000 -0.000089900000 -0.000043000000  0.000017100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000756200000 -0.000402100000 -0.000209900000 -0.000100400000  0.000039900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001753000000 -0.000935900000 -0.000489000000 -0.000233800000  0.000092900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004076900000 -0.002187900000 -0.001144800000 -0.000547700000  0.000217700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.009581100000 -0.005182300000 -0.002716600000 -0.001299900000  0.000516800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.022704900000 -0.012417700000 -0.006528700000 -0.003128300000  0.001243300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.053062800000 -0.029549100000 -0.015602900000 -0.007478200000  0.002975000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.116090400000 -0.066422300000 -0.035331500000 -0.016985100000  0.006753600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.219002500000 -0.130207300000 -0.069932800000 -0.033651100000  0.013404500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.317863100000 -0.195671200000 -0.106261000000 -0.051411400000  0.020450500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.298247900000 -0.154503800000 -0.077380400000 -0.036272200000  0.014432300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.143706700000  0.116865900000  0.109957200000  0.059284200000 -0.024363200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.024238800000  0.465309500000  0.404009600000  0.221282100000 -0.090138300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000984200000  0.420025800000  0.330233300000  0.167408300000 -0.068103800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000195100000  0.127790600000 -0.281218400000 -0.227233300000  0.101882800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000011700000  0.008277100000 -0.652974800000 -0.588338400000  0.267111500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000050900000  0.000987100000 -0.298628300000 -0.125661200000  0.039561100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000036100000 -0.000491500000 -0.030662800000  0.659395200000 -0.430705800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000010100000  0.000112700000 -0.000964500000  0.537949200000 -0.364556600000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000005500000 -0.000061100000  0.000141700000  0.077260900000  0.389052800000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000002200000  0.000025400000 -0.000021000000 -0.003006100000  0.669831900000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000600000 -0.000006400000  0.000004600000  0.000807700000  0.203200200000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      37660.81100000
       9616.73440000
       3410.78840000
       1433.59110000
        658.07391000
        322.17142000
        166.58431000
         89.83058500
         50.47938500
         29.00461600
         16.23755600
          8.95285330
          4.76708240
          2.45011160
          1.19625580
          0.51833885
          0.20134803
        693.24681e-4
  0.000095900000  0.000053600000  0.000023500000 -0.000006500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000590100000  0.000331100000  0.000145700000 -0.000040100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002796300000  0.001574200000  0.000692400000 -0.000190400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.011471500000  0.006505200000  0.002870100000 -0.000790400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.040568400000  0.023231600000  0.010258500000 -0.002823200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.114490800000  0.066793400000  0.029665000000 -0.008177700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.239094600000  0.140409500000  0.062324500000 -0.017162000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.341487300000  0.192566100000  0.084975600000 -0.023419300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.293379000000  0.102793800000  0.035297300000 -0.009192200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.141485600000 -0.167272200000 -0.107115300000  0.030851800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.030740100000 -0.439577000000 -0.261401400000  0.075483000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001002000000 -0.397191000000 -0.189854600000  0.050946000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000459600000 -0.128575800000  0.246342000000 -0.089062600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000195300000 -0.008702400000  0.552190700000 -0.201553900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000072800000 -0.000450200000  0.341523600000 -0.064652900000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000028800000  0.000215100000  0.055713600000  0.315348800000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000009300000 -0.000051000000 -0.000950300000  0.554728900000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000003200000  0.000021900000  0.000211800000  0.342461600000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2162.64490000
        723.34376000
        307.01713000
        146.99654000
         74.89495200
         39.60656000
         21.05759200
         11.05389400
          5.62869620
          2.68059450
          1.19798140
          0.49108127
          0.17513845
 -0.000169600000 -0.000051400000  0.000000000000  0.000000000000
 -0.001553600000 -0.000471000000  0.000000000000  0.000000000000
 -0.009000400000 -0.002738900000  0.000000000000  0.000000000000
 -0.036356000000 -0.011079100000  0.000000000000  0.000000000000
 -0.105696000000 -0.032362800000  0.000000000000  0.000000000000
 -0.225991400000 -0.068410600000  0.000000000000  0.000000000000
 -0.340516600000 -0.096142800000  0.000000000000  0.000000000000
 -0.342528800000 -0.071643900000  0.000000000000  0.000000000000
 -0.188389100000  0.079403400000  0.000000000000  0.000000000000
 -0.038400500000  0.308807500000  0.000000000000  0.000000000000
 -0.000453400000  0.429580900000  0.000000000000  0.000000000000
 -0.000370300000  0.344826900000  1.000000000000  0.000000000000
  0.000077500000  0.149459200000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Np.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.25el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
NEPTUNIUM (14s,10p,12d,9f) -> [2s,1p,2d,1f]
********************************************************************************
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on NpQR(6L)
********************************************************************************
    25.0   3
* s-type functions
   14    2
    8704015.57300000
     767847.62000000
      97421.78539000
      16658.25871000
       3532.88464300
        277.47835930
         46.73920548
         11.16074003
      26826.46753e-4
      12773.84706e-4
       5861.38966e-4
          0.26182683
        700.65988e-4
        278.21856e-4
  0.000196201020 -0.000057371107
  0.000779497460 -0.000227937550
  0.002581370500 -0.000754811800
  0.007508352900 -0.002195792800
  0.017411646000 -0.005091282600
 -0.114489840000  0.033540413000
  0.372398480000 -0.110004630000
 -0.827751920000  0.251619090000
  1.241833700000 -0.420141740000
  0.164481270000 -0.059702590000
 -1.038484900000  0.520616710000
 -0.408894650000  0.328820420000
 -0.004503124100 -0.673761720000
 -0.000030959601 -0.571320110000
* p-type functions
   10    1
      10081.12240000
       1861.33616700
        507.83161920
         67.87413480
         13.22040304
          3.40310769
      23241.74165e-4
       5853.46167e-4
          0.26731234
       1066.41586e-4
  0.002186597800
  0.011959899000
  0.034185312000
 -0.134142830000
  0.335207730000
 -0.319373040000
 -0.349692250000
  0.635276580000
  0.471340400000
  0.069910462000
* d-type functions
   12    2
       1057.20850000
        297.04199060
        106.87618360
         19.37890406
      87910.35527e-4
      50415.49768e-4
      24205.13873e-4
      12024.42195e-4
       5766.58964e-4
       2825.86884e-4
       1252.74634e-4
        526.52843e-4
  0.009535041300 -0.002613788800
  0.056486188000 -0.015625854000
  0.132216390000 -0.036044484000
 -0.319302390000  0.093525994000
 -0.259842450000  0.069474269000
  0.324948300000 -0.110770430000
  0.563542920000 -0.212633380000
  0.296848950000 -0.034521742000
  0.053984609000  0.226433780000
  0.001372705400  0.413397720000
  0.000399714020  0.395419380000
 -0.000259066360  0.175463690000
* f-type functions
    9    1
        300.40776350
        100.95886240
         40.82779717
         17.51284924
      36559.53881e-4
      17432.43584e-4
       8242.03262e-4
       3654.00257e-4
       1425.62154e-4
 -0.005220824400
 -0.033344151000
 -0.098844795000
 -0.132652790000
  0.246456240000
  0.380336780000
  0.353724670000
  0.223899500000
  0.073984560000
********************************************************************************
* Core AIMP:Np DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.8303979000e5  1.6710937100e5  5.7065754100e4  2.1144453400e4  8.2362481700e3  3.2512044400e3  1.3443894800e3  6.2967461800e2  2.3293530700e2  1.1998426000e2 25.036943400000
 14.634444200000  5.918603720000  1.960601500000  3.512483930000
  0.033702230046  0.026081635207  0.039627509253  0.056911756991  0.074058967901  0.097444375411  0.168639588151  0.203926812156  0.174706267827  0.523380125730  0.703032093625
  0.257213006877  0.255174878101  0.005155797454  0.100944955268
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  8.7928658000e3  1.6636073200e3  4.2791858000e2  1.1322771800e2 26.406360000000
        328.70111e10
        309.271640e9
48590502000.00000000
 9951957400.00000000
 2475550800.00000000
  722455650.00000000
  241498670.00000000
   86617857.00000000
   30900291.00000000
   10755812.00000000
    3724315.80000000
    1313674.80000000
     479904.76000000
     184555.74000000
      75318.55800000
      32758.74300000
      15113.13700000
       7261.04250000
       3578.27330000
       1803.32470000
        925.20936000
        469.33040000
        242.99117000
        126.21942000
         70.35915800
         39.22617600
         21.23627600
         12.26614700
          6.78654390
          3.22300290
          1.61850170
          0.75946583
          0.33411628
        761.94384e-4
        305.11841e-4
  0.000002000000 -0.000000800000  0.000000400000  0.000000200000 -0.000000100000
  0.000007799999 -0.000003300000  0.000001600000  0.000000800000 -0.000000400000
  0.000022599998 -0.000009600001  0.000004700000  0.000002400000 -0.000001200000
  0.000056099996 -0.000023700003  0.000011600000  0.000006000000 -0.000003000000
  0.000122399990 -0.000051500007  0.000025199999  0.000013100001 -0.000006500000
  0.000239299981 -0.000100400013  0.000049099998  0.000025600002 -0.000012700000
  0.000434399966 -0.000182100024  0.000088999996  0.000046300003 -0.000023100000
  0.000810399936 -0.000339300045  0.000165899993  0.000086300006 -0.000043000000
  0.001587199875 -0.000664200088  0.000324799987  0.000169000011 -0.000084100000
  0.003125399755 -0.001308100173  0.000639699975  0.000332800022 -0.000165700000
  0.006011699528 -0.002520000334  0.001232699951  0.000641400043 -0.000319400000
  0.011229199118 -0.004724900626  0.002312799908  0.001203600080 -0.000599300000
  0.020218098413 -0.008567301135  0.004198799833  0.002186000146 -0.001088700001
  0.034877497262 -0.014959201981  0.007347299708  0.003826800256 -0.001905600001
  0.057686595471 -0.025215503339  0.012425899506  0.006478900433 -0.003228800002
  0.090941692860 -0.040933005421  0.020278399195  0.010582600707 -0.005270400003
  0.137638789194 -0.064656308563  0.032277598718  0.016891901129 -0.008432900005
  0.198641584405 -0.099573513187  0.050330498001  0.026384401764 -0.013139800008
  0.254056680055 -0.139191518433  0.071568297157  0.037782202525 -0.018948300012
  0.249432580418 -0.147769919570  0.077167596935  0.040677202719 -0.020176900013
  0.150016688223 -0.036837504878  0.009816199610  0.004095700274 -0.002229500001
  0.035188797237  0.277186636708 -0.227156390978 -0.135722409072  0.070954400045
 -0.000025099998  0.526469769722 -0.535182878744 -0.336087122464  0.174383300111
  0.000909699929  0.299674139687 -0.314239187519 -0.216356714461  0.122392900078
 -0.000740099942  0.028877603824  0.537772378641  0.568440337994 -0.357271600228
  0.000483299962  0.009108801206  0.694550472414  0.953851663755 -0.597341000382
 -0.000345699973 -0.005283600700  0.197833792142 -0.043347502897  0.026559900017
  0.000235799981  0.003243000429 -0.001510199940 -0.981795365623  1.203493000769
 -0.000113099991 -0.001629300216  0.005279799790 -0.451489730177  0.540219500345
  0.000049299996  0.000730900097 -0.002125999916 -0.024051801608 -1.129907900722
 -0.000025399998 -0.000364000048  0.000905899964  0.000125000008 -0.529210800338
  0.000010399999  0.000149300020 -0.000373599985  0.000027100002 -0.011808800008
 -0.000003200000 -0.000046500006  0.000120499995  0.000024800002 -0.003062500002
  0.000000800000  0.000011100001 -0.000027799999  0.000008100001  0.000594400000
 -0.000000300000 -0.000004400001  0.000011200000 -0.000003100000 -0.000241200000
   26    4
  1.3862779200e3  3.4998422000e2 87.312924000000 18.123989000000
  504340890.00000000
   71015026.00000000
   14335463.00000000
    3539746.40000000
    1010819.60000000
     323284.15000000
     113257.89000000
      42991.89000000
      17520.48300000
       7586.65450000
       3460.61880000
       1654.02200000
        824.30639000
        426.36146000
        227.35434000
        123.76895000
         68.50478600
         38.30441400
         21.15480100
         11.73153800
          6.44300420
          3.44469680
          1.78524880
          0.80135881
          0.37018595
          0.15187785
  0.000006600001 -0.000003500000 -0.000001800000 -0.000000900000
  0.000021000002 -0.000011100001 -0.000005800000 -0.000002800000
  0.000057700005 -0.000030600002 -0.000016000000 -0.000007700000
  0.000144600013 -0.000076700006 -0.000040099999 -0.000019300001
  0.000343800030 -0.000182700014 -0.000095599999 -0.000046100002
  0.000798300071 -0.000425400034 -0.000222799997 -0.000107300005
  0.001845800163 -0.000987600078 -0.000517799993 -0.000249400011
  0.004280700378 -0.002302800181 -0.001208799984 -0.000582700026
  0.010031400887 -0.005439400429 -0.002860899963 -0.001379200062
  0.023694502094 -0.012994901024 -0.006855299912 -0.003309000150
  0.055141904874 -0.030799802426 -0.016320099789 -0.007881800357
  0.119899710598 -0.068837105423 -0.036747999526 -0.017796700806
  0.224102719809 -0.133695010533 -0.072071699070 -0.034952801582
  0.320395328320 -0.197497415559 -0.107575598612 -0.052413902373
  0.293960225983 -0.147608811629 -0.072895599059 -0.034267301551
  0.136426012059  0.134610410605  0.123791798402  0.067278603046
  0.021368301889  0.474379637372  0.415317694640  0.229386910385
  0.001024700091  0.408001332143  0.310477495993  0.156426407082
 -0.000318500028  0.116909709210 -0.316504495915 -0.257041211637
  0.000090600008  0.006439000507 -0.649569291617 -0.597584727054
 -0.000091800008  0.001030900081 -0.274976496451 -0.074740303384
  0.000058500005 -0.000537700042 -0.025390999672  0.684211930976
 -0.000020400002  0.000132900010 -0.001061099986  0.505178822871
  0.000009400001 -0.000066000005  0.000204899997  0.066814203025
 -0.000003800000  0.000027200002 -0.000047799999 -0.002579200117
  0.000001000000 -0.000006800001  0.000010500000  0.000670300030
   18    2
  2.7871294000e2 60.008976000000
      34958.74700000
       9426.94140000
       3427.04950000
       1435.09930000
        657.85675000
        322.21595000
        166.44430000
         89.72105100
         50.48127500
         29.09664400
         16.28743700
          8.97942270
          4.77237150
          2.45230650
          1.19631550
          0.51692597
          0.20259593
        704.03108e-4
  0.000110500000  0.000062100001
  0.000620299999  0.000349700005
  0.002917799996  0.001651600024
  0.012115299985  0.006905000100
  0.042438599946  0.024447400355
  0.118961699850  0.069780101015
  0.245998999689  0.145203002111
  0.344366899565  0.193893602819
  0.286559999638  0.093524001360
  0.134171799831 -0.182296502651
  0.028161399964 -0.448715306525
  0.000711699999 -0.385684205608
  0.000443599999 -0.116547201695
 -0.000202100000 -0.006692400097
  0.000072300000 -0.000518500008
 -0.000030000000  0.000226400003
  0.000009500000 -0.000063300001
 -0.000003400000  0.000023000000
   13    1
 31.766720000000
       2157.78170000
        724.22846000
        306.90467000
        146.96749000
         74.90241900
         39.63420500
         21.08559700
         11.08332500
          5.63946290
          2.67059220
          1.20817200
          0.50721115
          0.18654913
 -0.000183300016
 -0.001671500148
 -0.009668700857
 -0.038638403425
 -0.111193109855
 -0.233784920721
 -0.345237630599
 -0.337525229915
 -0.176335215629
 -0.032365502869
 -0.000123000011
 -0.000371900033
  0.000075600007
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Np.AE.Paulovic.35s26p18d13f.7s5p4d2f.93e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        328.70111e10
        309.271640e9
48590502000.00000000
 9951957400.00000000
 2475550800.00000000
  722455650.00000000
  241498670.00000000
   86617857.00000000
   30900291.00000000
   10755812.00000000
    3724315.80000000
    1313674.80000000
     479904.76000000
     184555.74000000
      75318.55800000
      32758.74300000
      15113.13700000
       7261.04250000
       3578.27330000
       1803.32470000
        925.20936000
        469.33040000
        242.99117000
        126.21942000
         70.35915800
         39.22617600
         21.23627600
         12.26614700
          6.78654390
          3.22300290
          1.61850170
          0.75946583
          0.33411628
        761.94384e-4
        305.11841e-4
  0.000002000000 -0.000000800000  0.000000400000  0.000000200000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000007800000 -0.000003300000  0.000001600000  0.000000800000 -0.000000400000  0.000000200000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000022600000 -0.000009600000  0.000004700000  0.000002400000 -0.000001200000  0.000000500000 -0.000000200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000056100000 -0.000023700000  0.000011600000  0.000006000000 -0.000003000000  0.000001300000 -0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000122400000 -0.000051500000  0.000025200000  0.000013100000 -0.000006500000  0.000002900000 -0.000000800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000239300000 -0.000100400000  0.000049100000  0.000025600000 -0.000012700000  0.000005600000 -0.000001700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000434400000 -0.000182100000  0.000089000000  0.000046300000 -0.000023100000  0.000010200000 -0.000003000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000810400000 -0.000339300000  0.000165900000  0.000086300000 -0.000043000000  0.000019100000 -0.000005600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001587200000 -0.000664200000  0.000324800000  0.000169000000 -0.000084100000  0.000037300000 -0.000010900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003125400000 -0.001308100000  0.000639700000  0.000332800000 -0.000165700000  0.000073500000 -0.000021500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006011700000 -0.002520000000  0.001232700000  0.000641400000 -0.000319400000  0.000141700000 -0.000041500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.011229200000 -0.004724900000  0.002312800000  0.001203600000 -0.000599300000  0.000265800000 -0.000077800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.020218100000 -0.008567300000  0.004198900000  0.002186000000 -0.001088700000  0.000482900000 -0.000141300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.034877500000 -0.014959200000  0.007347300000  0.003826700000 -0.001905600000  0.000845100000 -0.000247400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.057686600000 -0.025215500000  0.012425900000  0.006478900000 -0.003228800000  0.001432200000 -0.000419100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.090941700000 -0.040933000000  0.020278400000  0.010582500000 -0.005270500000  0.002337500000 -0.000684600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.137638800000 -0.064656200000  0.032277600000  0.016891800000 -0.008432900000  0.003742500000 -0.001094500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.198641600000 -0.099573500000  0.050330600000  0.026384300000 -0.013139900000  0.005827200000 -0.001708500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.254056700000 -0.139191500000  0.071568400000  0.037782100000 -0.018948500000  0.008419600000 -0.002459100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.249432700000 -0.147769800000  0.077167600000  0.040677000000 -0.020177000000  0.008936500000 -0.002629200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.150016700000 -0.036837600000  0.009816300000  0.004095700000 -0.002229600000  0.001017600000 -0.000270600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.035188800000  0.277186700000 -0.227156900000 -0.135721900000  0.070955200000 -0.031862900000  0.009285700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000025100000  0.526469700000 -0.535183400000 -0.336085700000  0.174384000000 -0.078084500000  0.023025800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000909700000  0.299674600000 -0.314239700000 -0.216355500000  0.122394600000 -0.056122700000  0.016205000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000740100000  0.028877000000  0.537775000000  0.568438400000 -0.357276900000  0.167924700000 -0.048961700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000483400000  0.009109100000  0.694551200000  0.953849300000 -0.597339400000  0.279964800000 -0.083938300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000345900000 -0.005283900000  0.197833900000 -0.043348600000  0.026555900000 -0.006935100000  0.004156700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000236000000  0.003243100000 -0.001512000000 -0.981792500000  1.203506100000 -0.681127400000  0.203602500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000113200000 -0.001629400000  0.005279100000 -0.451490300000  0.540211300000 -0.300726000000  0.096921500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000049300000  0.000730900000 -0.002127000000 -0.024053500000 -1.129911300000  1.018651800000 -0.343969000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000025500000 -0.000364000000  0.000906000000  0.000124800000 -0.529206300000  0.672567900000 -0.231447500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000010400000  0.000149300000 -0.000373800000  0.000027900000 -0.011814000000 -0.860349800000  0.371710100000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000003200000 -0.000046500000  0.000121000000  0.000024100000 -0.003053800000 -0.722607400000  0.513883200000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000800000  0.000011100000 -0.000028100000  0.000008500000  0.000590800000 -0.026272300000 -0.545612900000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000300000 -0.000004500000  0.000011000000 -0.000000800000 -0.000240500000  0.005773900000 -0.682373500000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  504340890.00000000
   71015026.00000000
   14335463.00000000
    3539746.40000000
    1010819.60000000
     323284.15000000
     113257.89000000
      42991.89000000
      17520.48300000
       7586.65450000
       3460.61880000
       1654.02200000
        824.30639000
        426.36146000
        227.35434000
        123.76895000
         68.50478600
         38.30441400
         21.15480100
         11.73153800
          6.44300420
          3.44469680
          1.78524880
          0.80135881
          0.37018595
          0.15187785
  0.000006600000 -0.000003500000 -0.000001800000 -0.000000900000  0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000021000000 -0.000011100000 -0.000005800000 -0.000002800000  0.000001100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000057700000 -0.000030600000 -0.000016000000 -0.000007700000  0.000003100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000144600000 -0.000076700000 -0.000040100000 -0.000019300000  0.000007700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000343800000 -0.000182700000 -0.000095600000 -0.000046100000  0.000018300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000798300000 -0.000425400000 -0.000222800000 -0.000107300000  0.000042600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001845800000 -0.000987600000 -0.000517800000 -0.000249400000  0.000099100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004280700000 -0.002302800000 -0.001208800000 -0.000582700000  0.000231500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.010031400000 -0.005439400000 -0.002860900000 -0.001379200000  0.000548400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.023694500000 -0.012994900000 -0.006855300000 -0.003309000000  0.001315000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.055141900000 -0.030799800000 -0.016320100000 -0.007881800000  0.003136200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.119899700000 -0.068837100000 -0.036748000000 -0.017796700000  0.007075000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.224102700000 -0.133695000000 -0.072071700000 -0.034952800000  0.013928800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.320395300000 -0.197497400000 -0.107575600000 -0.052413900000  0.020836900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.293960200000 -0.147608800000 -0.072895600000 -0.034267300000  0.013653800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.136426000000  0.134610400000  0.123791800000  0.067278600000 -0.027705900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.021368300000  0.474379600000  0.415317700000  0.229386900000 -0.093356200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001024700000  0.408001300000  0.310477500000  0.156426400000 -0.063791600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000318500000  0.116909700000 -0.316504400000 -0.257041100000  0.115917200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000090600000  0.006439000000 -0.649569300000 -0.597584700000  0.271476900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000091800000  0.001030900000 -0.274976600000 -0.074740300000  0.012978500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000058500000 -0.000537700000 -0.025391000000  0.684211800000 -0.453806900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000020400000  0.000132900000 -0.001061100000  0.505178900000 -0.329937100000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000009400000 -0.000066000000  0.000204900000  0.066814200000  0.425557400000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000003800000  0.000027200000 -0.000047800000 -0.002579200000  0.651857600000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000001000000 -0.000006800000  0.000010500000  0.000670300000  0.184669500000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      34958.74700000
       9426.94140000
       3427.04950000
       1435.09930000
        657.85675000
        322.21595000
        166.44430000
         89.72105100
         50.48127500
         29.09664400
         16.28743700
          8.97942270
          4.77237150
          2.45230650
          1.19631550
          0.51692597
          0.20259593
        704.03108e-4
  0.000110500000  0.000062100000  0.000027600000 -0.000007600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000620300000  0.000349700000  0.000155600000 -0.000042900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002917800000  0.001651600000  0.000734500000 -0.000202100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.012115300000  0.006905000000  0.003079800000 -0.000849000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.042438600000  0.024447400000  0.010915500000 -0.003005500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.118961700000  0.069780100000  0.031336100000 -0.008648100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.245999000000  0.145203000000  0.065160400000 -0.017948100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.344366900000  0.193893600000  0.086345600000 -0.023831500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.286560000000  0.093524000000  0.030377700000 -0.007724000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.134171800000 -0.182296500000 -0.116685800000  0.033538100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.028161400000 -0.448715300000 -0.271393400000  0.078702100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000711700000 -0.385684200000 -0.175627200000  0.045966600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000443600000 -0.116547300000  0.280469100000 -0.100627200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000202100000 -0.006692400000  0.554481600000 -0.204435400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000072300000 -0.000518500000  0.315039200000 -0.041422800000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000030000000  0.000226400000  0.046818900000  0.333421700000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000009500000 -0.000063300000 -0.000799000000  0.543845700000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000003400000  0.000023000000  0.000189500000  0.328797800000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2157.78170000
        724.22846000
        306.90467000
        146.96749000
         74.90241900
         39.63420500
         21.08559700
         11.08332500
          5.63946290
          2.67059220
          1.20817200
          0.50721115
          0.18654913
 -0.000183300000 -0.000057900000  0.000000000000  0.000000000000
 -0.001671500000 -0.000531600000  0.000000000000  0.000000000000
 -0.009668700000 -0.003073200000  0.000000000000  0.000000000000
 -0.038638400000 -0.012343300000  0.000000000000  0.000000000000
 -0.111193100000 -0.035577900000  0.000000000000  0.000000000000
 -0.233784900000 -0.074048800000  0.000000000000  0.000000000000
 -0.345237600000 -0.100897600000  0.000000000000  0.000000000000
 -0.337525200000 -0.070016300000  0.000000000000  0.000000000000
 -0.176335200000  0.101441100000  0.000000000000  0.000000000000
 -0.032365500000  0.334860000000  0.000000000000  0.000000000000
 -0.000123000000  0.423622900000  0.000000000000  0.000000000000
 -0.000371900000  0.317029700000  1.000000000000  0.000000000000
  0.000075600000  0.126807000000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Pu.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.26el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
PLUTONIUM (14s,10p,12d,9f) -> [2s,1p,2d,1f]
********************************************************************************
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on PuQR(7K)
********************************************************************************
    26.0   3
* s-type functions
   14    2
    9670557.61800000
     893346.01790000
     120475.40200000
      18951.60181000
       3748.55363900
        287.15116420
         48.15167688
         11.59383921
          2.86439135
      15458.57961e-4
       6331.09206e-4
       2983.42674e-4
          0.06921604
        273.96792e-4
  0.000196567820 -0.000057512446
  0.000725582280 -0.000212297750
  0.002415871100 -0.000706838060
  0.007596248700 -0.002222796000
  0.017908946000 -0.005239821100
 -0.115743450000  0.033929312000
  0.379806560000 -0.112287120000
 -0.845596560000  0.257344150000
  1.191521900000 -0.402725450000
  0.226418200000 -0.081990567000
 -0.964479230000  0.480128870000
 -0.474532760000  0.357056390000
 -0.015313962000 -0.729521500000
  0.003693456600 -0.502786290000
* p-type functions
   10    1
      10145.28157000
       1874.35577600
        515.15386240
         70.03156045
         13.65417139
      35160.74902e-4
          2.36671588
       6162.94807e-4
          0.28341403
       1145.62092e-4
  0.002310206900
  0.012491441000
  0.034634037000
 -0.136828870000
  0.342017470000
 -0.350520020000
 -0.327226090000
  0.624809290000
  0.477457900000
  0.076371541000
* d-type functions
   12    2
       1080.13051300
        303.64474960
        109.49624880
         20.16940224
      96806.18926e-4
      48320.95862e-4
      23861.85814e-4
      11440.39858e-4
       5259.61334e-4
       2339.01526e-4
       1000.87741e-4
        397.00153e-4
  0.009781159300 -0.002320776500
  0.057593855000 -0.013787103000
  0.133800790000 -0.031571295000
 -0.314737530000  0.079961380000
 -0.233034280000  0.053325637000
  0.331153500000 -0.101844940000
  0.570585740000 -0.178781690000
  0.267983140000 -0.012464261000
  0.033769271000  0.250006450000
  0.001821398300  0.410612960000
 -0.000166947990  0.389415760000
  0.000104003440  0.178649870000
* f-type functions
    9    1
        310.33596850
        104.15629710
         42.14153533
         18.17921498
      38910.11061e-4
          1.86991847
          0.88716793
       3983.59167e-4
       1586.37483e-4
 -0.005442747200
 -0.034917449000
 -0.103302370000
 -0.137233640000
  0.250286690000
  0.388565250000
  0.352136550000
  0.210004690000
  0.063634976000
********************************************************************************
* Core AIMP:Pu DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  6.8932388000e5  1.6945221400e5  5.8017604500e4  2.1594912400e4  8.4475957900e3  3.3406561500e3  1.3821789900e3  6.4668757000e2  2.3857249800e2  1.2345555000e2 25.563575900000
 13.986449900000  5.582566900000  2.960835800000
  0.032844809899  0.025302670324  0.038290913777  0.054602695866  0.070967293010  0.093788832141  0.162667314637  0.195864617093  0.169171854059  0.501970729050  0.709345709747
  0.233165381583  0.275976024905  0.051425769294
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  9.0261148000e3  1.7142452600e3  4.4209336000e2  1.1737771400e2 27.236622000000
        328.83756e10
        309.120950e9
48248284000.00000000
 9936340600.00000000
 2475550800.00000000
  721082640.00000000
  241118400.00000000
   86617857.00000000
   30900291.00000000
   10755812.00000000
    3727408.60000000
    1313692.60000000
     479941.38000000
     184552.58000000
      75297.12600000
      32745.83900000
      15113.13700000
       7261.04250000
       3576.77640000
       1802.95300000
        923.85183000
        472.46213000
        242.44783000
        123.82681000
         70.39936200
         39.23895600
         21.29013300
         12.03094000
          6.72099430
          3.31552660
          1.55917020
          0.76020952
          0.32170560
        779.39585e-4
        301.39489e-4
  0.000002200000 -0.000000900000  0.000000500000  0.000000200000 -0.000000100000
  0.000008600000 -0.000003700000  0.000001800000  0.000000900000 -0.000000500000
  0.000024699999 -0.000010500000  0.000005100000  0.000002700000 -0.000001300000
  0.000060499998 -0.000025700000  0.000012600000  0.000006599999 -0.000003300000
  0.000131899996 -0.000055800000  0.000027299999  0.000014299999 -0.000007100000
  0.000256999993 -0.000108499999  0.000053099998  0.000027699998 -0.000013900000
  0.000463599987 -0.000195499998  0.000095699997  0.000049899996 -0.000024999999
  0.000861599975 -0.000362799997  0.000177699995  0.000092599992 -0.000046399999
  0.001684799952 -0.000709099994  0.000347199990  0.000180999984 -0.000090599998
  0.003300199906 -0.001389199989  0.000680199981  0.000354699968 -0.000177499995
  0.006328899819 -0.002668199979  0.001306799963  0.000681599939 -0.000341099991
  0.011786299663 -0.004987799961  0.002444599930  0.001275099885 -0.000638199983
  0.021117399396 -0.009001199930  0.004417299874  0.002304899793 -0.001153899969
  0.036297198963 -0.015660699878  0.007701699780  0.004020599639 -0.002012899945
  0.059754598292 -0.026286599796  0.012972599629  0.006779099391 -0.003395299908
  0.093674397323 -0.042431799671  0.021048699398  0.011011499011 -0.005515399850
  0.140759295977 -0.066612399483  0.033314699046  0.017472098430 -0.008761499762
  0.201788294233 -0.101799899210  0.051519998525  0.027082597566 -0.013577799631
  0.254872492715 -0.140665598908  0.072490897925  0.038336196555 -0.019281599475
  0.246090992966 -0.144434998879  0.075160897849  0.039726796430 -0.019909199458
  0.143656195894 -0.026831399792  0.003384999903  0.000331099970 -0.000069599998
  0.031601099097  0.293520897721 -0.242547193058 -0.145158886956  0.075721297940
  0.000611699983  0.535058495846 -0.549775384264 -0.348292768703  0.183359295011
  0.000279499992  0.281319597816 -0.279236192008 -0.189936682932  0.105582197127
 -0.000220899994  0.015822299877  0.583158383309  0.619135244365 -0.385171489520
  0.000093599997  0.011783999909  0.668225380874  0.940789215461 -0.608286683450
 -0.000056199998 -0.006713699948  0.178963494878 -0.148937586617  0.140911996166
  0.000040399999  0.004079099968 -0.002745299921 -0.993084410762  1.236347466362
 -0.000018299999 -0.002131699983  0.005133999853 -0.376013466212  0.441945087976
  0.000006900000  0.000916299993 -0.002109999940 -0.022909797941 -1.193057067540
 -0.000003500000 -0.000423899997  0.000839399976  0.001390299875 -0.498566586435
  0.000001600000  0.000187999999 -0.000375699989 -0.000699299937  0.019268099476
 -0.000000400000 -0.000055700000  0.000115499997  0.000251699977 -0.009605199739
  0.000000100000  0.000014200000 -0.000028599999 -0.000054999995  0.002233899939
  0.000000000000 -0.000005400000  0.000010900000  0.000021199998 -0.000849799977
   26    4
  1.4231924800e3  3.6055054000e2 90.285142000000 18.557242000000
  504149370.00000000
   70978257.00000000
   14299984.00000000
    3533643.20000000
    1009014.30000000
     322840.24000000
     113159.35000000
      42985.91800000
      17521.74600000
       7587.47390000
       3461.03100000
       1653.76830000
        824.24618000
        426.32439000
        227.32951000
        123.69534000
         68.54937700
         38.32145000
         21.12626300
         11.74196000
          6.42722900
          3.45839140
          1.79292880
          0.80870908
          0.36949302
          0.15216548
  0.000007000000 -0.000003700000 -0.000002000000 -0.000000900000
  0.000022399999 -0.000011900000 -0.000006200000 -0.000003000000
  0.000061299997 -0.000032499999 -0.000017100000 -0.000008299999
  0.000153199992 -0.000081399997 -0.000042700000 -0.000020699999
  0.000363799982 -0.000193699993 -0.000101699999 -0.000049199997
  0.000842499957 -0.000449899984 -0.000236399998 -0.000114499992
  0.001942899902 -0.001041899963 -0.000547899994 -0.000265399982
  0.004491999773 -0.002422099915 -0.001275399987 -0.000617999958
  0.010501799469 -0.005708799799 -0.003012199968 -0.001460199902
  0.024709898751 -0.013588599521 -0.007191699924 -0.003489799765
  0.057283297104 -0.032093698870 -0.017062899820 -0.008287099443
  0.123763793743 -0.071291997490 -0.038189199597 -0.018592498750
  0.229121488416 -0.137160195170 -0.074203899217 -0.036199097565
  0.322787583681 -0.199120792988 -0.108746698853 -0.053237096420
  0.289178185380 -0.140185595064 -0.068030399283 -0.031991297848
  0.129379793459  0.152471094631  0.137954398545  0.075500994922
  0.018825399048  0.482542483008  0.425757495510  0.236485684095
  0.001038999947  0.395026386090  0.288865296954  0.144007490315
 -0.000414399979  0.106807996239 -0.350158796307 -0.286718280717
  0.000154999992  0.004970099825 -0.645430993193 -0.602782359460
 -0.000125499994  0.001038099963 -0.251904397343 -0.020274998636
  0.000077299996 -0.000567699980 -0.019772299791  0.702525852751
 -0.000029099999  0.000147899995 -0.001473599984  0.470951868326
  0.000012699999 -0.000070499998  0.000351099996  0.059402496005
 -0.000005100000  0.000028099999 -0.000111699999 -0.001627899891
  0.000001300000 -0.000007300000  0.000025400000  0.000539399964
   18    2
  2.8708550000e2 62.130310000000
      41478.17100000
      10322.58100000
       3542.56770000
       1441.81160000
        654.42805000
        320.47169000
        166.15699000
         89.66582300
         49.94482500
         28.27850100
         15.96997700
          9.14499810
          5.26470890
          3.01223540
          2.09370380
          1.49603560
          0.80532791
          0.36206364
  0.000094699993 -0.000053499995
  0.000602199958 -0.000341099969
  0.003037099790 -0.001727099844
  0.012901199108 -0.007392499333
  0.045010996888 -0.026064997646
  0.123932491431 -0.073138493396
  0.251188782633 -0.148804086564
  0.348870475879 -0.196497182258
  0.286693180178 -0.080895992696
  0.122136291556  0.215831380512
  0.021870498488  0.443605159945
  0.000804199944  0.345223668828
  0.000404599972  0.116495689481
 -0.000390799973  0.015114798635
  0.000344899976 -0.000100499991
 -0.000169999988  0.000583199947
  0.000023499998 -0.000069199994
 -0.000005200000  0.000002300000
   13    1
 33.214736000000
       2127.88590000
        721.85999000
        307.20342000
        147.07671000
         74.94126300
         39.65851700
         21.13697500
         11.16474500
          5.69856000
          2.67988560
          1.19375830
          0.48925043
          0.17438974
 -0.000202800014
 -0.001796400126
 -0.010325800723
 -0.040983602871
 -0.116844508186
 -0.241483616917
 -0.348026824381
 -0.330618723162
 -0.166214811644
 -0.028147901972
  0.000053300004
 -0.000340000024
  0.000067800005
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Pu.AE.Paulovic.35s26p18d13f.7s5p4d2f.94e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        327.81155e10
        309.120950e9
48778233000.00000000
10068205000.00000000
 2495891700.00000000
  723339550.00000000
  241118400.00000000
   86617857.00000000
   30900291.00000000
   10755812.00000000
    3727408.60000000
    1313628.50000000
     479917.95000000
     184589.51000000
      75320.45000000
      32755.37600000
      15113.13700000
       7261.04250000
       3576.77640000
       1803.80000000
        927.41176000
        471.70277000
        242.84770000
        123.90451000
         71.15447000
         39.27105200
         21.18655100
         12.04357700
          6.72192760
          3.21430390
          1.55916820
          0.76000372
          0.32171461
        777.96063e-4
        298.73307e-4
  0.000002200000 -0.000000900000  0.000000500000  0.000000200000 -0.000000100000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000008600000 -0.000003700000  0.000001800000  0.000000900000 -0.000000500000  0.000000200000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000024400000 -0.000010400000  0.000005100000  0.000002700000 -0.000001300000  0.000000600000 -0.000000200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000060100000 -0.000025500000  0.000012500000  0.000006500000 -0.000003300000  0.000001500000 -0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000131700000 -0.000055700000  0.000027300000  0.000014200000 -0.000007100000  0.000003200000 -0.000000900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000257500000 -0.000108700000  0.000053200000  0.000027800000 -0.000013900000  0.000006200000 -0.000001800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000464200000 -0.000195700000  0.000095800000  0.000050000000 -0.000025000000  0.000011100000 -0.000003300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000861300000 -0.000362700000  0.000177600000  0.000092600000 -0.000046400000  0.000020600000 -0.000006100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001685000000 -0.000709100000  0.000347200000  0.000181100000 -0.000090700000  0.000040300000 -0.000011800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003300000000 -0.001389100000  0.000680100000  0.000354700000 -0.000177600000  0.000079000000 -0.000023200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006329000000 -0.002668200000  0.001306800000  0.000681600000 -0.000341400000  0.000151800000 -0.000044500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.011787600000 -0.004988500000  0.002444900000  0.001275300000 -0.000638700000  0.000284000000 -0.000083300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.021114700000 -0.008999700000  0.004416500000  0.002304700000 -0.001154600000  0.000513500000 -0.000150600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.036283800000 -0.015655800000  0.007699200000  0.004019500000 -0.002013400000  0.000895300000 -0.000262700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.059740200000 -0.026276800000  0.012968000000  0.006777400000 -0.003397300000  0.001511100000 -0.000443200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.093674200000 -0.042440100000  0.021052200000  0.011013000000 -0.005517800000  0.002453600000 -0.000720100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.140814700000 -0.066612100000  0.033316400000  0.017476700000 -0.008775100000  0.003905400000 -0.001145100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.201722000000 -0.101836100000  0.051533600000  0.027084100000 -0.013572200000  0.006033600000 -0.001772000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.254976900000 -0.140535500000  0.072433600000  0.038326200000 -0.019327100000  0.008615300000 -0.002523900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.245393300000 -0.144553300000  0.075217800000  0.039718800000 -0.019826900000  0.008793800000 -0.002588300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.143741100000 -0.026162200000  0.003101400000  0.000278800000 -0.000246700000  0.000156400000 -0.000029000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.032513800000  0.292779300000 -0.242632100000 -0.145504900000  0.076414600000 -0.034458600000  0.010093500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000007800000  0.533535100000 -0.546417800000 -0.345456200000  0.180895300000 -0.081158200000  0.023924400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000793200000  0.283655400000 -0.289070000000 -0.199266700000  0.113743300000 -0.052728000000  0.015375100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000662200000  0.014204000000  0.581558700000  0.616960200000 -0.389249600000  0.184197000000 -0.054185900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000405200000  0.013213100000  0.680091400000  0.952243600000 -0.605808300000  0.284402300000 -0.084891000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000282400000 -0.007705400000  0.174834500000 -0.153982600000  0.124294700000 -0.054653900000  0.017325300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000194500000  0.004770800000 -0.001380900000 -0.986874500000  1.267933900000 -0.733822100000  0.222444100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000096600000 -0.002428400000  0.004109600000 -0.381335400000  0.386941300000 -0.194160500000  0.061496100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000040800000  0.001052500000 -0.001651800000 -0.021141200000 -1.192052400000  1.093540500000 -0.367499700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000021000000 -0.000524700000  0.000670800000  0.001316500000 -0.453343500000  0.594438300000 -0.211383800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000009100000  0.000227400000 -0.000289700000 -0.000551600000  0.005418700000 -0.980703700000  0.438008600000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000002600000 -0.000066600000  0.000088900000  0.000200100000 -0.005333100000 -0.634494000000  0.478876800000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000700000  0.000016700000 -0.000021700000 -0.000038700000  0.001147400000 -0.009881900000 -0.635173800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000200000 -0.000006400000  0.000008600000  0.000014000000 -0.000420700000  0.000327300000 -0.613697000000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  505386540.00000000
   71116197.00000000
   14360283.00000000
    3547662.80000000
    1011971.40000000
     323114.12000000
     113248.95000000
      43003.23700000
      17518.34500000
       7586.86390000
       3460.38980000
       1654.14300000
        824.30935000
        426.40533000
        227.35284000
        123.65800000
         68.53430900
         38.28790500
         21.11197500
         11.73117600
          6.44129240
          3.44664590
          1.78872190
          0.80763638
          0.36842871
          0.15281276
  0.000007000000 -0.000003700000 -0.000002000000 -0.000000900000  0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000022300000 -0.000011800000 -0.000006200000 -0.000003000000  0.000001200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000061000000 -0.000032400000 -0.000017000000 -0.000008200000  0.000003300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000152800000 -0.000081200000 -0.000042600000 -0.000020700000  0.000008200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000363500000 -0.000193600000 -0.000101600000 -0.000049300000  0.000019600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000842800000 -0.000450100000 -0.000236500000 -0.000114700000  0.000045600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001940900000 -0.001040800000 -0.000547300000 -0.000265500000  0.000105500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004495000000 -0.002423700000 -0.001276400000 -0.000619300000  0.000246200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.010502800000 -0.005709200000 -0.003012600000 -0.001462300000  0.000581600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.024718100000 -0.013593700000 -0.007194600000 -0.003496000000  0.001389800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.057271100000 -0.032085500000 -0.017059900000 -0.008296400000  0.003301700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.123709500000 -0.071264100000 -0.038174800000 -0.018611400000  0.007402400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.229151300000 -0.137165100000 -0.074214300000 -0.036249500000  0.014446900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.322664000000 -0.199075600000 -0.108718200000 -0.053302600000  0.021204200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.289386700000 -0.140233300000 -0.068082000000 -0.032039000000  0.012736700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.129342900000  0.152526300000  0.138093000000  0.075635500000 -0.031090700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.018818500000  0.482868800000  0.425897000000  0.236984000000 -0.096637100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001016000000  0.395110400000  0.289110400000  0.144099900000 -0.058434600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000396600000  0.106219900000 -0.352182500000 -0.288065600000  0.129722500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000141400000  0.005145400000 -0.643656400000 -0.603837000000  0.276053700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000116000000  0.000909100000 -0.251521100000 -0.017567200000 -0.020308700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000071800000 -0.000497200000 -0.020754400000  0.706973000000 -0.471688800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000026800000  0.000118200000 -0.001017800000  0.467298700000 -0.295955000000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000011700000 -0.000057400000  0.000217300000  0.056755400000  0.466235400000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000004700000  0.000023300000 -0.000054800000 -0.001834500000  0.631360800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000001200000 -0.000006000000  0.000011700000  0.000479500000  0.164868000000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      42829.34900000
      10629.42200000
       3719.33870000
       1525.43830000
        689.47529000
        334.02402000
        170.65464000
         90.28543600
         48.96896600
         26.72400600
         14.47038000
          7.83123690
          4.12780900
          2.11191300
          1.01858000
          0.40128074
          0.15110405
        521.93793e-4
  0.000091200000  0.000051500000  0.000023100000 -0.000005500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000566300000  0.000320900000  0.000144100000 -0.000034400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002743500000  0.001559300000  0.000699600000 -0.000166300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.011665400000  0.006682800000  0.003009800000 -0.000719000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.041722500000  0.024131100000  0.010871000000 -0.002585500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.119074000000  0.070218100000  0.031844500000 -0.007617600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.251477100000  0.149012600000  0.067473900000 -0.016042700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.361457600000  0.203991300000  0.091616600000 -0.021963600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.297313600000  0.076726700000  0.019372500000 -0.003707600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.115469400000 -0.263898500000 -0.165005000000  0.040512600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.015210000000 -0.490994700000 -0.299888100000  0.076030400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000593800000 -0.312381000000 -0.071091400000  0.008709200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000017200000 -0.064946600000  0.410367100000 -0.121990800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000008200000 -0.002024700000  0.521505300000 -0.167879600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000009700000 -0.000221200000  0.218883600000  0.047248500000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000001200000  0.000093600000  0.020177500000  0.375239800000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000000800000 -0.000028900000 -0.000970200000  0.507016100000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000300000  0.000009400000  0.000366500000  0.303020800000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2174.71610000
        726.11559000
        307.22081000
        147.10060000
         74.94484700
         39.62809500
         21.04257000
         11.05108400
          5.62988620
          2.67703060
          1.22318690
          0.52103734
          0.19542018
 -0.000195600000 -0.000064500000  0.000000000000  0.000000000000
 -0.001793800000 -0.000595300000  0.000000000000  0.000000000000
 -0.010338700000 -0.003430900000  0.000000000000  0.000000000000
 -0.040953300000 -0.013655300000  0.000000000000  0.000000000000
 -0.116883500000 -0.039055100000  0.000000000000  0.000000000000
 -0.242352100000 -0.079916900000  0.000000000000  0.000000000000
 -0.351452400000 -0.106291600000  0.000000000000  0.000000000000
 -0.331088200000 -0.065704100000  0.000000000000  0.000000000000
 -0.162307600000  0.123751800000  0.000000000000  0.000000000000
 -0.027144000000  0.356093800000  0.000000000000  0.000000000000
 -0.000109000000  0.419321300000  0.000000000000  0.000000000000
 -0.000307700000  0.291664200000  1.000000000000  0.000000000000
  0.000053900000  0.101838400000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Am.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.27el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
AMERICIUM (14s,10p,12d,9f) -> [2s,1p,2d,1f]
********************************************************************************
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on AmQR(10D)
********************************************************************************
    27.0   3
* s-type functions
   14    2
    8611243.92000000
     767906.21870000
     100897.76230000
      17624.61368000
       3783.04322900
        295.28854840
         49.98238030
         11.94802391
      46612.22566e-4
      27448.71074e-4
       6130.63724e-4
       2858.91749e-4
        615.60914e-4
        242.62662e-4
  0.000221648250  0.000058645503
  0.000852040080  0.000225443910
  0.002702404200  0.000715020170
  0.007630443200  0.002019150300
  0.017076691000  0.004518258300
 -0.114867620000 -0.030448990000
  0.374827420000  0.100182460000
 -0.846716870000 -0.233192460000
  0.114440170000  0.039260169000
  1.219510900000  0.361290890000
 -0.918676970000 -0.383638200000
 -0.442114750000 -0.340584460000
 -0.012916296000  0.689102560000
  0.002597598700  0.519697960000
* p-type functions
   10    1
      10952.24726000
       2012.98692800
        543.29520010
         71.72854291
         14.12232804
      38733.29791e-4
      26293.50157e-4
       6252.43978e-4
       2857.80111e-4
       1192.84861e-4
  0.002155833800
  0.011657030000
  0.033862645000
 -0.132917670000
  0.332879920000
 -0.249119560000
 -0.397513430000
  0.592464550000
  0.485668810000
  0.092131100000
* d-type functions
   12    2
       1116.09902700
        313.21485330
        112.78884890
         20.75704222
         10.24960366
      46990.84746e-4
      23679.15341e-4
      11390.01268e-4
       4929.20279e-4
       1808.95214e-4
        611.63586e-4
        239.45234e-4
  0.009802431200 -0.001654676000
  0.057879435000 -0.009853454100
  0.135159160000 -0.022694988000
 -0.317456210000  0.057383917000
 -0.216384960000  0.034641363000
  0.360341460000 -0.079205145000
  0.550204990000 -0.119238450000
  0.248761450000 -0.001745748000
  0.031196272000  0.203782380000
  0.000393268030  0.399945020000
  0.000227436700  0.436950960000
 -0.000063133713  0.248270600000
* f-type functions
    9    1
        321.87718320
        107.96622890
         43.75792537
         18.94756427
      40688.31896e-4
      19327.46634e-4
       8925.31328e-4
       3831.56515e-4
       1438.20541e-4
 -0.005332277600
 -0.034354804000
 -0.101825420000
 -0.135744970000
  0.250920590000
  0.389990400000
  0.353445340000
  0.218677240000
  0.075475354000
********************************************************************************
* Core AIMP:Am DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  6.8521811000e5  1.7122170400e5  5.9509296100e4  2.2327178100e4  8.7594249600e3  3.4675176400e3  1.4367801500e3  6.7236767800e2  2.4977460600e2  1.2777349000e2 26.563640100000
 15.400268500000  6.310452400000  3.710969300000  2.028799500000
  0.032230546826  0.024326397291  0.036585936738  0.052237017742  0.068021235319  0.089944975376  0.155320690216  0.189180144189  0.159496871248  0.487934606097  0.666946257813
  0.224571404657  0.241394861882  0.086580136874  0.003747436249
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  9.2645394000e3  1.7664959800e3  4.5698314000e2  1.2198607400e2 28.437432000000
        328.83756e10
        309.120950e9
48248284000.00000000
 9936340600.00000000
 2475550800.00000000
  720428000.00000000
  241118400.00000000
   86600941.00000000
   30894257.00000000
   10761587.00000000
    3730108.80000000
    1313692.60000000
     479941.38000000
     184569.62000000
      75297.12600000
      32749.03700000
      15115.77300000
       7260.95380000
       3576.78730000
       1802.95300000
        923.84902000
        472.46213000
        242.44783000
        123.82718000
         70.39248700
         39.24075200
         21.29026300
         12.03057300
          6.72099430
          3.31552660
          1.55884670
          0.76020720
          0.32166633
        779.39546e-4
        301.42432e-4
  0.000002400000 -0.000001000000  0.000000500000  0.000000300000 -0.000000100000
  0.000009399999 -0.000004000000  0.000002000000  0.000001000000 -0.000000500000
  0.000026799998 -0.000011499999  0.000005600000  0.000002900000 -0.000001500000
  0.000065399996 -0.000027899998  0.000013700000  0.000007200000 -0.000003600000
  0.000141999992 -0.000060399996  0.000029700000  0.000015500001 -0.000007800000
  0.000275699984 -0.000117099993  0.000057400000  0.000030000001 -0.000015100000
  0.000494899971 -0.000209899987  0.000102900000  0.000053800002 -0.000027100000
  0.000917899946 -0.000388799977  0.000190600001  0.000099600003 -0.000050099999
  0.001786799894 -0.000756399954  0.000370800001  0.000193800006 -0.000097499999
  0.003484799794 -0.001475499911  0.000723300003  0.000378000012 -0.000190299998
  0.006665199606 -0.002826399830  0.001386000005  0.000724500023 -0.000364599995
  0.012368999269 -0.005264999682  0.002583600009  0.001350700044 -0.000679799991
  0.022054898696 -0.009456499430  0.004646500017  0.002430000079 -0.001223199984
  0.037752797767 -0.016387599012  0.008069500029  0.004222300137 -0.002125499973
  0.061853696342 -0.027381498348  0.013531300049  0.007087300229 -0.003569399954
  0.096407894299 -0.043958797349  0.021836800079  0.011450500371 -0.005766799925
  0.143980391485 -0.068610595862  0.034368300124  0.018066400585 -0.009110899882
  0.204724387893 -0.104009993726  0.052718600191  0.027779800899 -0.014001999819
  0.255480384891 -0.141764691449  0.073168200265  0.038781901255 -0.019622299746
  0.242409385664 -0.141207691483  0.073284300265  0.038787101256 -0.019519299748
  0.137496891869 -0.014776799109 -0.004701100017 -0.004281200139  0.002264199971
  0.028783298298  0.310928081246 -0.259324400938 -0.155909505047  0.081932898941
  0.000510899970  0.532367367889 -0.553387902001 -0.352804711421  0.186838797585
  0.000208599988  0.263815984087 -0.241519800873 -0.161952905243  0.091214898821
 -0.000161399990  0.012510699245  0.615303702225  0.665396121541 -0.419666094575
  0.000053299997  0.010540499364  0.644986202332  0.916816129680 -0.595660392300
 -0.000026799998 -0.005991999639  0.158834600574 -0.231132407482  0.206778097327
  0.000020599999  0.003588399784 -0.002780000010 -0.988636832005  1.292853883287
 -0.000008300000 -0.001862899888  0.004310300016 -0.333682010802  0.306569096037
  0.000002600000  0.000799799952 -0.001796800006 -0.018672200604 -1.215652384285
 -0.000001500000 -0.000368899978  0.000701700003  0.001290400042 -0.435826094366
  0.000000600000  0.000163399990 -0.000312100001 -0.000662700021  0.017636899772
 -0.000000200000 -0.000048399997  0.000096300000  0.000241700008 -0.007982499897
  0.000000000000  0.000012299999 -0.000023800000 -0.000054100002  0.001816799977
  0.000000000000 -0.000004700000  0.000009000000  0.000020800001 -0.000688599991
   26    4
  1.4610262600e3  3.7165352000e2 93.658182000000 19.332227000000
  502976140.00000000
   70692481.00000000
   14267308.00000000
    3527264.40000000
    1007384.50000000
     322182.07000000
     113088.93000000
      42967.25000000
      17523.61900000
       7589.67300000
       3460.99630000
       1653.61950000
        824.09354000
        426.29266000
        227.27355000
        123.67164000
         68.56683700
         38.27721200
         21.15659700
         11.73630200
          6.36283190
          3.47237400
          1.80771940
          0.81629968
          0.37081238
          0.15131823
  0.000007500000 -0.000004000000 -0.000002100000 -0.000001000000
  0.000023800001 -0.000012700000 -0.000006700000 -0.000003200000
  0.000065000004 -0.000034600000 -0.000018200000 -0.000008900000
  0.000162300009 -0.000086399999 -0.000045499999 -0.000022200000
  0.000384900022 -0.000205399998 -0.000108199997 -0.000052700000
  0.000889000051 -0.000475799996 -0.000250699994 -0.000122200000
  0.002043300118 -0.001098199992 -0.000579299986 -0.000282400000
  0.004715700272 -0.002548599981 -0.001346199968 -0.000656399999
  0.010979700634 -0.005983499955 -0.003167299925 -0.001545399998
  0.025767001488 -0.014208299892 -0.007543099822 -0.003682599996
  0.059475103435 -0.033422399747 -0.017830799578 -0.008718399991
  0.127677207375 -0.073788599441 -0.039654799062 -0.019421299980
  0.234125313524 -0.140626198935 -0.076366298194 -0.037519999962
  0.324865318765 -0.200457598482 -0.109695097406 -0.053968799945
  0.284198416416 -0.132309998998 -0.062932798512 -0.029675999970
  0.122335707067  0.170327598710  0.152637596390  0.084405299914
  0.016744200967  0.490617296285  0.435355489705  0.242934699751
  0.000897500052  0.381047597115  0.266942593687  0.132155299865
 -0.000391500023  0.096350599270 -0.383811290924 -0.319009299673
  0.000137400008  0.004648899965 -0.642549284805 -0.605482999380
 -0.000110900006  0.000577299996 -0.227689894616  0.038187799961
  0.000071500004 -0.000364599997 -0.013592599679  0.712678899270
 -0.000026400002  0.000060000000 -0.002138399949  0.439887399550
  0.000011200001 -0.000033400000  0.000578899986  0.052001099947
 -0.000004400000  0.000012900000 -0.000197199995 -0.001285799999
  0.000001100000 -0.000003400000  0.000046199999  0.000423300000
   18    2
  2.9592574000e2 64.629046000000
      41531.81800000
      10332.26000000
       3544.16640000
       1441.99800000
        654.25482000
        320.41638000
        166.12860000
         89.65231500
         49.93678300
         28.27217300
         15.96399200
          9.12492520
          5.25333260
          3.01502590
          2.10766380
          1.49935810
          0.80722820
          0.36247888
  0.000100300005 -0.000056900004
  0.000636500029 -0.000362300025
  0.003203400147 -0.001830900124
  0.013561200623 -0.007809000529
  0.047071102163 -0.027409101856
  0.128514005906 -0.076240505162
  0.257431311831 -0.153177210371
  0.351052016133 -0.197239113354
  0.280291312881 -0.069979904738
  0.115184905294  0.232569915746
  0.019399000892  0.451089230540
  0.000716300033  0.332523022513
  0.000273400013  0.103993607041
 -0.000272400013  0.012835400869
  0.000220000010 -0.000366900025
 -0.000110500005  0.000636400043
  0.000012800001 -0.000075100005
 -0.000003700000  0.000008100001
   13    1
 35.030708000000
       2124.33380000
        715.33852000
        304.86178000
        146.86024000
         75.16149100
         39.83014800
         21.20292900
         11.21684100
          5.79197380
          2.82821870
          1.30606630
          0.54874312
          0.19793159
 -0.000221399995
 -0.001978399958
 -0.011154899764
 -0.043199399087
 -0.121607797429
 -0.248558894744
 -0.352955892537
 -0.322534793180
 -0.153805596748
 -0.026141299447
 -0.000422799991
 -0.000158499997
  0.000038999999
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Am.AE.Paulovic.35s26p18d13f.7s5p4d2f.95e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        318.72029e10
        310.958270e9
48643460000.00000000
 9978279300.00000000
 2479421900.00000000
  723812930.00000000
  241118400.00000000
   86567119.00000000
   30894257.00000000
   10757384.00000000
    3727007.40000000
    1313724.70000000
     479935.52000000
     184641.73000000
      75339.85300000
      32753.09400000
      15113.03000000
       7262.29550000
       3576.92990000
       1802.03060000
        926.16352000
        471.72206000
        242.67743000
        123.49052000
         70.83692300
         39.25033300
         22.11977200
         12.13919100
          6.84581460
          3.25592150
          1.55862480
          0.75586563
          0.31817345
        592.82337e-4
        244.66773e-4
  0.000002400000 -0.000001000000  0.000000500000  0.000000300000 -0.000000100000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000009300000 -0.000004000000  0.000002000000  0.000001000000 -0.000000500000  0.000000200000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000026700000 -0.000011400000  0.000005600000  0.000002900000 -0.000001500000  0.000000600000 -0.000000200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000065500000 -0.000027900000  0.000013700000  0.000007200000 -0.000003600000  0.000001600000 -0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000141600000 -0.000060300000  0.000029600000  0.000015500000 -0.000007800000  0.000003400000 -0.000000900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000275000000 -0.000116800000  0.000057300000  0.000029900000 -0.000015100000  0.000006600000 -0.000001700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000496900000 -0.000210700000  0.000103300000  0.000054000000 -0.000027200000  0.000011900000 -0.000003100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000916900000 -0.000388400000  0.000190400000  0.000099500000 -0.000050100000  0.000021900000 -0.000005800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001787000000 -0.000756500000  0.000370800000  0.000193800000 -0.000097500000  0.000042700000 -0.000011300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003488400000 -0.001477000000  0.000724000000  0.000378400000 -0.000190400000  0.000083400000 -0.000022000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006665500000 -0.002826500000  0.001386000000  0.000724500000 -0.000364600000  0.000159800000 -0.000042200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.012362900000 -0.005262500000  0.002582300000  0.001350000000 -0.000679400000  0.000297700000 -0.000078600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.022056000000 -0.009456700000  0.004646600000  0.002430000000 -0.001223200000  0.000536000000 -0.000141500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.037719900000 -0.016374100000  0.008062700000  0.004218800000 -0.002123500000  0.000930500000 -0.000245800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.061850500000 -0.027376900000  0.013529300000  0.007085800000 -0.003568800000  0.001564100000 -0.000412900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.096458600000 -0.043989900000  0.021851100000  0.011459000000 -0.005769500000  0.002528400000 -0.000668200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.143996400000 -0.068595900000  0.034363800000  0.018060900000 -0.009111000000  0.003994600000 -0.001053700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.204560900000 -0.103987200000  0.052699300000  0.027777400000 -0.013990600000  0.006131700000 -0.001622600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.255828700000 -0.141790300000  0.073197600000  0.038776700000 -0.019641500000  0.008620800000 -0.002269900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.242028700000 -0.141453600000  0.073389600000  0.038893600000 -0.019516600000  0.008544400000 -0.002272000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.137217000000 -0.013879400000 -0.005090200000 -0.004597900000  0.002301300000 -0.001003800000  0.000296800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.029555500000  0.310315500000 -0.259553400000 -0.155859200000  0.082188900000 -0.036442100000  0.009576800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000051400000  0.531812900000 -0.551036900000 -0.351732100000  0.185587900000 -0.082269600000  0.021899500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000691900000  0.266345400000 -0.250311400000 -0.167120700000  0.095963300000 -0.043511600000  0.011211100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000595500000  0.009080900000  0.620509500000  0.662099900000 -0.420950500000  0.195510600000 -0.051384100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000381600000  0.013142900000  0.641538800000  0.933473600000 -0.599773000000  0.279510700000 -0.075802300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000256800000 -0.007538300000  0.156012500000 -0.224090300000  0.182176100000 -0.086014000000  0.025183900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000162800000  0.004211700000  0.008318100000 -0.989244100000  1.314544100000 -0.750106300000  0.202521200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000082500000 -0.002183400000  0.000080300000 -0.346393900000  0.286792700000 -0.128574600000  0.038959900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000033400000  0.000909100000 -0.000159400000 -0.022773000000 -1.209882600000  1.116814600000 -0.338432800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000016700000 -0.000440000000 -0.000045900000  0.003071900000 -0.410292100000  0.481880500000 -0.143011200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000007100000  0.000186800000  0.000016500000 -0.001301400000  0.008244500000 -0.944729100000  0.355411200000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000001900000 -0.000050600000  0.000000500000  0.000387800000 -0.004949900000 -0.617105200000  0.418959900000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000400000  0.000011400000  0.000000800000 -0.000078500000  0.000939300000 -0.015072100000 -0.694182000000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000200000 -0.000005200000  0.000000300000  0.000036100000 -0.000411800000  0.003398400000 -0.500336500000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  501491330.00000000
   70692481.00000000
   14336663.00000000
    3548169.30000000
    1012798.80000000
     323043.55000000
     113213.68000000
      43000.91600000
      17522.48300000
       7585.68190000
       3461.33900000
       1653.93740000
        824.08287000
        426.42862000
        227.31589000
        123.59751000
         68.59143300
         38.31217300
         21.08471600
         11.74842100
          6.43034100
          3.45734050
          1.79024430
          0.81625414
          0.36429423
          0.15139883
  0.000007500000 -0.000004000000 -0.000002100000 -0.000001000000  0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000023700000 -0.000012600000 -0.000006600000 -0.000003200000  0.000001200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000064600000 -0.000034400000 -0.000018100000 -0.000008800000  0.000003400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000161500000 -0.000086000000 -0.000045300000 -0.000022100000  0.000008500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000383900000 -0.000204900000 -0.000107900000 -0.000052600000  0.000020300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000889200000 -0.000475900000 -0.000250800000 -0.000122200000  0.000047200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002042400000 -0.001097700000 -0.000579000000 -0.000282300000  0.000109000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004714500000 -0.002548000000 -0.001345900000 -0.000656300000  0.000253500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.010993200000 -0.005990700000 -0.003170900000 -0.001547200000  0.000597800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.025774000000 -0.014212700000 -0.007546200000 -0.003685000000  0.001423300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.059422400000 -0.033391500000 -0.017812400000 -0.008709000000  0.003367100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.127707700000 -0.073809300000 -0.039672000000 -0.019436600000  0.007510800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.234088300000 -0.140592500000 -0.076331900000 -0.037495400000  0.014517400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.324683400000 -0.200380600000 -0.109699500000 -0.054011200000  0.020874600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.284513500000 -0.132388100000 -0.062852300000 -0.029554500000  0.011394700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.122307300000  0.170487600000  0.152517000000  0.084165200000 -0.033580900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.016654400000  0.489576600000  0.435093900000  0.243246200000 -0.096409900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000934400000  0.381994900000  0.266065000000  0.130705600000 -0.051232800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000407700000  0.096727200000 -0.384733300000 -0.318477000000  0.139323800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000148800000  0.003967900000 -0.636227000000 -0.603775800000  0.268652100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000114700000  0.000869500000 -0.230124200000  0.036906500000 -0.050536900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000071400000 -0.000494300000 -0.015979300000  0.722033200000 -0.466667100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000026700000  0.000118200000 -0.001406300000  0.432959200000 -0.254180800000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000011500000 -0.000056200000  0.000351300000  0.049152300000  0.457508900000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000004500000  0.000021800000 -0.000109500000 -0.000539700000  0.620257800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000001200000 -0.000005700000  0.000029200000  0.000355400000  0.175863200000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      41079.51900000
      10260.59600000
       3530.98710000
       1446.63070000
        663.02207000
        328.41006000
        172.27921000
         93.43428000
         51.53269200
         28.29683400
         15.29824500
          8.21205290
          4.23424410
          2.11690980
          0.98533365
          0.34271014
          0.10814487
        316.14484e-4
  0.000101700000  0.000057700000  0.000026000000 -0.000004400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000642300000  0.000365600000  0.000165200000 -0.000028100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003209100000  0.001833900000  0.000827400000 -0.000139500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.013338400000  0.007682100000  0.003482100000 -0.000592800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.045389500000  0.026416600000  0.011966800000 -0.002017900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.121984500000  0.072348400000  0.033037100000 -0.005637100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.244958900000  0.145780500000  0.066311600000 -0.011153900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.348366300000  0.197870200000  0.089618200000 -0.015400900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.297780000000  0.085108100000  0.023890100000 -0.003192300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.123692000000 -0.247059900000 -0.156520400000  0.026846300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.017194700000 -0.495723300000 -0.307238400000  0.056089000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000697300000 -0.326648700000 -0.078274200000  0.006284500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000058500000 -0.065547700000  0.433894800000 -0.089019100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000001200000 -0.001313400000  0.526052200000 -0.121236300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000017300000 -0.000341000000  0.199545800000  0.055529100000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000001900000  0.000093900000  0.014581900000  0.314770100000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000001200000 -0.000031300000 -0.000921100000  0.498207900000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000400000  0.000009600000  0.000312400000  0.430676200000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2139.89450000
        717.81686000
        305.48798000
        146.94941000
         75.13104100
         39.78550300
         21.17420300
         11.20738400
          5.78222140
          2.80246030
          1.27564250
          0.51532166
          0.17416542
 -0.000218700000 -0.000071700000  0.000000000000  0.000000000000
 -0.001966600000 -0.000645800000  0.000000000000  0.000000000000
 -0.011125600000 -0.003665700000  0.000000000000  0.000000000000
 -0.043232000000 -0.014272300000  0.000000000000  0.000000000000
 -0.121828800000 -0.040417400000  0.000000000000  0.000000000000
 -0.249041100000 -0.081099500000  0.000000000000  0.000000000000
 -0.352925200000 -0.105343200000  0.000000000000  0.000000000000
 -0.322164300000 -0.058977200000  0.000000000000  0.000000000000
 -0.153962700000  0.125893700000  0.000000000000  0.000000000000
 -0.025813000000  0.345281400000  0.000000000000  0.000000000000
 -0.000292900000  0.419855200000  0.000000000000  0.000000000000
 -0.000164200000  0.309015900000  1.000000000000  0.000000000000
  0.000042600000  0.116016000000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Cm.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.28el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
CURIUM (14s,10p,12d,9f) -> [2s,1p,2d,1f]
********************************************************************************
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on CmQR(9D)
********************************************************************************
    28.0   3
* s-type functions
   14    2
   10854952.67000000
    1009754.53700000
     144538.91470000
      24190.73406000
       4379.70742100
        304.63025060
         51.51650653
         12.41665128
      34618.64389e-4
          2.53678502
       6604.88187e-4
       3042.16802e-4
          0.08040647
        309.87524e-4
  0.000208006450 -0.000059001599
  0.000747120210 -0.000211927120
  0.002242637800 -0.000636124210
  0.007083367600 -0.002009428300
  0.018443713000 -0.005231615800
 -0.116561160000  0.033128337000
  0.384594790000 -0.110259220000
 -0.865560920000  0.255658600000
  0.681208650000 -0.226204640000
  0.701586840000 -0.225492850000
 -0.969150490000  0.460732800000
 -0.425766900000  0.346047670000
 -0.007458412600 -0.627206620000
  0.000608502610 -0.614184080000
* p-type functions
   10    1
      10958.51312000
       2048.11710900
        557.05634500
         73.80692135
         14.60823338
      37633.28334e-4
      25072.85545e-4
       6790.47369e-4
       3140.66304e-4
       1298.68412e-4
  0.002310774600
  0.012155680000
  0.034899982000
 -0.137770930000
  0.344643650000
 -0.380635540000
 -0.295392110000
  0.601163520000
  0.490442800000
  0.090207484000
* d-type functions
   12    2
       1148.57236600
        322.32363320
        116.09623680
         21.27363718
         10.26236217
      51155.17108e-4
      25904.70209e-4
      12779.99773e-4
          0.56273641
       2434.20637e-4
       1017.26594e-4
        375.34636e-4
  0.009943302400 -0.002529424400
  0.058603680000 -0.015049783000
  0.137252270000 -0.034711732000
 -0.328343160000  0.089908141000
 -0.226790100000  0.054562240000
  0.345478680000 -0.114043140000
  0.549961280000 -0.189785480000
  0.270476230000 -0.005558669800
  0.038766771000  0.293764260000
 -0.000892678530  0.437661210000
  0.000628875970  0.371403060000
 -0.000237606210  0.120694980000
* f-type functions
    9    1
        337.30234440
        113.13121840
         45.85308275
         19.84288698
      42723.95361e-4
      20477.87622e-4
       9677.68726e-4
       4345.32501e-4
       1742.14591e-4
 -0.005472282500
 -0.035574931000
 -0.107106230000
 -0.144873510000
  0.266402430000
  0.400803330000
  0.343307970000
  0.192026740000
  0.053698421000
********************************************************************************
* Core AIMP:Cm DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  7.9030338000e5  2.1829347700e5  8.2408844500e4  3.3275663200e4  1.4046186100e4  6.0832398200e3  2.6567825400e3  1.2362262700e3  6.2572992500e2  2.4108779400e2  1.3032740600e2
 27.019578500000 14.365880700000  5.953745050000  3.180646080000
  0.028782254514  0.019498207587  0.028455145627  0.040269728645  0.052919855169  0.065009372550  0.090714817901  0.152503106133  0.157157680393  0.157842734976  0.457119474885
  0.679759662645  0.199798226720  0.255015612022  0.043725548804
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  9.5083574000e3  1.8204831200e3  4.7268152000e2  1.2713785600e2 30.087728000000
        328.83756e10
        309.000220e9
48248284000.00000000
 9936340600.00000000
 2475550800.00000000
  720428000.00000000
  241120930.00000000
   86600941.00000000
   30893502.00000000
   10774206.00000000
    3731439.40000000
    1313693.70000000
     479871.08000000
     184487.44000000
      75267.71900000
      32749.03700000
      15119.20300000
       7260.95380000
       3578.59590000
       1802.90900000
        922.97027000
        472.83284000
        242.40619000
        121.38358000
         70.36617300
         39.27994600
         21.29459500
         12.02961300
          6.67178520
          3.31980660
          1.53657840
          0.76044484
          0.32154622
        785.29814e-4
        306.09801e-4
  0.000002600000 -0.000001200000  0.000000600000  0.000000300000 -0.000000200000
  0.000010300000 -0.000004499999  0.000002200000  0.000001100000 -0.000000600000
  0.000029199999 -0.000012599999  0.000006200000  0.000003200000 -0.000001600000
  0.000070799999 -0.000030399997  0.000014900001  0.000007800000 -0.000004000000
  0.000152999997 -0.000065499993  0.000032200002  0.000016900000 -0.000008499999
  0.000295699994 -0.000126399986  0.000062000003  0.000032500000 -0.000016499999
  0.000528599990 -0.000225499975  0.000110700006  0.000058000000 -0.000029399998
  0.000978099981 -0.000416799953  0.000204600011  0.000107200000 -0.000054199996
  0.001893699964 -0.000806399909  0.000395800021  0.000207300001 -0.000104999991
  0.003681099929 -0.001567699823  0.000769400041  0.000403100001 -0.000203999983
  0.007023799865 -0.002995899662  0.001470900077  0.000770600003 -0.000390099968
  0.012973699750 -0.005554999374  0.002729200144  0.001430000005 -0.000723999941
  0.023045999556 -0.009940398880  0.004890300257  0.002563300009 -0.001297899894
  0.039273999243 -0.017152698068  0.008456800445  0.004435000016 -0.002245799816
  0.064002698767 -0.028511996788  0.014108800743  0.007406500026 -0.003752199692
  0.099147098090 -0.045510794873  0.022638701192  0.011898700042 -0.006028099506
  0.147214297164 -0.070629592043  0.035433601866  0.018669300066 -0.009470299223
  0.207484396003 -0.106164388039  0.053890502837  0.028466400101 -0.014434198816
  0.255753595073 -0.142554283939  0.073670803879  0.039132700139 -0.019915098367
  0.238950195397 -0.137934284460  0.071338203756  0.037803800134 -0.019132198431
  0.131258197471 -0.001805999797 -0.013502700711 -0.009347700033  0.004917799597
  0.026064399498  0.326282563240 -0.274880414472 -0.166021800588  0.087797392800
  0.000493499990  0.533452739900 -0.559406129452 -0.358842201271  0.191543784292
  0.000115099998  0.250753371750 -0.205145610801 -0.133847400474  0.075869793778
 -0.000092499998 -0.001795899798  0.653549334408  0.716111002536 -0.456071262599
  0.000007700000  0.015056898304  0.614471532351  0.882647203125 -0.579019052517
  0.000005400000 -0.008798299009  0.144926407630 -0.306664101086  0.277401877251
 -0.000000700000  0.005338199399 -0.005500700290 -0.984622303486  1.337841890289
  0.000002500000 -0.002750399690  0.005070900267 -0.290670101029  0.175047085645
 -0.000002000000  0.001188899866 -0.002202600116 -0.014125700050 -1.238962198398
  0.000000700000 -0.000551099938  0.000907600048  0.000957900003 -0.376491869125
 -0.000000300000  0.000251799972 -0.000415400022 -0.000550200002  0.022320998170
  0.000000100000 -0.000073599992  0.000125600007  0.000214100001 -0.007734199366
  0.000000000000  0.000018899998 -0.000031700002 -0.000049500000  0.001764199855
  0.000000000000 -0.000007199999  0.000012100001  0.000019200000 -0.000665999945
   26    4
  1.4998645400e3  3.8337682000e2 97.513682000000 20.524038000000
  498021350.00000000
   70064692.00000000
   14129150.00000000
    3488967.60000000
     998442.51000000
     320583.32000000
     112744.50000000
      42932.94200000
      17533.62100000
       7594.64300000
       3461.17700000
       1652.89370000
        823.66161000
        426.25930000
        227.27865000
        123.55157000
         68.68755900
         38.40830700
         21.10774100
         11.79506800
          6.45091380
          3.49040460
          1.81926090
          0.82582136
          0.37867281
          0.15482424
  0.000008000000 -0.000004300000 -0.000002300000 -0.000001100000
  0.000025400001 -0.000013500000 -0.000007100000 -0.000003500000
  0.000069400004 -0.000037000000 -0.000019499999 -0.000009600000
  0.000173100010 -0.000092400000 -0.000048799998 -0.000023899999
  0.000408000024 -0.000218200000 -0.000115199995 -0.000056599998
  0.000938500055 -0.000503300000 -0.000265999989 -0.000130599996
  0.002150800127 -0.001158500000 -0.000612999975 -0.000300999990
  0.004939800291 -0.002675899999 -0.001417899941 -0.000696399978
  0.011469200675 -0.006265499998 -0.003326899862 -0.001635199948
  0.026850101581 -0.014845499996 -0.007907199672 -0.003888799877
  0.061754203636 -0.034806299991 -0.018628799228 -0.009175799710
  0.131724407756 -0.076379499979 -0.041191598294 -0.020324899357
  0.239069214076 -0.144058099961 -0.078489096749 -0.038850098770
  0.326432419220 -0.201420399946 -0.110510595422 -0.054762998267
  0.279124016435 -0.123876999967 -0.057168097632 -0.026834099151
  0.115628206808  0.188235499949  0.167104193078  0.093055397055
  0.014600600860  0.494241999867  0.442325381676  0.249088392116
  0.000953000056  0.368656099901  0.242790089942  0.117027196296
 -0.000476300028  0.088835099976 -0.414260882839 -0.348073488983
  0.000196800012  0.002855999999 -0.625951474069 -0.601641080957
 -0.000139700008  0.000945800000 -0.211625691233  0.087204897240
  0.000086100005 -0.000556300000 -0.012869099467  0.727805676964
 -0.000033600002  0.000149900000 -0.001491799938  0.407293387109
  0.000014100001 -0.000066700000  0.000410099983  0.043332598628
 -0.000005600000  0.000026500000 -0.000131799995 -0.001085099966
  0.000001400000 -0.000006700000  0.000029999999  0.000270699991
   18    2
  3.0531504000e2 67.585792000000
      43051.86600000
      10766.68900000
       3659.71110000
       1466.73250000
        654.24146000
        315.54499000
        162.82989000
         88.97691200
         51.13625900
         30.20294900
         17.19786000
          9.54007640
          5.06206360
          2.60397910
          1.25824530
          0.51240583
          0.19639093
        663.65289e-4
  0.000100200005  0.000057100005
  0.000630500032  0.000360300029
  0.003238600167  0.001860700152
  0.014086600725  0.008146200664
  0.050307702588  0.029467702400
  0.138267407113  0.082428206714
  0.266841713727  0.159527412994
  0.340563417520  0.189880115467
  0.259882413369  0.065127605305
  0.117940606067 -0.202589016502
  0.024623201267 -0.454523037023
  0.000556600029 -0.370191730154
  0.000331700017 -0.101039408230
 -0.000177700009 -0.004529400369
  0.000047500002 -0.000579900047
 -0.000022300001  0.000189600015
  0.000006600000 -0.000064000005
 -0.000002600000  0.000020600002
   13    1
 37.294910000000
       2117.82270000
        713.44183000
        304.39801000
        146.83060000
         75.19324900
         39.85186400
         21.22147600
         11.23668500
          5.79792950
          2.82509320
          1.31447050
          0.57117533
          0.21883797
 -0.000240300016
 -0.002134800142
 -0.011932700793
 -0.045675303036
 -0.127371208466
 -0.256185717028
 -0.356554823699
 -0.315674120982
 -0.142725209486
 -0.021880201454
 -0.000276300018
 -0.000128000009
  0.000030700002
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Cm.AE.Paulovic.35s26p18d13f.7s5p4d2f.96e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        328.83756e10
        309.000220e9
48248284000.00000000
 9936340600.00000000
 2475550800.00000000
  720428000.00000000
  241120930.00000000
   86600941.00000000
   30893502.00000000
   10774206.00000000
    3731439.40000000
    1313693.70000000
     479871.08000000
     184487.44000000
      75267.71900000
      32749.03700000
      15119.20300000
       7260.95380000
       3578.59590000
       1802.90900000
        922.97027000
        472.83284000
        242.40619000
        121.38358000
         70.36617300
         39.27994600
         21.29459500
         12.02961300
          6.67178520
          3.31980660
          1.53657840
          0.76044484
          0.32154622
        785.29814e-4
        306.09801e-4
  0.000002600000 -0.000001200000  0.000000600000  0.000000300000 -0.000000200000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000010300000 -0.000004500000  0.000002200000  0.000001100000 -0.000000600000  0.000000300000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000029200000 -0.000012600000  0.000006200000  0.000003200000 -0.000001600000  0.000000700000 -0.000000200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000070800000 -0.000030400000  0.000014900000  0.000007800000 -0.000004000000  0.000001800000 -0.000000500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000153000000 -0.000065500000  0.000032200000  0.000016900000 -0.000008500000  0.000003800000 -0.000001100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000295700000 -0.000126400000  0.000062000000  0.000032500000 -0.000016500000  0.000007300000 -0.000002100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000528600000 -0.000225500000  0.000110700000  0.000058000000 -0.000029400000  0.000013100000 -0.000003700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000978100000 -0.000416800000  0.000204600000  0.000107200000 -0.000054200000  0.000024200000 -0.000006900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001893700000 -0.000806400000  0.000395800000  0.000207300000 -0.000105000000  0.000046800000 -0.000013300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003681100000 -0.001567700000  0.000769400000  0.000403100000 -0.000204000000  0.000091000000 -0.000025800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.007023800000 -0.002995900000  0.001470900000  0.000770600000 -0.000390100000  0.000174000000 -0.000049300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.012973700000 -0.005555000000  0.002729200000  0.001430000000 -0.000724000000  0.000322900000 -0.000091500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.023046000000 -0.009940400000  0.004890300000  0.002563300000 -0.001297900000  0.000578900000 -0.000164000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.039274000000 -0.017152700000  0.008456800000  0.004435000000 -0.002245800000  0.001001800000 -0.000283900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.064002700000 -0.028512000000  0.014108800000  0.007406500000 -0.003752200000  0.001673800000 -0.000474200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.099147100000 -0.045510800000  0.022638700000  0.011898700000 -0.006028100000  0.002689400000 -0.000762200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.147214300000 -0.070629600000  0.035433600000  0.018669300000 -0.009470400000  0.004225400000 -0.001197100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.207484400000 -0.106164400000  0.053890600000  0.028466400000 -0.014434300000  0.006442400000 -0.001826300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.255753600000 -0.142554400000  0.073670800000  0.039132800000 -0.019915300000  0.008889800000 -0.002518500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.238950100000 -0.137934300000  0.071338300000  0.037803900000 -0.019132300000  0.008543000000 -0.002422100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.131258200000 -0.001806100000 -0.013502800000 -0.009347800000  0.004917800000 -0.002237400000  0.000636000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.026064400000  0.326282600000 -0.274880200000 -0.166022000000  0.087798200000 -0.039542800000  0.011226400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000493500000  0.533452300000 -0.559406000000 -0.358843000000  0.191545300000 -0.086701700000  0.024609600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000115200000  0.250753500000 -0.205145600000 -0.133847400000  0.075870700000 -0.034499500000  0.009867000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000092600000 -0.001796100000  0.653548300000  0.716112100000 -0.456075500000  0.214708900000 -0.061523800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000007800000  0.015057500000  0.614469800000  0.882646500000 -0.579022400000  0.277923000000 -0.079381300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000005300000 -0.008798400000  0.144927300000 -0.306663900000  0.277400600000 -0.142523100000  0.040731500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000000700000  0.005338600000 -0.005500000000 -0.984620000000  1.337856300000 -0.780454700000  0.231853000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000002500000 -0.002750500000  0.005072000000 -0.290667400000  0.175044300000 -0.060153700000  0.014966500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000002000000  0.001189100000 -0.002202700000 -0.014127900000 -1.238970800000  1.188543700000 -0.381472400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000000700000 -0.000551000000  0.000908200000  0.000956800000 -0.376486800000  0.424849300000 -0.153340300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000000300000  0.000251900000 -0.000415400000 -0.000552800000  0.022318900000 -1.047715800000  0.472620700000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000000100000 -0.000073500000  0.000126400000  0.000212600000 -0.007725900000 -0.528244800000  0.398725000000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000000000  0.000018900000 -0.000031700000 -0.000049100000  0.001764800000 -0.004340600000 -0.643479600000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000000000 -0.000007100000  0.000011700000  0.000020200000 -0.000674600000 -0.000699200000 -0.592733700000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  498021350.00000000
   70064692.00000000
   14129150.00000000
    3488967.60000000
     998442.51000000
     320583.32000000
     112744.50000000
      42932.94200000
      17533.62100000
       7594.64300000
       3461.17700000
       1652.89370000
        823.66161000
        426.25930000
        227.27865000
        123.55157000
         68.68755900
         38.40830700
         21.10774100
         11.79506800
          6.45091380
          3.49040460
          1.81926090
          0.82582136
          0.37867281
          0.15482424
  0.000008000000 -0.000004300000 -0.000002300000 -0.000001100000  0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000025400000 -0.000013500000 -0.000007100000 -0.000003500000  0.000001400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000069400000 -0.000037000000 -0.000019500000 -0.000009600000  0.000003800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000173100000 -0.000092400000 -0.000048800000 -0.000023900000  0.000009500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000408000000 -0.000218200000 -0.000115200000 -0.000056600000  0.000022400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000938500000 -0.000503300000 -0.000266000000 -0.000130600000  0.000051700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002150800000 -0.001158500000 -0.000613000000 -0.000301000000  0.000119100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004939800000 -0.002675900000 -0.001417900000 -0.000696400000  0.000275500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.011469200000 -0.006265500000 -0.003326900000 -0.001635200000  0.000647600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.026850100000 -0.014845500000 -0.007907200000 -0.003888800000  0.001538700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.061754200000 -0.034806300000 -0.018628800000 -0.009175800000  0.003637100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.131724400000 -0.076379500000 -0.041191600000 -0.020324900000  0.008044100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.239069200000 -0.144058100000 -0.078489100000 -0.038850100000  0.015428900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.326432500000 -0.201420400000 -0.110510600000 -0.054763000000  0.021652500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.279124000000 -0.123877000000 -0.057168100000 -0.026834100000  0.010668500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.115628200000  0.188235500000  0.167104200000  0.093055400000 -0.038259400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.014600600000  0.494242000000  0.442325500000  0.249088400000 -0.100820600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000953000000  0.368656100000  0.242790100000  0.117027200000 -0.047580500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000476300000  0.088835100000 -0.414260800000 -0.348073500000  0.158236200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000196800000  0.002856000000 -0.625951500000 -0.601641100000  0.272410100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000139700000  0.000945800000 -0.211625700000  0.087204900000 -0.076493200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000086100000 -0.000556300000 -0.012869100000  0.727805800000 -0.496565500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000033600000  0.000149900000 -0.001491800000  0.407293300000 -0.222344100000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000014100000 -0.000066700000  0.000410200000  0.043332600000  0.497790900000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000005600000  0.000026500000 -0.000131800000 -0.001085100000  0.602791400000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000001400000 -0.000006700000  0.000030000000  0.000270700000  0.149324500000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      43051.86600000
      10766.68900000
       3659.71110000
       1466.73250000
        654.24146000
        315.54499000
        162.82989000
         88.97691200
         51.13625900
         30.20294900
         17.19786000
          9.54007640
          5.06206360
          2.60397910
          1.25824530
          0.51240583
          0.19639093
        663.65289e-4
  0.000100200000  0.000057100000  0.000026100000 -0.000006700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000630500000  0.000360300000  0.000164600000 -0.000042200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003238600000  0.001860700000  0.000850300000 -0.000217000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.014086600000  0.008146200000  0.003732700000 -0.000956500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.050307700000  0.029467700000  0.013527700000 -0.003454300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.138267400000  0.082428200000  0.038053600000 -0.009769200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.266841700000  0.159527400000  0.073539700000 -0.018751900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.340563400000  0.189880100000  0.086259400000 -0.022244600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.259882300000  0.065127600000  0.015053400000 -0.002696100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.117940600000 -0.202589000000 -0.131392800000  0.034410200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.024623200000 -0.454523000000 -0.287250600000  0.078695000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000556600000 -0.370191700000 -0.153052700000  0.033682500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000331700000 -0.101039400000  0.334714000000 -0.109099200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000177700000 -0.004529400000  0.553359400000 -0.193312400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000047500000 -0.000579900000  0.276336700000  0.005391800000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000022300000  0.000189600000  0.032645500000  0.352671900000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000006600000 -0.000064000000 -0.001299000000  0.520596200000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000002600000  0.000020600000  0.000336700000  0.328425600000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2117.82270000
        713.44183000
        304.39801000
        146.83060000
         75.19324900
         39.85186400
         21.22147600
         11.23668500
          5.79792950
          2.82509320
          1.31447050
          0.57117533
          0.21883797
 -0.000240300000 -0.000083800000  0.000000000000  0.000000000000
 -0.002134800000 -0.000743900000  0.000000000000  0.000000000000
 -0.011932700000 -0.004180300000  0.000000000000  0.000000000000
 -0.045675300000 -0.016008500000  0.000000000000  0.000000000000
 -0.127371200000 -0.044934800000  0.000000000000  0.000000000000
 -0.256185700000 -0.088298200000  0.000000000000  0.000000000000
 -0.356554800000 -0.112191200000  0.000000000000  0.000000000000
 -0.315674100000 -0.054287400000  0.000000000000  0.000000000000
 -0.142725200000  0.149579400000  0.000000000000  0.000000000000
 -0.021880200000  0.369962100000  0.000000000000  0.000000000000
 -0.000276300000  0.406131000000  0.000000000000  0.000000000000
 -0.000128000000  0.267645500000  1.000000000000  0.000000000000
  0.000030700000  0.090428200000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Bk.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.29el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
BERKELIUM (14s,10p,12d,9f) -> [2s,1p,2d,1f]
********************************************************************************
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on BkQR(8H)
********************************************************************************
    29.0   3
* s-type functions
   14    2
   10317938.62000000
     980378.57100000
     141723.40620000
      24190.73348000
       4494.86863300
        316.04160250
         53.20132377
         12.88099668
      35884.58774e-4
          2.67225421
       6797.37697e-4
       3125.25067e-4
        795.15738e-4
        304.94539e-4
  0.000229149780 -0.000064768700
  0.000807722140 -0.000228306000
  0.002387885900 -0.000674923420
  0.007303274300 -0.002064484000
  0.018433146000 -0.005210033500
 -0.117556060000  0.033292188000
  0.389202440000 -0.111187190000
 -0.876497810000  0.257943490000
  0.703690780000 -0.231521040000
  0.679579230000 -0.219005350000
 -0.982760200000  0.471869310000
 -0.405507590000  0.325762000000
 -0.007682091500 -0.679489660000
  0.000980488450 -0.557528980000
* p-type functions
   10    1
      10960.61125000
       2081.34057200
        570.39480300
         75.99872385
         15.04396523
          4.03330960
      26708.33578e-4
       7063.96486e-4
       3223.22404e-4
       1269.86762e-4
  0.002412841700
  0.012361473000
  0.035030933000
 -0.138856980000
  0.349318870000
 -0.344659790000
 -0.334483690000
  0.602752820000
  0.497717530000
  0.081990929000
* d-type functions
   12    2
       1185.66625800
        332.01528300
        119.42055960
         21.92544234
         10.75765234
          5.14672367
      26328.62814e-4
      13044.34752e-4
       5775.01376e-4
       2331.90158e-4
        903.07061e-4
        348.81084e-4
  0.010000787000 -0.002391016800
  0.059099982000 -0.014266013000
  0.138966790000 -0.033028704000
 -0.330975760000  0.085309618000
 -0.219997250000  0.049446314000
  0.360940520000 -0.114067070000
  0.541721410000 -0.170993740000
  0.258026340000 -0.004291750400
  0.035789901000  0.285825010000
 -0.000401544700  0.465132240000
  0.000417547170  0.369103180000
 -0.000189768250  0.115853220000
* f-type functions
    9    1
        350.89523270
        117.61876680
         47.69940476
         20.67030860
      44708.95917e-4
      21354.66254e-4
      10041.66719e-4
       4524.33001e-4
       1824.31016e-4
 -0.005490862000
 -0.035907849000
 -0.108954090000
 -0.148329890000
  0.273192670000
  0.405305920000
  0.338387520000
  0.185664340000
  0.053096670000
********************************************************************************
* Core AIMP:Bk DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  6.8815639000e5  1.7240742000e5  6.0015671800e4  2.2567597100e4  8.9076800900e3  3.5597560600e3  1.4932698400e3  7.0418464200e2  1.3538299600e2  2.6243459700e2 27.940306600000
  6.222723050000 15.052313700000  3.325391540000
  0.031117776238  0.023358916659  0.034941514812  0.049275453325  0.063247940572  0.084217609810  0.145470332258  0.173257782301  0.453047886045  0.148759677531  0.654562089020
  0.247635632841  0.192634937436  0.043300037360
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  9.7570172000e3  1.8755102600e3  4.8840620000e2  1.3203976600e2 31.397222000000
        328.92027e10
        308.999640e9
48207415000.00000000
 9936340600.00000000
 2463913700.00000000
  718162640.00000000
  241120930.00000000
   86786178.00000000
   30999086.00000000
   10788793.00000000
    3731439.40000000
    1313180.60000000
     479496.33000000
     184415.39000000
      75241.16200000
      32745.81400000
      15119.20300000
       7260.61930000
       3577.89520000
       1802.88650000
        922.83438000
        472.24438000
        243.03673000
        121.36865000
         70.36271700
         39.24197100
         21.30763300
         12.02925900
          6.45346540
          3.30253150
          1.32080830
          0.76137158
          0.32053513
        805.33533e-4
        305.87145e-4
  0.000002900000 -0.000001300000  0.000000600000  0.000000300000 -0.000000200000
  0.000011299999 -0.000004900000  0.000002400000  0.000001300000 -0.000000600000
  0.000031799998 -0.000013799999  0.000006800000  0.000003600000 -0.000001800000
  0.000076799996 -0.000033199998  0.000016300000  0.000008600000 -0.000004400000
  0.000165699991 -0.000071399995  0.000035100000  0.000018399999 -0.000009400000
  0.000316899983 -0.000136199991  0.000067000000  0.000035199999 -0.000017900000
  0.000563999971 -0.000242099984  0.000119000000  0.000062499998 -0.000031800000
  0.001037899946 -0.000444999970  0.000218600000  0.000114799996 -0.000058400000
  0.002006999895 -0.000859799943  0.000422399999  0.000221799993 -0.000112799999
  0.003897199797 -0.001669699889  0.000820399998  0.000430699985 -0.000219099999
  0.007400499614 -0.003175399789  0.001560799997  0.000819399972 -0.000416899997
  0.013617799289 -0.005865799610  0.002885199995  0.001514999949 -0.000770899995
  0.024077698743 -0.010448099305  0.005146199990  0.002703199909 -0.001375599991
  0.040825297869 -0.017941398807  0.008856599983  0.004654599843 -0.002368999985
  0.066220296544 -0.029686398026  0.014708499973  0.007738099739 -0.003939299975
  0.101951494679 -0.047117396867  0.023470699956  0.012362599582 -0.006296399960
  0.150431592148 -0.072653195169  0.036499299932  0.019274199349 -0.009821699937
  0.210221489027 -0.108348892795  0.055086999897  0.029160699015 -0.014873699904
  0.256001886638 -0.143193590478  0.074061999862  0.039430698668 -0.020136499871
  0.234753887747 -0.134148591080  0.069131299871  0.036638498762 -0.018699099880
  0.125400593455  0.012003899202 -0.023142299957 -0.014871899498  0.007994999949
  0.023548798771  0.341605077284 -0.290644899458 -0.176525594036  0.093529399399
  0.000446599977  0.526425064994 -0.557194998960 -0.359135187866  0.193769298756
  0.000025799999  0.237244584224 -0.167251499688 -0.104379996473  0.056941399634
 -0.000009699999 -0.006086199595  0.681413398728  0.762136374250 -0.484986496885
 -0.000049499997  0.015347398979  0.587336698904  0.844549871465 -0.567746596354
  0.000045699998 -0.008998799402  0.127355899762 -0.380541387143  0.367233697642
 -0.000026299999  0.005237399652 -0.004724399991 -0.982800166794  1.350129291329
  0.000015199999 -0.002624799825  0.004103599992 -0.249320591576  0.061837799603
 -0.000007400000  0.001134499925 -0.001844799997 -0.003487499882 -1.294168891688
  0.000003600000 -0.000571499962  0.000819199998 -0.001853699937 -0.329882797881
 -0.000002200000  0.000344699977 -0.000493699999  0.000933099968  0.077081399505
  0.000000600000 -0.000085699994  0.000126800000 -0.000166399994 -0.016098399897
 -0.000000100000  0.000020999999 -0.000030500000  0.000044199999  0.003552099977
  0.000000000000 -0.000007599999  0.000011100000 -0.000015799999 -0.001276699992
   26    4
  1.5389721600e3  3.9492898000e2  1.0105788000e2 21.368124000000
  497669330.00000000
   69915323.00000000
   14087366.00000000
    3477698.00000000
     995698.96000000
     319983.83000000
     112635.40000000
      42923.41300000
      17537.00500000
       7596.02520000
       3461.18600000
       1652.68640000
        823.53396000
        426.24286000
        227.26215000
        123.46845000
         68.72021800
         38.42982100
         21.10406200
         11.81751500
          6.45328890
          3.49480930
          1.82268460
          0.82754257
          0.37852822
          0.15436163
  0.000008600000 -0.000004600000 -0.000002400000 -0.000001200000
  0.000027100001 -0.000014400000 -0.000007600000 -0.000003800000
  0.000073700002 -0.000039400001 -0.000020800001 -0.000010300001
  0.000183500004 -0.000098100003 -0.000051900003 -0.000025600001
  0.000431300010 -0.000231100007 -0.000122400006 -0.000060400003
  0.000989500023 -0.000531800015 -0.000281900014 -0.000139100007
  0.002261200053 -0.001220600034 -0.000647700032 -0.000319900016
  0.005178000120 -0.002811400079 -0.001494100075 -0.000737900038
  0.011987100278 -0.006564500185 -0.003496100175 -0.001728200088
  0.027973000650 -0.015507900437 -0.008285300414 -0.004097500209
  0.064054501488 -0.036209901020 -0.019442100973 -0.009632500490
  0.135732203153 -0.078958302224 -0.042720102137 -0.021196401079
  0.243943805666 -0.147457604154 -0.080613604032 -0.040144702044
  0.327903107616 -0.202202705696 -0.111145005560 -0.055343502817
  0.273738906358 -0.114946703238 -0.051127402557 -0.023844601214
  0.109106902534  0.206303905812  0.182243209116  0.102268805206
  0.012741300296  0.498626514047  0.448990622459  0.254193412940
  0.000934400022  0.354705909993  0.217519610881  0.101577905171
 -0.000510900012  0.080537102269 -0.444905422255 -0.379159319302
  0.000221300005  0.002166300061 -0.613320930679 -0.594872630283
 -0.000149100003  0.000834400024 -0.192779809643  0.144457307354
  0.000091300002 -0.000512600014 -0.009950800498  0.733565637344
 -0.000036200001  0.000135300004 -0.001520900076  0.374490619064
  0.000014900000 -0.000059400002  0.000434800022  0.036774701872
 -0.000005900000  0.000023500001 -0.000143600007 -0.000832600042
  0.000001500000 -0.000005900000  0.000032500002  0.000196500010
   18    2
  3.1446510000e2 70.207708000000
      45059.76200000
      11182.07000000
       3725.88420000
       1473.59420000
        653.58776000
        315.01255000
        162.40470000
         88.90663700
         51.47744500
         30.56767200
         17.37299400
          9.64881750
          5.12389380
          2.63237000
          1.26623720
          0.49650708
          0.18244067
        604.30199e-4
  0.000099100000  0.000056799997
  0.000636400001  0.000365199980
  0.003366400006  0.001943699895
  0.014828800028  0.008613599534
  0.052734500101  0.031059898320
  0.143563200275  0.085983695348
  0.273671300524  0.164328391110
  0.339027600649  0.187846089838
  0.251249000481  0.056899896922
  0.114360100219 -0.212292288516
  0.023002800044 -0.460595275083
  0.000512500001 -0.359709380541
  0.000253300000 -0.094273294900
 -0.000146900000 -0.003715699799
  0.000030400000 -0.000608599967
 -0.000015900000  0.000181099990
  0.000004400000 -0.000061699997
 -0.000001800000  0.000021499999
   13    1
 39.220066000000
       2112.06940000
        713.21228000
        304.06689000
        146.84618000
         75.21075500
         39.84743300
         21.23829400
         11.24708400
          5.78972640
          2.82420640
          1.31385840
          0.57146932
          0.22045794
 -0.000259000010
 -0.002293000085
 -0.012752300470
 -0.048202901778
 -0.133454204922
 -0.263668109724
 -0.359529413259
 -0.308841711390
 -0.131499504850
 -0.018116400668
 -0.000408900015
 -0.000106000004
 -0.000009200000
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Bk.AE.Paulovic.35s26p18d13f.7s5p4d2f.97e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        328.92027e10
        308.999640e9
48207415000.00000000
 9936340600.00000000
 2463913700.00000000
  718162640.00000000
  241120930.00000000
   86786178.00000000
   30999086.00000000
   10788793.00000000
    3731439.40000000
    1313180.60000000
     479496.33000000
     184415.39000000
      75241.16200000
      32745.81400000
      15119.20300000
       7260.61930000
       3577.89520000
       1802.88650000
        922.83438000
        472.24438000
        243.03673000
        121.36865000
         70.36271700
         39.24197100
         21.30763300
         12.02925900
          6.45346540
          3.30253150
          1.32080830
          0.76137158
          0.32053513
        805.33533e-4
        305.87145e-4
  0.000002900000 -0.000001300000  0.000000600000  0.000000300000 -0.000000200000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000011300000 -0.000004900000  0.000002400000  0.000001300000 -0.000000600000  0.000000300000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000031800000 -0.000013800000  0.000006800000  0.000003600000 -0.000001800000  0.000000800000  0.000000200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000076800000 -0.000033200000  0.000016300000  0.000008600000 -0.000004400000  0.000002000000  0.000000600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000165700000 -0.000071400000  0.000035100000  0.000018400000 -0.000009400000  0.000004200000  0.000001200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000316900000 -0.000136200000  0.000067000000  0.000035200000 -0.000017900000  0.000008000000  0.000002300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000564000000 -0.000242100000  0.000119000000  0.000062500000 -0.000031800000  0.000014200000  0.000004000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001037900000 -0.000445000000  0.000218600000  0.000114800000 -0.000058400000  0.000026100000  0.000007400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002007000000 -0.000859800000  0.000422400000  0.000221800000 -0.000112800000  0.000050400000  0.000014200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003897200000 -0.001669700000  0.000820400000  0.000430700000 -0.000219100000  0.000098000000  0.000027700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.007400500000 -0.003175400000  0.001560800000  0.000819400000 -0.000416900000  0.000186400000  0.000052600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.013617800000 -0.005865800000  0.002885200000  0.001515000000 -0.000770900000  0.000344700000  0.000097400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.024077700000 -0.010448100000  0.005146200000  0.002703200000 -0.001375600000  0.000615100000  0.000173700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.040825300000 -0.017941400000  0.008856600000  0.004654600000 -0.002369000000  0.001059400000  0.000299200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.066220300000 -0.029686400000  0.014708500000  0.007738100000 -0.003939300000  0.001761500000  0.000497500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.101951500000 -0.047117400000  0.023470600000  0.012362700000 -0.006296400000  0.002816500000  0.000795600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.150431600000 -0.072653200000  0.036499300000  0.019274200000 -0.009821700000  0.004391900000  0.001240300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.210221500000 -0.108349000000  0.055087000000  0.029160800000 -0.014873700000  0.006657900000  0.001880900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.256001900000 -0.143193700000  0.074061900000  0.039430800000 -0.020136500000  0.009004200000  0.002543100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.234753900000 -0.134148600000  0.069131300000  0.036638600000 -0.018699100000  0.008384600000  0.002368300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.125400500000  0.012003800000 -0.023142200000 -0.014871900000  0.007995000000 -0.003661200000 -0.001033700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.023548800000  0.341605200000 -0.290644500000 -0.176526000000  0.093529500000 -0.042173800000 -0.011940400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000446600000  0.526425000000 -0.557194500000 -0.359136000000  0.193769200000 -0.088120300000 -0.024919200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000026000000  0.237244500000 -0.167252000000 -0.104379700000  0.056941400000 -0.025433200000 -0.007300200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000009800000 -0.006086200000  0.681412100000  0.762137800000 -0.484986300000  0.228405600000  0.065323200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000049400000  0.015347500000  0.587336000000  0.844550500000 -0.567746500000  0.275555200000  0.078334300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000045700000 -0.008998800000  0.127357400000 -0.380543400000  0.367234000000 -0.193747900000 -0.055215800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000026300000  0.005237500000 -0.004724100000 -0.982797400000  1.350127500000 -0.793406300000 -0.235648000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000015200000 -0.002624700000  0.004104500000 -0.249322700000  0.061842200000  0.024596200000  0.011806300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000007400000  0.001134600000 -0.001845800000 -0.003487400000 -1.294173600000  1.257533100000  0.402847200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000003600000 -0.000571500000  0.000819700000 -0.001852500000 -0.329882700000  0.340155800000  0.129601000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000002100000  0.000344700000 -0.000494100000  0.000933300000  0.077074900000 -1.130163700000 -0.517211400000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000000600000 -0.000085800000  0.000127400000 -0.000165400000 -0.016089400000 -0.466866500000 -0.366564500000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000000100000  0.000020900000 -0.000030900000  0.000044100000  0.003566000000 -0.003615600000  0.677406200000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000000000 -0.000007500000  0.000011100000 -0.000018900000 -0.001287400000 -0.000523900000  0.563500100000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  497669330.00000000
   69915323.00000000
   14087366.00000000
    3477698.00000000
     995698.96000000
     319983.83000000
     112635.40000000
      42923.41300000
      17537.00500000
       7596.02520000
       3461.18600000
       1652.68640000
        823.53396000
        426.24286000
        227.26215000
        123.46845000
         68.72021800
         38.42982100
         21.10406200
         11.81751500
          6.45328890
          3.49480930
          1.82268460
          0.82754257
          0.37852822
          0.15436163
  0.000008600000 -0.000004600000 -0.000002400000 -0.000001200000  0.000000500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000027100000 -0.000014400000 -0.000007600000 -0.000003800000  0.000001500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000073700000 -0.000039400000 -0.000020800000 -0.000010300000  0.000004100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000183500000 -0.000098100000 -0.000051900000 -0.000025600000  0.000010100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000431300000 -0.000231100000 -0.000122400000 -0.000060400000  0.000023900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000989500000 -0.000531800000 -0.000281900000 -0.000139100000  0.000055000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002261200000 -0.001220600000 -0.000647700000 -0.000319900000  0.000126600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005178000000 -0.002811400000 -0.001494100000 -0.000737900000  0.000291900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.011987100000 -0.006564500000 -0.003496100000 -0.001728200000  0.000684400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.027973000000 -0.015507900000 -0.008285300000 -0.004097500000  0.001620900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.064054500000 -0.036209900000 -0.019442100000 -0.009632500000  0.003817900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.135732200000 -0.078958300000 -0.042720100000 -0.021196400000  0.008387100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.243943800000 -0.147457600000 -0.080613600000 -0.040144700000  0.015943700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.327903100000 -0.202202700000 -0.111145000000 -0.055343500000  0.021869000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.273738900000 -0.114946700000 -0.051127400000 -0.023844600000  0.009483000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.109106900000  0.206303900000  0.182243200000  0.102268800000 -0.042070300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.012741300000  0.498626500000  0.448990600000  0.254193400000 -0.102820300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000934400000  0.354705900000  0.217519700000  0.101577900000 -0.041254300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000510900000  0.080537100000 -0.444905500000 -0.379159300000  0.173075000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000221300000  0.002166300000 -0.613321000000 -0.594872600000  0.268876100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000149100000  0.000834400000 -0.192779700000  0.144457400000 -0.109089900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000091300000 -0.000512600000 -0.009950800000  0.733565600000 -0.505834100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000036200000  0.000135300000 -0.001520900000  0.374490600000 -0.182544100000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000014900000 -0.000059400000  0.000434800000  0.036774800000  0.523627100000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000005900000  0.000023500000 -0.000143600000 -0.000832600000  0.582753300000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000001500000 -0.000005900000  0.000032500000  0.000196500000  0.134811200000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      45059.76200000
      11182.07000000
       3725.88420000
       1473.59420000
        653.58776000
        315.01255000
        162.40470000
         88.90663700
         51.47744500
         30.56767200
         17.37299400
          9.64881750
          5.12389380
          2.63237000
          1.26623720
          0.49650708
          0.18244067
        604.30199e-4
  0.000099100000  0.000056800000  0.000026100000 -0.000006300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000636400000  0.000365200000  0.000168200000 -0.000040500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003366400000  0.001943700000  0.000895500000 -0.000214700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.014828800000  0.008613600000  0.003978000000 -0.000957900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.052734500000  0.031059900000  0.014377900000 -0.003448700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.143563200000  0.085983700000  0.040012900000 -0.009654200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.273671300000  0.164328400000  0.076374400000 -0.018284900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.339027600000  0.187846000000  0.085687400000 -0.020793700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.251249000000  0.056899900000  0.010571100000 -0.001300800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.114360100000 -0.212292300000 -0.138499500000  0.033943600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.023002800000 -0.460595300000 -0.294443600000  0.076100300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000512500000 -0.359709400000 -0.138994500000  0.027032700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000253300000 -0.094273200000  0.356914900000 -0.108860200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000146900000 -0.003715700000  0.550189400000 -0.179863700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000030400000 -0.000608600000  0.260411400000  0.019845900000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000015900000  0.000181100000  0.027612300000  0.358952700000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000004400000 -0.000061700000 -0.001523300000  0.517826800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000001800000  0.000021500000  0.000389600000  0.329566000000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2112.06940000
        713.21228000
        304.06689000
        146.84618000
         75.21075500
         39.84743300
         21.23829400
         11.24708400
          5.78972640
          2.82420640
          1.31385840
          0.57146932
          0.22045794
 -0.000259000000 -0.000092400000  0.000000000000  0.000000000000
 -0.002293000000 -0.000816100000  0.000000000000  0.000000000000
 -0.012752300000 -0.004568800000  0.000000000000  0.000000000000
 -0.048202900000 -0.017262000000  0.000000000000  0.000000000000
 -0.133454300000 -0.048153400000  0.000000000000  0.000000000000
 -0.263668100000 -0.092528800000  0.000000000000  0.000000000000
 -0.359529300000 -0.114644200000  0.000000000000  0.000000000000
 -0.308841800000 -0.046277000000  0.000000000000  0.000000000000
 -0.131499500000  0.170287400000  0.000000000000  0.000000000000
 -0.018116400000  0.381460100000  0.000000000000  0.000000000000
 -0.000408900000  0.396781000000  0.000000000000  0.000000000000
 -0.000106000000  0.251067900000  1.000000000000  0.000000000000
 -0.000009200000  0.082232200000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Cf.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.30el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
CALIFORNIUM (14s,10p,12d,9f) -> [2s,1p,2d,1f]
********************************************************************************
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on CfQR(7K)
********************************************************************************
    30.0   3
* s-type functions
   14    2
   11484086.12000000
    1041421.89900000
     145302.97430000
      24190.66094000
       4537.90075100
        328.56770420
         54.80320760
         13.31727138
      40345.66229e-4
      28452.80473e-4
       7195.29298e-4
       3351.01958e-4
        847.20583e-4
        340.30499e-4
  0.000232518010 -0.000065538095
  0.000841532850 -0.000237201550
  0.002524787600 -0.000711635690
  0.007655134600 -0.002157942400
  0.018436346000 -0.005196418600
 -0.118522190000  0.033473542000
  0.394790530000 -0.112493570000
 -0.896929970000  0.263387120000
  0.534777090000 -0.174265400000
  0.870847540000 -0.282832910000
 -0.963034210000  0.458809480000
 -0.428667140000  0.336357360000
 -0.011335044000 -0.622172960000
  0.002106083500 -0.606987270000
* p-type functions
   10    1
      10963.63403000
       2111.71467700
        583.88435080
         78.15944540
         15.53984448
      42934.65223e-4
      29429.61754e-4
       7084.43918e-4
       3194.42944e-4
          0.12767759
  0.002536956200
  0.012659706000
  0.035345225000
 -0.140980360000
  0.353934060000
 -0.288399130000
 -0.385480830000
  0.630242800000
  0.470008580000
  0.072989848000
* d-type functions
   12    2
       1209.16893300
        338.06827450
        121.73911010
         23.07595771
         12.02820022
      51714.35787e-4
      27205.92368e-4
      13503.99297e-4
       6145.05957e-4
       2579.83782e-4
       1000.55608e-4
          0.03611725
  0.010258117000 -0.002258296400
  0.060447271000 -0.013425860000
  0.140316060000 -0.030711272000
 -0.312709060000  0.074681019000
 -0.223675550000  0.046071109000
  0.353710230000 -0.105157370000
  0.533996970000 -0.151884890000
  0.254187100000 -0.007797603500
  0.034968145000  0.238493090000
  0.000741797990  0.423292680000
  0.000217111870  0.417874510000
 -0.000031471906  0.171169740000
* f-type functions
    9    1
        362.55812240
        121.54508970
         49.38398285
         21.48984656
      46716.21674e-4
      22257.22257e-4
      10402.24594e-4
       4638.86791e-4
       1865.18254e-4
 -0.005573291900
 -0.036531709000
 -0.110795690000
 -0.151276470000
  0.279563590000
  0.409742230000
  0.337022510000
  0.179159820000
  0.047372252000
********************************************************************************
* Core AIMP:Cf DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  8.1029097000e5  2.2723198600e5  8.6696126900e4  3.5315489300e4  1.5023678700e4  6.5464673100e3  2.8666171000e3  1.3300520700e3  6.6989128900e2  2.5791712400e2  1.3850823900e2
 28.662893900000 15.025244500000  6.357207700000  3.378354980000
  0.027483667333  0.018283966054  0.026525771916  0.037247813660  0.048706764934  0.059956912623  0.083956641471  0.141596735207  0.148360628058  0.145607591388  0.429334894569
  0.644236725666  0.179586174564  0.237403632937  0.038378746288
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  1.0010592800e4  1.9315404400e3  5.0408290000e2  1.3660888000e2 32.283236000000
        328.92027e10
        308.969460e9
48169758000.00000000
 9936159100.00000000
 2463913700.00000000
  718162640.00000000
  241120930.00000000
   86786178.00000000
   30999086.00000000
   10789847.00000000
    3732897.30000000
    1313180.70000000
     479496.33000000
     184415.39000000
      75241.16200000
      32745.81400000
      15119.15600000
       7260.64150000
       3577.89390000
       1802.88520000
        922.83438000
        472.24439000
        243.03673000
        121.36865000
         70.36271700
         39.24197300
         21.30763300
         12.02925900
          6.45346540
          3.30252900
          1.32080830
          0.76137100
          0.32053513
        805.33502e-4
        305.87168e-4
  0.000003200000 -0.000001400000  0.000000700000  0.000000400000 -0.000000200000
  0.000012400000 -0.000005400000  0.000002700000  0.000001400000 -0.000000700000
  0.000034600001 -0.000015100000  0.000007400000  0.000003900000 -0.000002000000
  0.000083200003 -0.000036199999  0.000017800000  0.000009400000 -0.000004800000
  0.000178600007 -0.000077399999  0.000038099999  0.000020100000 -0.000010200000
  0.000340100013 -0.000147099997  0.000072399999  0.000038100000 -0.000019500001
  0.000603200024 -0.000260499995  0.000128199998  0.000067400000 -0.000034400001
  0.001105800044 -0.000476899991  0.000234599997  0.000123400000 -0.000063100002
  0.002130900085 -0.000918399983  0.000451699994  0.000237600000 -0.000121400003
  0.004119100163 -0.001775399967  0.000873399987  0.000459399999 -0.000234700006
  0.007793400309 -0.003364099938  0.001655499976  0.000870899999 -0.000444900012
  0.014286100567 -0.006190899886  0.003048599956  0.001603999998 -0.000819500021
  0.025139700997 -0.010975599798  0.005412399922  0.002848699996 -0.001455600038
  0.042435501683 -0.018765399655  0.009274399867  0.004884099993 -0.002496100065
  0.068477202716 -0.030896099431  0.015327499780  0.008080099988 -0.004130500108
  0.104831004157 -0.048772299102  0.024325899652  0.012839799981 -0.006566400172
  0.153626106092 -0.074708798625  0.037588399462  0.019890199971 -0.010178200267
  0.212822108440 -0.110417297968  0.056207599195  0.029817699957 -0.015271400400
  0.256004410152 -0.143743397355  0.074434498934  0.039703799942 -0.020362000533
  0.230479209140 -0.129680297614  0.066397199049  0.035193499949 -0.018020600472
  0.119532104740  0.025378799533 -0.032444599535 -0.020305799971  0.010873500285
  0.021294000844  0.357612593419 -0.307550395595 -0.187642999728  0.099951902617
  0.000407300016  0.519659990437 -0.554747792054 -0.359649799478  0.195115205109
 -0.000035700001  0.220309795946 -0.123212398235 -0.068300999901  0.036230300949
  0.000042400002 -0.007066699870  0.701504289952  0.799626398840 -0.514036013460
 -0.000082800003  0.013810999746  0.561679991955  0.807210198829 -0.546179014302
  0.000068800003 -0.008060699852  0.110755998414 -0.460666599332  0.448217511737
 -0.000041000002  0.004650499914 -0.003817299945 -0.956118598613  1.363619135707
  0.000022400001 -0.002318799957  0.003205899954 -0.216451999686 -0.083452702185
 -0.000010500000  0.001001199982 -0.001470099979 -0.002706199996 -1.260229633000
  0.000005200000 -0.000503499991  0.000637699991 -0.001408999998 -0.283943807435
 -0.000003100000  0.000303499994 -0.000383299995  0.000667799999  0.064816701697
  0.000000800000 -0.000075499999  0.000098799999 -0.000106400000 -0.013376900350
 -0.000000200000  0.000018400000 -0.000023600000  0.000028700000  0.002904100076
  0.000000100000 -0.000006700000  0.000008600000 -0.000010200000 -0.001042000027
   26    4
  1.5782680400e3  4.0622454000e2  1.0420472000e2 21.782332000000
  495751680.00000000
   69639169.00000000
   14029526.00000000
    3462831.10000000
     992012.77000000
     319189.27000000
     112496.16000000
      42912.49400000
      17541.81500000
       7597.76880000
       3461.18600000
       1652.41620000
        823.38063000
        426.22371000
        227.23604000
        123.41102000
         68.74408200
         38.44034300
         21.10831000
         11.84414200
          6.46812440
          3.49929030
          1.82204430
          0.83093956
          0.37613038
          0.15435246
  0.000009100000 -0.000004900000 -0.000002600000 -0.000001300000
  0.000028799999 -0.000015400000 -0.000008200001 -0.000004000000
  0.000078399997 -0.000041899999 -0.000022300002 -0.000011000000
  0.000194599991 -0.000104299998 -0.000055400006 -0.000027400000
  0.000456199980 -0.000244899996 -0.000130100014 -0.000064500000
  0.001043099953 -0.000561799990 -0.000298600032 -0.000148000000
  0.002376499894 -0.001285599977 -0.000684200074 -0.000339200000
  0.005424899758 -0.002952199946 -0.001573300170 -0.000780200001
  0.012522199441 -0.006874199875 -0.003671800397 -0.001822500002
  0.029131598701 -0.016193299705 -0.008676800937 -0.004308300005
  0.066411997038 -0.037653499314 -0.020279802191 -0.010090300013
  0.139795993765 -0.081581698514 -0.044275704784 -0.022056000028
  0.248742088905 -0.150820097253 -0.082722108938 -0.041379000052
  0.329106185320 -0.202694496308 -0.111575112055 -0.055733900070
  0.268139288040 -0.105545698078 -0.044713804831 -0.020583000026
  0.102741295417  0.224319295914  0.197613421351  0.111569300140
  0.011137799503  0.502024390856  0.454398249095  0.258153000324
  0.000873499961  0.340486293799  0.191144320652  0.084951600107
 -0.000508499977  0.072682998676 -0.474079451221 -0.409425000514
  0.000221999990  0.001710199969 -0.598426764656 -0.583171700732
 -0.000144399994  0.000678599988 -0.175269318937  0.200358100251
  0.000088099996 -0.000439999992 -0.007934100857  0.732922700920
 -0.000035099998  0.000107799998 -0.001452800157  0.344224300432
  0.000014399999 -0.000048299999  0.000405900044  0.032426000041
 -0.000005600000  0.000018600000 -0.000137000015 -0.000296400000
  0.000001400000 -0.000004900000  0.000030600003  0.000141500000
   18    2
  3.2328822000e2 72.408358000000
      40561.83200000
      10077.65800000
       3459.06950000
       1410.59260000
        643.14555000
        317.26435000
        165.53876000
         89.74490400
         49.96041800
         28.28653000
         16.30697400
          9.73758190
          6.18268850
          3.82552030
          2.35073060
          1.39067150
          0.75756491
          0.32775210
  0.000123699999  0.000071200002
  0.000782799995  0.000451700010
  0.003907199975  0.002265600050
  0.016223799895  0.009479000208
  0.054543199646  0.032271300707
  0.143041299071  0.086163601888
  0.273837698221  0.164809403611
  0.353887597701  0.196520604306
  0.261410698302  0.034292900751
  0.094992299383 -0.275889606045
  0.013679899911 -0.439113709622
  0.000717599995 -0.282448406189
  0.000107299999 -0.097037702126
 -0.000103199999 -0.022703400497
  0.000013700000 -0.000217500005
 -0.000027600000 -0.000648800014
  0.000000900000  0.000129400003
 -0.000002200000 -0.000029300001
   13    1
 40.719308000000
       2069.96330000
        705.21611000
        304.24182000
        146.85433000
         75.14715600
         39.89830800
         21.27824900
         11.28789400
          5.83177410
          2.84603800
          1.30757350
          0.55123261
          0.20257310
 -0.000291700020
 -0.002477800167
 -0.013487500909
 -0.051119003446
 -0.139373209395
 -0.270197718215
 -0.362287824423
 -0.300144820234
 -0.121802608211
 -0.015868501070
 -0.000438600030
 -0.000156300011
 -0.000034400002
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Cf.AE.Paulovic.35s26p18d13f.7s5p4d2f.98e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        328.92027e10
        308.984550e9
48169758000.00000000
 9943924800.00000000
 2467766600.00000000
  718162640.00000000
  241120930.00000000
   86786178.00000000
   30999086.00000000
   10789715.00000000
    3732168.30000000
    1313052.50000000
     479510.75000000
     184424.39000000
      75239.32500000
      32746.28300000
      15119.20200000
       7260.55290000
       3577.88840000
       1802.88520000
        922.83438000
        472.24439000
        243.03673000
        121.36865000
         70.36271700
         39.24197300
         21.30763300
         12.02925000
          6.45346540
          3.30252900
          1.32080830
          0.76137096
          0.32053513
        805.33489e-4
        305.87134e-4
  0.000003200000 -0.000001400000  0.000000700000  0.000000400000 -0.000000200000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000012400000 -0.000005400000  0.000002700000  0.000001400000 -0.000000700000  0.000000300000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000034600000 -0.000015100000  0.000007400000  0.000003900000 -0.000002000000  0.000000900000  0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000083100000 -0.000036100000  0.000017800000  0.000009400000 -0.000004800000  0.000002100000  0.000000600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000178600000 -0.000077400000  0.000038100000  0.000020100000 -0.000010300000  0.000004600000  0.000001300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000340500000 -0.000147300000  0.000072500000  0.000038100000 -0.000019500000  0.000008700000  0.000002500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000602900000 -0.000260400000  0.000128100000  0.000067400000 -0.000034500000  0.000015400000  0.000004300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001106000000 -0.000477000000  0.000234700000  0.000123400000 -0.000063100000  0.000028300000  0.000008000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002130500000 -0.000918200000  0.000451700000  0.000237600000 -0.000121500000  0.000054400000  0.000015300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004119900000 -0.001775800000  0.000873600000  0.000459500000 -0.000234900000  0.000105200000  0.000029700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.007794700000 -0.003364700000  0.001655700000  0.000871000000 -0.000445300000  0.000199400000  0.000056200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.014284700000 -0.006190200000  0.003048300000  0.001603900000 -0.000819900000  0.000367300000  0.000103500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.025137000000 -0.010974400000  0.005411800000  0.002848500000 -0.001456400000  0.000652400000  0.000183900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.042436900000 -0.018765900000  0.009274700000  0.004884500000 -0.002497700000  0.001118900000  0.000315300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.068480300000 -0.030897400000  0.015328100000  0.008080800000 -0.004133200000  0.001851600000  0.000521800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.104823500000 -0.048768600000  0.024324100000  0.012839500000 -0.006569900000  0.002943900000  0.000829600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.153635600000 -0.074712900000  0.037590400000  0.019892200000 -0.010184900000  0.004563300000  0.001286300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.212818100000 -0.110415000000  0.056206500000  0.029818600000 -0.015280300000  0.006850400000  0.001930100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.256005000000 -0.143742600000  0.074433800000  0.039705200000 -0.020374200000  0.009131600000  0.002576100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.230476500000 -0.129678500000  0.066396800000  0.035195200000 -0.018031200000  0.008088400000  0.002273300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.119535000000  0.025376500000 -0.032443600000 -0.020307000000  0.010879300000 -0.004945500000 -0.001379900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.021291900000  0.357608600000 -0.307542000000 -0.187645400000  0.100010500000 -0.045251500000 -0.012815500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000409200000  0.519654000000 -0.554743300000 -0.359667100000  0.195230700000 -0.088874200000 -0.025010100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000037700000  0.220322000000 -0.123249500000 -0.068343800000  0.036288100000 -0.016222600000 -0.004868400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000044300000 -0.007068200000  0.701525800000  0.799714200000 -0.514416100000  0.243880100000  0.070026600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000084300000  0.013812700000  0.561673900000  0.807343200000 -0.546544300000  0.265321200000  0.074502700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000069800000 -0.008062900000  0.110769100000 -0.461052200000  0.448689900000 -0.236505900000 -0.066140700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000041700000  0.004651400000 -0.003822900000 -0.955842100000  1.364344900000 -0.815032800000 -0.244092300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000022800000 -0.002319100000  0.003207100000 -0.216497700000 -0.082697100000  0.141396000000  0.050780500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000010700000  0.001001500000 -0.001473600000 -0.002720200000 -1.263666300000  1.243688200000  0.394721800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000005300000 -0.000503700000  0.000639900000 -0.001389900000 -0.281674600000  0.229441900000  0.098457800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000003200000  0.000303600000 -0.000383900000  0.000669000000  0.064947300000 -1.108562900000 -0.529115500000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000000800000 -0.000075400000  0.000099500000 -0.000105800000 -0.013252300000 -0.428863700000 -0.334150100000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000000200000  0.000018500000 -0.000023900000  0.000028400000  0.002879000000 -0.000010200000  0.719284100000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000100000 -0.000006800000  0.000008200000 -0.000008500000 -0.001023000000 -0.001438500000  0.519362100000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  498937260.00000000
   70092142.00000000
   14130334.00000000
    3491145.90000000
     997440.00000000
     319499.96000000
     112623.75000000
      42940.75500000
      17533.37900000
       7596.21750000
       3461.10200000
       1652.81870000
        823.55159000
        426.29643000
        227.28495000
        123.38511000
         68.75785000
         38.45505000
         21.08291800
         11.81653900
          6.46660290
          3.48962420
          1.81820420
          0.83414024
          0.37741286
          0.15531248
  0.000009100000 -0.000004800000 -0.000002600000 -0.000001300000  0.000000500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000028700000 -0.000015300000 -0.000008100000 -0.000004000000  0.000001600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000077900000 -0.000041700000 -0.000022100000 -0.000011000000  0.000004300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000193400000 -0.000103600000 -0.000055000000 -0.000027300000  0.000010800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000456100000 -0.000244900000 -0.000130100000 -0.000064500000  0.000025500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001044300000 -0.000562400000 -0.000299000000 -0.000148300000  0.000058600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002372100000 -0.001283200000 -0.000682900000 -0.000339000000  0.000134000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005430600000 -0.002955300000 -0.001575000000 -0.000781900000  0.000309000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.012531600000 -0.006879200000 -0.003674600000 -0.001826000000  0.000722200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.029126800000 -0.016191000000 -0.008676000000 -0.004313000000  0.001704500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.066394100000 -0.037642200000 -0.020274600000 -0.010099200000  0.003997500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.139727200000 -0.081543700000 -0.044257000000 -0.022073000000  0.008726800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.248752200000 -0.150814400000 -0.082721700000 -0.041424700000  0.016427500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.329051600000 -0.202691900000 -0.111581900000 -0.055808000000  0.022041600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.268234800000 -0.105551700000 -0.044713700000 -0.020592100000  0.008124500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.102817600000  0.224291600000  0.197621200000  0.111678800000 -0.045783300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.011067000000  0.501644500000  0.454114800000  0.258371100000 -0.104619900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000913700000  0.340860600000  0.191397000000  0.085051700000 -0.033863700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000533100000  0.072798300000 -0.476522000000 -0.411856700000  0.187507200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000238800000  0.001535200000 -0.597204900000 -0.583782500000  0.264714300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000154300000  0.000739100000 -0.173697900000  0.204580000000 -0.146527900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000093600000 -0.000470700000 -0.008487800000  0.736164600000 -0.507199500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000038000000  0.000123600000 -0.001164500000  0.340166400000 -0.147785800000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000015600000 -0.000053800000  0.000320200000  0.030751400000  0.548464800000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000006000000  0.000020800000 -0.000099600000 -0.000331500000  0.564017100000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000001500000 -0.000005400000  0.000021600000  0.000078400000  0.121811200000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      41517.97000000
      10302.68400000
       3480.07330000
       1417.37870000
        648.27795000
        318.43070000
        165.10590000
         89.88111400
         50.62442900
         28.82202400
         16.13891500
          8.91222880
          4.69369670
          2.40310580
          1.15137090
          0.44003599
          0.15781510
        517.71969e-4
  0.000118700000  0.000068300000  0.000031600000 -0.000007000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000765600000  0.000441500000  0.000204800000 -0.000045300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003901500000  0.002263400000  0.001050200000 -0.000231500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.016016200000  0.009353000000  0.004353000000 -0.000964600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.053822600000  0.031858100000  0.014851700000 -0.003275500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.143966800000  0.086658700000  0.040640800000 -0.009024300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.275398000000  0.165921300000  0.077630300000 -0.017091900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.348101600000  0.192973400000  0.088522700000 -0.019739800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.259772100000  0.040952400000 -0.000357500000  0.001319400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.100229100000 -0.271737800000 -0.175584700000  0.039766600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.014705300000 -0.478156800000 -0.307872100000  0.073202200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000358700000 -0.307295900000 -0.056139000000  0.002666800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000056300000 -0.063180300000  0.440050100000 -0.122189200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000074500000 -0.001300300000  0.513215400000 -0.151425300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000005300000 -0.000477300000  0.197239500000  0.063161400000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000006500000  0.000128800000  0.015810500000  0.372686100000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000001800000 -0.000046800000 -0.000715000000  0.507504500000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000500000  0.000014600000  0.000267600000  0.314919600000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2133.19220000
        718.53979000
        306.78101000
        148.18332000
         75.75884400
         39.92306700
         21.09916300
         11.12375900
          5.74761400
          2.84586690
          1.34271020
          0.58786559
          0.22732217
 -0.000273300000  0.000099600000  0.000000000000  0.000000000000
 -0.002413100000  0.000875900000  0.000000000000  0.000000000000
 -0.013309700000  0.004873700000  0.000000000000  0.000000000000
 -0.050145100000  0.018320700000  0.000000000000  0.000000000000
 -0.138803600000  0.051187700000  0.000000000000  0.000000000000
 -0.274054500000  0.097782700000  0.000000000000  0.000000000000
 -0.367337600000  0.118282700000  0.000000000000  0.000000000000
 -0.298117400000  0.034066800000  0.000000000000  0.000000000000
 -0.117335000000 -0.189731100000  0.000000000000  0.000000000000
 -0.015143900000 -0.382200300000  0.000000000000  0.000000000000
 -0.000510500000 -0.385861300000  0.000000000000  0.000000000000
 -0.000104600000 -0.241516000000  1.000000000000  0.000000000000
 -0.000029200000 -0.075887200000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Es.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.31el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
EINSTEINIUM (14s,10p,12d,9f) -> [2s,1p,2d,1f]
********************************************************************************
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on EsQR(6L)
********************************************************************************
    31.0   3
* s-type functions
   14    2
   12056415.95000000
    1025664.94100000
     141461.88420000
      24191.18720000
       4708.09487800
        340.42394670
         56.54163233
         13.80005366
      40334.15943e-4
          2.77151123
       7718.43964e-4
       3590.36644e-4
          0.08579213
          0.03219698
  0.000246071840 -0.000068808712
  0.000917448090 -0.000256550080
  0.002694489900 -0.000753447730
  0.007792825200 -0.002179361700
  0.018283127000 -0.005112336700
 -0.119006200000  0.033344250000
  0.398449290000 -0.112648300000
 -0.906835130000  0.264252750000
  0.736517600000 -0.238553490000
  0.690628900000 -0.221047920000
 -0.938531600000  0.430661840000
 -0.467534580000  0.364801540000
 -0.012381289000 -0.676323580000
  0.002300818100 -0.557670400000
* p-type functions
   10    1
      10967.20120000
       2163.14256300
        601.19954220
         80.30196262
         16.05058458
      42966.06725e-4
      28890.28449e-4
       7527.37757e-4
       3427.66313e-4
       1353.47874e-4
  0.002632964800
  0.012691871000
  0.035435468000
 -0.141839690000
  0.355600720000
 -0.361006470000
 -0.317522160000
  0.604210700000
  0.491840700000
  0.082852474000
* d-type functions
   12    2
       1262.24853800
        351.52107310
        126.07389460
         23.27269629
         11.61681255
      56339.42665e-4
      30042.13234e-4
      15131.77718e-4
       6262.53271e-4
       2534.05502e-4
        969.39451e-4
        384.02829e-4
  0.010110437000 -0.002177375500
  0.060138648000 -0.013073865000
  0.142090710000 -0.030420710000
 -0.335596780000  0.078317813000
 -0.221205450000  0.043804694000
  0.333421390000 -0.093133429000
  0.524645230000 -0.153745690000
  0.295367850000 -0.016748674000
  0.043728198000  0.247686470000
 -0.002407836900  0.435562320000
  0.001419024500  0.396425150000
 -0.000449517410  0.173224770000
* f-type functions
    9    1
        377.27427210
        126.44361930
         51.37607036
         22.37212565
      48774.90213e-4
      23330.30213e-4
      10967.43687e-4
       4925.69693e-4
       1989.21759e-4
 -0.005548817600
 -0.036618842000
 -0.112095680000
 -0.154452320000
  0.283867370000
  0.408392240000
  0.332814320000
  0.177872670000
  0.048281157000
********************************************************************************
* Core AIMP:Es DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  8.1967854000e5  2.3168902400e5  8.9007824400e4  3.6488132200e4  1.5587595000e4  6.7880678400e3  2.9683498700e3  1.3766275400e3  6.9268132200e2  2.6694287900e2  1.4275741600e2
 29.511938000000 15.358107200000  6.573555970000  3.495170790000
  0.026918827302  0.017722328426  0.025582866999  0.035767599194  0.046847701566  0.057986252224  0.081109703621  0.136568957819  0.144012692499  0.139946024827  0.416972307266
  0.627879965913  0.170553397719  0.229283102405  0.036396659318
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  1.0270028200e4  1.9894451400e3  5.2059330000e2  1.4172016000e2 33.611322000000
        328.92005e10
        308.969460e9
48150946000.00000000
 9878113100.00000000
 2448562300.00000000
  718162640.00000000
  241168030.00000000
   86850899.00000000
   31059691.00000000
   10819383.00000000
    3737274.40000000
    1312667.80000000
     479496.33000000
     184415.39000000
      75248.51100000
      32746.78100000
      15119.49200000
       7260.55290000
       3577.89390000
       1802.88520000
        922.83438000
        472.24439000
        243.03673000
        121.36865000
         70.36271700
         39.24197700
         21.30763300
         12.02925900
          6.45346540
          3.30252900
          1.32080830
          0.76137109
          0.32053525
        805.33471e-4
        305.86724e-4
  0.000003600000 -0.000001600000  0.000000800000  0.000000400000 -0.000000200000
  0.000013600001 -0.000006000000  0.000003000000  0.000001600000 -0.000000800000
  0.000037900004 -0.000016600001  0.000008199999  0.000004300000 -0.000002200000
  0.000090900009 -0.000039800002  0.000019599999  0.000010300001 -0.000005300000
  0.000192800020 -0.000084100005  0.000041499997  0.000021900001 -0.000011200000
  0.000364100037 -0.000158500009  0.000078099994  0.000041200002 -0.000021100000
  0.000645900066 -0.000280700015  0.000138199990  0.000072900004 -0.000037400000
  0.001176500120 -0.000510600027  0.000251399982  0.000132500007 -0.000068000000
  0.002257300231 -0.000978800053  0.000481999965  0.000254100014 -0.000130400001
  0.004350300444 -0.001886500101  0.000929099933  0.000489700026 -0.000251300001
  0.008220800840 -0.003570300192  0.001758899874  0.000927100050 -0.000475800003
  0.014990701531 -0.006536000351  0.003222099769  0.001698700092 -0.000871800005
  0.026237202680 -0.011525600620  0.005690099592  0.003000900162 -0.001540200009
  0.044102504505 -0.019625301055  0.009710599304  0.005124100277 -0.002630500016
  0.070776907229 -0.032140801728  0.015964798856  0.008433100455 -0.004330300026
  0.107762811007 -0.050472202714  0.025204798194  0.013331100720 -0.006848400040
  0.156794316016 -0.076772904129  0.038683297229  0.020511501108 -0.010543200062
  0.215334821995 -0.112442906047  0.057304095895  0.030463201645 -0.015672700093
  0.255762726125 -0.144061407747  0.074672894650  0.039904402155 -0.020555300122
  0.226058823091 -0.124802806712  0.063376595460  0.033576401813 -0.017259100102
  0.113755211619  0.039181002107 -0.042176896978 -0.026027801406  0.013953200082
  0.019229101964  0.372972220058 -0.324295776767 -0.198784310736  0.106451400629
  0.000363800037  0.511726627520 -0.550345260572 -0.358804419378  0.195878901158
 -0.000075000008  0.203829310962 -0.077735094431 -0.030003501620  0.013579000080
  0.000073300007 -0.007654000412  0.718019248560  0.834354445062 -0.541432603201
 -0.000100500010  0.012317400662  0.535368461645  0.765175141326 -0.521944603086
  0.000080800008 -0.007141700384  0.095492493159 -0.538582929088  0.533970003157
 -0.000048600005  0.004078200219 -0.002789699800 -0.923870749897  1.362790908057
  0.000026000003 -0.002021500109  0.002337599833 -0.186650210081 -0.223704601323
 -0.000012000001  0.000872100047 -0.001107599921 -0.002251600122 -1.221729207223
  0.000006000001 -0.000437700024  0.000462099967 -0.000994000054 -0.240971101425
 -0.000003600000  0.000263600014 -0.000275799980  0.000436800024  0.053897200319
  0.000000900000 -0.000065500004  0.000071699995 -0.000053800003 -0.010850600064
 -0.000000200000  0.000016000001 -0.000016999999  0.000015300001  0.002319000014
  0.000000100000 -0.000005800000  0.000006200000 -0.000005300000 -0.000829600005
   26    4
  1.6185744600e3  4.1813164000e2  1.0782241000e2 22.603784000000
  494030950.00000000
   69362480.00000000
   13970464.00000000
    3447261.30000000
     988270.04000000
     318381.15000000
     112357.89000000
      42905.63400000
      17547.52200000
       7599.27030000
       3461.02810000
       1652.25940000
        823.15542000
        426.25021000
        227.28433000
        123.33594000
         68.74966800
         38.43162200
         21.11802500
         11.86650000
          6.48499220
          3.50011690
          1.82136400
          0.83230610
          0.37624914
          0.15437331
  0.000009700000 -0.000005200000 -0.000002800000 -0.000001400000
  0.000030599998 -0.000016400001 -0.000008700000 -0.000004300000
  0.000083299996 -0.000044600003 -0.000023799999 -0.000011800000
  0.000206399990 -0.000110800008 -0.000058999998 -0.000029399999
  0.000482299976 -0.000259500019 -0.000138199995 -0.000068799998
  0.001099399944 -0.000593400043 -0.000316299988 -0.000157499995
  0.002496499874 -0.001353400098 -0.000722299973 -0.000359899989
  0.005681099713 -0.003098700225 -0.001655999937 -0.000825199975
  0.013075699339 -0.007195200522 -0.003854299854 -0.001922799942
  0.030331498466 -0.016905401226 -0.009084699656 -0.004532999864
  0.068811096520 -0.039126602837 -0.021137999200 -0.010571199683
  0.143903792723 -0.084247106109 -0.045861798264 -0.022958799311
  0.253501387181 -0.154150611179 -0.084822896788 -0.042655498720
  0.329827383322 -0.202801114707 -0.111761595768 -0.056054298318
  0.262468586728 -0.095702806940 -0.037940498563 -0.017099699487
  0.096687995111  0.242294017571  0.213300891924  0.121258996361
  0.009650399512  0.504393136578  0.458465282641  0.261580592150
  0.000835799958  0.326078223647  0.163798393798  0.067378897978
 -0.000513499974  0.065152604725 -0.502386280979 -0.440284186787
  0.000226799989  0.001499900109 -0.581578177980 -0.568422082941
 -0.000142099993  0.000451700033 -0.158672893992  0.256443592304
  0.000086199996 -0.000330400024 -0.006470199755  0.730555978075
 -0.000034699998  0.000064700005 -0.001278399952  0.313888690580
  0.000014099999 -0.000030500002  0.000356799986  0.027476399175
 -0.000005500000  0.000011600001 -0.000119999995 -0.000130699996
  0.000001400000 -0.000003100000  0.000026299999  0.000089499997
   18    2
  3.3264520000e2 75.053256000000
      39167.53700000
       9783.31220000
       3387.70390000
       1395.59860000
        639.24636000
        315.36976000
        164.60002000
         89.54705000
         49.99318600
         28.17564900
         15.97347900
          9.12346530
          5.36500540
          3.54618260
          2.46891320
          1.39461800
          0.70545945
          0.27965858
  0.000137599999  0.000079500002
  0.000862799995  0.000500000015
  0.004216899978  0.002457000074
  0.017156699909  0.010069300302
  0.057279599697  0.034069801022
  0.149172599210  0.090269102708
  0.280086798517  0.169164405074
  0.352084398135  0.194017905820
  0.254408598653  0.021865000656
  0.089953199524 -0.298506308954
  0.011216799941 -0.462863013884
  0.000755699996 -0.276685208299
 -0.000295999998 -0.062938401888
  0.000228199999 -0.009880800296
 -0.000164999999 -0.000503500015
  0.000022000000 -0.000467000014
 -0.000012500000  0.000061200002
  0.000000500000 -0.000018900001
   13    1
 42.652628000000
       2103.77210000
        706.69294000
        301.08295000
        145.67372000
         75.27166200
         40.17719200
         21.40608100
         11.31428500
          5.83320980
          2.86705610
          1.32978390
          0.56699566
          0.21033925
 -0.000303900000
 -0.002687499997
 -0.014775099985
 -0.054036099945
 -0.143257799855
 -0.275242999721
 -0.366477599628
 -0.293747699702
 -0.111550599887
 -0.013379599986
 -0.000549199999
 -0.000146400000
 -0.000057600000
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Es.AE.Paulovic.35s26p18d13f.7s5p4d2f.99e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        328.82497e10
        308.969460e9
48132141000.00000000
 9951942300.00000000
 2482266500.00000000
  723175440.00000000
  241283850.00000000
   86825829.00000000
   30992025.00000000
   10807654.00000000
    3734245.80000000
    1313012.50000000
     479702.95000000
     184487.44000000
      75248.51100000
      32746.38100000
      15119.49800000
       7260.60930000
       3577.89510000
       1802.88480000
        922.83508000
        472.24439000
        243.03673000
        121.36871000
         70.36270200
         39.24199200
         21.30762500
         12.02926400
          6.45346050
          3.30252900
          1.32080750
          0.76137167
          0.32053513
        805.33471e-4
        305.87283e-4
  0.000003600000 -0.000001600000  0.000000800000  0.000000400000 -0.000000200000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000013600000 -0.000006000000  0.000003000000  0.000001600000 -0.000000800000  0.000000400000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000037800000 -0.000016600000  0.000008200000  0.000004300000 -0.000002200000  0.000001000000  0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000089900000 -0.000039300000  0.000019400000  0.000010200000 -0.000005200000  0.000002400000  0.000000700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000191200000 -0.000083400000  0.000041100000  0.000021700000 -0.000011100000  0.000005000000  0.000001400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000365700000 -0.000159200000  0.000078400000  0.000041300000 -0.000021200000  0.000009500000  0.000002700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000646800000 -0.000281000000  0.000138400000  0.000073000000 -0.000037500000  0.000016800000  0.000004700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001179000000 -0.000511700000  0.000252000000  0.000132800000 -0.000068200000  0.000030600000  0.000008500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002260300000 -0.000980100000  0.000482700000  0.000254400000 -0.000130600000  0.000058600000  0.000016400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004350100000 -0.001886400000  0.000929000000  0.000489700000 -0.000251400000  0.000112800000  0.000031500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.008219700000 -0.003569800000  0.001758600000  0.000927000000 -0.000476000000  0.000213500000  0.000059700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.014976600000 -0.006529800000  0.003219100000  0.001697100000 -0.000871500000  0.000390900000  0.000109200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.026232900000 -0.011523600000  0.005689100000  0.003000500000 -0.001540900000  0.000691200000  0.000193100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.044100600000 -0.019624300000  0.009710100000  0.005124100000 -0.002631900000  0.001180600000  0.000329900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.070805000000 -0.032153200000  0.015971000000  0.008436700000 -0.004334500000  0.001944500000  0.000543400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.107741900000 -0.050462500000  0.025200000000  0.013329100000 -0.006851100000  0.003073800000  0.000858800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.156812300000 -0.076780700000  0.038687100000  0.020514400000 -0.010550500000  0.004734300000  0.001323500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.215313100000 -0.112432000000  0.057298700000  0.030461700000 -0.015680300000  0.007037500000  0.001965200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.255786900000 -0.144072800000  0.074678400000  0.039909000000 -0.020569300000  0.009236200000  0.002585700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.226036400000 -0.124790700000  0.063370900000  0.033575000000 -0.017266700000  0.007744000000  0.002152500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.113775700000  0.039168500000 -0.042170700000 -0.026026000000  0.013957500000 -0.006319700000 -0.001740800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.019211800000  0.372977800000 -0.324291900000 -0.198789300000  0.106517800000 -0.048332200000 -0.013596000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000378900000  0.511712400000 -0.550337900000 -0.358818100000  0.195983600000 -0.089267300000 -0.024851100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000090300000  0.203851300000 -0.077776000000 -0.030051100000  0.013648400000 -0.006018600000 -0.002122200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000088000000 -0.007665900000  0.718047100000  0.834459300000 -0.541882800000  0.258400800000  0.073901000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000111500000  0.012326900000  0.535357300000  0.765270900000 -0.522180900000  0.253380400000  0.069875400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000088600000 -0.007149800000  0.095510000000 -0.538939600000  0.534312800000 -0.282413600000 -0.077680600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000053600000  0.004082900000 -0.002798400000 -0.923587900000  1.363768300000 -0.827118900000 -0.247724300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000028600000 -0.002023900000  0.002339700000 -0.186718700000 -0.223395000000  0.258948600000  0.088877000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000013200000  0.000873300000 -0.001112200000 -0.002253700000 -1.224864900000  1.218170700000  0.380889800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000006600000 -0.000438300000  0.000464100000 -0.000981200000 -0.238622100000  0.121118000000  0.065845200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000003900000  0.000263800000 -0.000277100000  0.000441300000  0.053875700000 -1.079240600000 -0.531598500000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000001000000 -0.000065700000  0.000072100000 -0.000049600000 -0.010696600000 -0.394547600000 -0.301429100000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000000300000  0.000016000000 -0.000016800000  0.000014900000  0.002293000000  0.002706200000  0.743243800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000100000 -0.000005800000  0.000006400000 -0.000006700000 -0.000825200000 -0.002131200000  0.489785400000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  500218360.00000000
   70708514.00000000
   14273882.00000000
    3526721.00000000
    1004631.90000000
     319832.15000000
     112626.84000000
      42993.09200000
      17523.36400000
       7593.50440000
       3461.71030000
       1653.15880000
        824.16833000
        426.31008000
        226.95463000
        123.37580000
         68.82092500
         38.49706300
         21.04918600
         11.80463000
          6.44227980
          3.47137890
          1.80346330
          0.84119835
          0.38183898
          0.15791512
  0.000009600000 -0.000005100000 -0.000002700000 -0.000001400000  0.000000500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000030200000 -0.000016200000 -0.000008600000 -0.000004300000  0.000001700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000081900000 -0.000043900000 -0.000023400000 -0.000011600000  0.000004600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000203000000 -0.000109000000 -0.000058000000 -0.000028900000  0.000011400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000480800000 -0.000258700000 -0.000137800000 -0.000068700000  0.000027100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001103400000 -0.000595500000 -0.000317400000 -0.000158200000  0.000062400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002487500000 -0.001348600000 -0.000719700000 -0.000359000000  0.000141600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005689300000 -0.003103000000 -0.001658400000 -0.000827300000  0.000326300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.013119900000 -0.007220000000 -0.003867700000 -0.001931600000  0.000762400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.030292600000 -0.016882700000 -0.009073100000 -0.004532300000  0.001787700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.068778000000 -0.039111300000 -0.021129900000 -0.010579300000  0.004178900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.143665100000 -0.084093600000 -0.045781700000 -0.022944000000  0.009053600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.253258000000 -0.154025700000 -0.084750900000 -0.042668800000  0.016886100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.330815700000 -0.203304000000 -0.112053600000 -0.056260500000  0.022175400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.262362900000 -0.095613500000 -0.037801500000 -0.017049900000  0.006678800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.096088100000  0.242038200000  0.212773900000  0.121106400000 -0.049528900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.009996400000  0.503426400000  0.458271600000  0.261778100000 -0.105846000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000643300000  0.327237800000  0.163775900000  0.067458100000 -0.026289300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000382600000  0.065755800000 -0.506910500000 -0.445662100000  0.202945500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000141600000  0.000917100000 -0.579960800000 -0.566440800000  0.255944900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000091600000  0.000695200000 -0.155355400000  0.267099500000 -0.184322200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000059600000 -0.000458600000 -0.006213100000  0.733930300000 -0.506328200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000023300000  0.000126900000 -0.001190500000  0.304546800000 -0.107138300000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000009900000 -0.000055300000  0.000352700000  0.024859600000  0.558676000000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000003800000  0.000021100000 -0.000112300000  0.000262300000  0.547716100000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000001000000 -0.000005400000  0.000024500000 -0.000058600000  0.116874700000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      38328.96600000
       9739.41360000
       3408.62030000
       1429.66710000
        664.21321000
        328.02190000
        168.84447000
         89.86252000
         49.04841000
         27.16470200
         15.15026800
          8.42642520
          4.50958970
          2.32524520
          1.11755530
          0.42473773
          0.15105583
        495.29763e-4
  0.000140300000  0.000081100000  0.000037800000 -0.000008200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000862300000  0.000499700000  0.000233300000 -0.000050500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004105200000  0.002392100000  0.001118300000 -0.000241200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.016093400000  0.009442400000  0.004422000000 -0.000958500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.053198300000  0.031618200000  0.014853200000 -0.003204900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.143063300000  0.086496800000  0.040807500000 -0.008859900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.282732200000  0.170978600000  0.080674400000 -0.017393400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.365735800000  0.201573300000  0.092343800000 -0.020068800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.258207000000  0.013656100000 -0.016849600000  0.004941900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.083506000000 -0.327553100000 -0.212732700000  0.047417700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.009244600000 -0.473454800000 -0.301355600000  0.069891400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000311200000 -0.257576500000  0.014831000000 -0.015921500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000040800000 -0.046115500000  0.473346300000 -0.128055700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000040600000 -0.001032500000  0.481257300000 -0.136730500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000006500000 -0.000297000000  0.167466300000  0.085485300000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000002700000  0.000068200000  0.011886100000  0.382429400000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000400000 -0.000025400000 -0.000464800000  0.500936400000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000100000  0.000008100000  0.000183000000  0.302762900000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2104.36480000
        707.80996000
        301.98706000
        145.99852000
         75.22273500
         40.09816900
         21.38627300
         11.30607500
          5.81436780
          2.85869070
          1.33707210
          0.58590181
          0.22941360
 -0.000303500000  0.000112600000  0.000000000000  0.000000000000
 -0.002672900000  0.000987800000  0.000000000000  0.000000000000
 -0.014667900000  0.005468200000  0.000000000000  0.000000000000
 -0.053998000000  0.020088100000  0.000000000000  0.000000000000
 -0.143990200000  0.054068800000  0.000000000000  0.000000000000
 -0.275572600000  0.099747500000  0.000000000000  0.000000000000
 -0.365796700000  0.119140100000  0.000000000000  0.000000000000
 -0.294058900000  0.027937900000  0.000000000000  0.000000000000
 -0.111385100000 -0.206347900000  0.000000000000  0.000000000000
 -0.012930600000 -0.394372700000  0.000000000000  0.000000000000
 -0.000567600000 -0.378232400000  0.000000000000  0.000000000000
 -0.000075300000 -0.224455400000  1.000000000000  0.000000000000
 -0.000047400000 -0.068172100000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Fm.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.32el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
FERMIUM (14s,10p,12d,9f) -> [2s,1p,2d,1f]
********************************************************************************
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on FmQR(5L)
********************************************************************************
    32.0   3
* s-type functions
   14    2
   17374503.84000000
    1192634.37900000
     147076.24480000
      24186.52412000
       4804.18322100
        353.25018660
         58.27487758
         14.30096953
      40282.49105e-4
      26207.00532e-4
       7942.92342e-4
       3610.48227e-4
        843.32822e-4
        325.89983e-4
  0.000222286480 -0.000061653941
  0.000943150380 -0.000261599240
  0.002874733700 -0.000797333950
  0.008090611700 -0.002244308300
  0.018097917000 -0.005019425900
 -0.119357660000  0.033169580000
  0.402004580000 -0.112716280000
 -0.915955550000  0.264510130000
  0.958281170000 -0.303870350000
  0.479928030000 -0.157337840000
 -0.975150340000  0.453500530000
 -0.438657980000  0.333410800000
 -0.009950824300 -0.703667210000
  0.001932080900 -0.520615300000
* p-type functions
   10    1
      10971.13492000
       2163.36600400
        610.56524330
         82.68543223
         16.52780477
      44805.70214e-4
      30013.04929e-4
       7711.94609e-4
       3443.21986e-4
       1351.23955e-4
  0.002761654100
  0.013070325000
  0.035243252000
 -0.142432550000
  0.357913910000
 -0.359780840000
 -0.318007080000
  0.618923660000
  0.483898140000
  0.075113014000
* d-type functions
   12    2
       1270.56611200
        354.61770290
        127.90869080
         24.70544519
         13.17640220
      57187.44269e-4
      30624.13175e-4
      14969.83291e-4
       6585.60661e-4
       2750.65134e-4
       1003.08055e-4
        321.59432e-4
  0.010568357000 -0.002225321500
  0.061935178000 -0.013156373000
  0.142918070000 -0.029914800000
 -0.307547230000  0.070648754000
 -0.235080180000  0.046300151000
  0.320130340000 -0.091346108000
  0.545791080000 -0.150673360000
  0.275301300000 -0.011027941000
  0.035370998000  0.226748130000
  0.000764024060  0.418114480000
  0.000151035180  0.452097690000
 -0.000011734610  0.169190750000
* f-type functions
    9    1
        390.18741060
        130.81637170
         53.21786741
         23.21706868
      50892.32224e-4
      24287.83859e-4
          1.13068970
       4995.36218e-4
       1999.54503e-4
 -0.005587396800
 -0.036944547000
 -0.113553300000
 -0.157184650000
  0.288235930000
  0.412707730000
  0.333346930000
  0.172371130000
  0.043502421000
********************************************************************************
* Core AIMP:Fm DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  7.1089136000e5  1.8170588900e5  6.4260957100e4  2.4449513600e4  9.6877350200e3  3.8734265800e3  1.6308421400e3  7.6948582200e2  2.8799050200e2  1.4793141000e2 30.478184000000
 16.041315500000  6.852782480000  3.645820870000
  0.029280783207  0.021433018319  0.031644058050  0.044299401961  0.057022016408  0.076449386128  0.131516373709  0.156278305246  0.133360735967  0.412446050751  0.606844717431
  0.165014008045  0.223190974226  0.036220170551
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  1.0535136400e4  2.0488938000e3  5.3754046000e2  1.4696456800e2 34.971444000000
        331.23875e10
         30.84153e10
47787046000.00000000
 9746892700.00000000
 2432438300.00000000
  713696780.00000000
  240600310.00000000
   87250784.00000000
   31218713.00000000
   10859057.00000000
    3738734.50000000
    1310900.10000000
     479496.33000000
     184307.36000000
      75208.88900000
      32742.54300000
      15116.57400000
       7258.32230000
       3579.99090000
       1801.88330000
        921.39357000
        472.27322000
        243.66645000
        121.25069000
         70.36271700
         39.11259600
         21.30763300
         12.04262000
          6.44518020
          3.32047700
          1.32087780
          0.76614456
          0.35406466
        805.34945e-4
        305.90075e-4
  0.000004000000 -0.000001800000  0.000000900000  0.000000500000 -0.000000200000
  0.000015000000 -0.000006700000  0.000003300000  0.000001700000 -0.000000900000
  0.000041799999 -0.000018500001  0.000009100000  0.000004800000 -0.000002500000
  0.000099299998 -0.000043700002  0.000021600000  0.000011399999 -0.000005900000
  0.000208199997 -0.000091400005  0.000045099999  0.000023799999 -0.000012300000
  0.000393099994 -0.000172200009  0.000084899998  0.000044899998 -0.000023100000
  0.000686899989 -0.000300400016  0.000148099997  0.000078199996 -0.000040300000
  0.001246599981 -0.000544400029  0.000268399994  0.000141699992 -0.000073000000
  0.002392299963 -0.001043900056  0.000514599988  0.000271699985 -0.000139999999
  0.004601599929 -0.002007800109  0.000989899978  0.000522699971 -0.000269399999
  0.008686299866 -0.003795700205  0.001871899958  0.000988599946 -0.000509499998
  0.015724599758 -0.006898400373  0.003404499923  0.001798299902 -0.000926799996
  0.027373499578 -0.012099800655  0.005980199865  0.003159999828 -0.001628799992
  0.045877699293 -0.020545201112  0.010177299770  0.005380799707 -0.002774099987
  0.073116698874 -0.033420301809  0.016620399624  0.008796699520 -0.004536099978
  0.110702498294 -0.052198602825  0.026098499409  0.013830899246 -0.007135899966
  0.160044297534 -0.078896004269  0.039808099099  0.021150698846 -0.010917199948
  0.217565296648 -0.114333206187  0.058332298680  0.031069898306 -0.016056399923
  0.255177496069 -0.144046407795  0.074713098309  0.040000597818 -0.020684199901
  0.222094196578 -0.119861006486  0.060256498636  0.031870598262 -0.016455099921
  0.107677698341  0.054179402932 -0.052910798802 -0.032338898236  0.017409799917
  0.017347399733  0.385772920876 -0.339202592322 -0.208988988602  0.112412699463
  0.000249099996  0.502595827197 -0.543177887706 -0.355706680600  0.195519599066
 -0.000009500000  0.190653610317 -0.035026599207  0.007050499615 -0.009376399955
 -0.000000700000 -0.010150400549  0.735821483345  0.871328652479 -0.569245597281
 -0.000039299999  0.012316800667  0.507120488522  0.716929360900 -0.495107597635
  0.000036999999 -0.007287900394  0.079797198194 -0.614890166465  0.627016497005
 -0.000020200000  0.004175700226 -0.001138099974 -0.886015751678  1.339336193603
  0.000011300000 -0.002078500112  0.001328899970 -0.161801091176 -0.344453598355
 -0.000005700000  0.000910000049 -0.000706399984 -0.001047499943 -1.179502194367
  0.000002800000 -0.000470200025  0.000277299994 -0.001109599939 -0.212421398985
 -0.000001800000  0.000300200016 -0.000174599996  0.000542199970  0.051262599755
  0.000000500000 -0.000079200004  0.000049499999 -0.000088699995 -0.010853699948
 -0.000000100000  0.000015400001 -0.000009200000  0.000018999999  0.001785899991
  0.000000000000 -0.000005800000  0.000003500000 -0.000006900000 -0.000659599997
   26    4
  1.6595112800e3  4.3024114000e2  1.1149926800e2 23.434068000000
  490772260.00000000
   68890516.00000000
   13876032.00000000
    3427260.30000000
     982977.92000000
     317157.58000000
     112163.13000000
      42913.81700000
      17553.81800000
       7600.63290000
       3461.38520000
       1651.79010000
        822.88824000
        426.28720000
        227.60085000
        123.23017000
         68.71325400
         38.45808400
         21.14737200
         11.90485200
          6.50329970
          3.49803480
          1.80999320
          0.83313924
          0.37574708
          0.15315832
  0.000010400000 -0.000005600000 -0.000003000000 -0.000001500000
  0.000032700000 -0.000017500000 -0.000009400000 -0.000004700000
  0.000088500000 -0.000047599999 -0.000025400000 -0.000012700000
  0.000218899999 -0.000117799997 -0.000062900000 -0.000031400001
  0.000510499998 -0.000275199994 -0.000147000000 -0.000073500002
  0.001159099996 -0.000626799986 -0.000335000001 -0.000167600004
  0.002620099992 -0.001423499967 -0.000761700002 -0.000381300008
  0.005943399982 -0.003249199925 -0.001741200006 -0.000871700019
  0.013657099959 -0.007532899826 -0.004046500013 -0.002028200045
  0.031551099905 -0.017632299593 -0.009502500030 -0.004763600106
  0.071282899784 -0.040646999062 -0.022024500071 -0.011067800246
  0.148080599552 -0.086970597993 -0.047487900152 -0.023883800531
  0.258184099219 -0.157420196368 -0.086886800278 -0.043912300976
  0.329979599002 -0.202493495328 -0.111706600358 -0.056235901250
  0.256452899224 -0.085375198030 -0.030758600098 -0.013352600297
  0.091571099723  0.260389593992  0.229413900735  0.131301402918
  0.007832399976  0.505307788340  0.460988901476  0.263993505867
  0.001125799997  0.310931292826  0.135027900432  0.048648101081
 -0.000742899998  0.059043798638 -0.527183001688 -0.469456210432
  0.000383499999  0.000972499978 -0.564322101807 -0.549996112222
 -0.000230399999  0.000477599989 -0.143894100461  0.309527306878
  0.000133000000 -0.000356599992 -0.005147200016  0.727444116166
 -0.000056600000  0.000084199998 -0.001168000004  0.283667706304
  0.000023000000 -0.000038199999  0.000335000001  0.022137200492
 -0.000008900000  0.000014400000 -0.000112300000  0.000315400007
  0.000002200000 -0.000003800000  0.000024100000 -0.000027800001
   18    2
  3.4212704000e2 77.730754000000
      38263.67200000
       9701.33510000
       3389.77950000
       1396.18710000
        638.80729000
        315.29081000
        164.50727000
         89.57335300
         50.10507500
         28.14592100
         15.96520400
          9.10015250
          5.34427930
          3.53798890
          2.48224450
          1.39407170
          0.69236582
          0.24252270
  0.000149600001  0.000086799995
  0.000912100009  0.000530799967
  0.004415800042  0.002583899840
  0.017996600171  0.010610699341
  0.059718500567  0.035687897784
  0.154089301462  0.093685994183
  0.285994902714  0.173216689244
  0.351161003332  0.192272788061
  0.247639202350  0.008951999444
  0.085233400809 -0.314694980459
  0.009035100086 -0.463081471246
  0.001289100012 -0.262853383678
 -0.000978500009 -0.054459896618
  0.000874900008 -0.009183699430
 -0.000515100005  0.000062699996
  0.000101700001 -0.000521899968
 -0.000029700000  0.000060599996
  0.000003200000 -0.000017899999
   13    1
 44.610772000000
       2106.92110000
        706.64432000
        300.80396000
        145.54316000
         75.30102600
         40.20096500
         21.40903600
         11.32454400
          5.83486910
          2.86928290
          1.33030680
          0.56756884
          0.21186365
 -0.000325300023
 -0.002876600207
 -0.015744301130
 -0.056949804089
 -0.149051910701
 -0.282517920283
 -0.368495626456
 -0.284569820430
 -0.102310507345
 -0.011178500803
 -0.000677400049
 -0.000160400012
 -0.000085700006
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Fm.AE.Paulovic.35s26p18d13f.7s5p4d2f.100e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        327.12404e10
        317.988440e9
49413213000.00000000
 9967516200.00000000
 2466837500.00000000
  721651390.00000000
  240988310.00000000
   86656453.00000000
   30999127.00000000
   10763771.00000000
    3724430.20000000
    1311738.20000000
     479496.33000000
     184678.67000000
      75349.61600000
      32769.34300000
      15100.83900000
       7263.67460000
       3580.30290000
       1795.61670000
        921.30078000
        472.23755000
        243.66645000
        121.25069000
         70.36271700
         39.11259600
         21.30759800
         12.04262000
          6.44516970
          3.32056310
          1.32087750
          0.76614456
          0.35405990
        805.25981e-4
        305.67888e-4
  0.000003900000 -0.000001800000  0.000000900000  0.000000500000 -0.000000200000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000014600000 -0.000006500000  0.000003200000  0.000001700000 -0.000000900000  0.000000400000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000041100000 -0.000018100000  0.000009000000  0.000004700000 -0.000002400000  0.000001100000  0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000098700000 -0.000043500000  0.000021500000  0.000011300000 -0.000005800000  0.000002600000  0.000000700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000207100000 -0.000090900000  0.000044900000  0.000023700000 -0.000012200000  0.000005500000  0.000001500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000391900000 -0.000171700000  0.000084700000  0.000044700000 -0.000023100000  0.000010400000  0.000002900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000694700000 -0.000303800000  0.000149800000  0.000079100000 -0.000040800000  0.000018300000  0.000005100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001254200000 -0.000547700000  0.000270000000  0.000142600000 -0.000073500000  0.000033000000  0.000009200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002406200000 -0.001049900000  0.000517600000  0.000273300000 -0.000140900000  0.000063300000  0.000017600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004622100000 -0.002016800000  0.000994300000  0.000525100000 -0.000270700000  0.000121600000  0.000033800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.008647200000 -0.003778700000  0.001863500000  0.000984200000 -0.000507500000  0.000227900000  0.000063300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.015710000000 -0.006892000000  0.003401300000  0.001796700000 -0.000926500000  0.000416100000  0.000115500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.027358800000 -0.012093100000  0.005976800000  0.003158400000 -0.001628800000  0.000731600000  0.000203100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.045739200000 -0.020483000000  0.010146400000  0.005364700000 -0.002767300000  0.001243000000  0.000345100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.073124700000 -0.033420400000  0.016620100000  0.008796800000 -0.004538600000  0.002038500000  0.000565900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.110876400000 -0.052282400000  0.026140800000  0.013854000000 -0.007151600000  0.003213500000  0.000892000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.160253000000 -0.078994400000  0.039856700000  0.021177300000 -0.010936800000  0.004912500000  0.001364000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.216758200000 -0.113924900000  0.058127000000  0.030962300000 -0.016009100000  0.007199100000  0.001997700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.256598900000 -0.144782000000  0.075082400000  0.040197800000 -0.020797600000  0.009340000000  0.002596200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.222026600000 -0.119857700000  0.060258100000  0.031873100000 -0.016463800000  0.007417700000  0.002050400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.106577900000  0.054851000000 -0.053265400000 -0.032531000000  0.017515500000 -0.007998000000 -0.002201100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.017885000000  0.385418800000 -0.339009900000 -0.208893700000  0.112430300000 -0.050967800000 -0.014229300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000124200000  0.502806200000 -0.543278900000 -0.355775600000  0.195644800000 -0.089563800000 -0.024794800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000328700000  0.190437500000 -0.034937900000  0.007072900000 -0.009345700000  0.005559000000  0.001185300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000313800000 -0.009925000000  0.735712200000  0.871369600000 -0.569694100000  0.270663300000  0.076741900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000188000000  0.012142700000  0.507222200000  0.717061000000 -0.495282800000  0.244677100000  0.067203300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000122600000 -0.007160900000  0.079725400000 -0.615277500000  0.627319600000 -0.341437500000 -0.094465100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000081800000  0.004091600000 -0.001084400000 -0.885691700000  1.340428700000 -0.811764200000 -0.241366100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000041100000 -0.002034100000  0.001296900000 -0.161906000000 -0.344450700000  0.348078300000  0.114929600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000017200000  0.000890600000 -0.000694500000 -0.001028700000 -1.182341500000  1.203728900000  0.375306100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000009200000 -0.000459800000  0.000270300000 -0.001105400000 -0.210053200000 -0.015233800000  0.013458000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000006000000  0.000293400000 -0.000169500000  0.000552300000  0.051070200000 -0.964296000000 -0.480700100000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000001500000 -0.000077600000  0.000048200000 -0.000091300000 -0.010664300000 -0.407433300000 -0.295407900000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000300000  0.000015100000 -0.000008500000  0.000019200000  0.001762600000 -0.008802700000  0.753121800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000100000 -0.000005600000  0.000003400000 -0.000007000000 -0.000655400000  0.001716700000  0.465193600000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  502699620.00000000
   71033070.00000000
   14377342.00000000
    3547371.50000000
    1010283.90000000
     320531.98000000
     112537.16000000
      42974.79900000
      17532.73700000
       7589.50570000
       3461.43410000
       1653.80880000
        824.48558000
        426.57567000
        226.98742000
        123.26412000
         68.91681800
         38.61634800
         21.00472900
         11.78021100
          6.43724540
          3.46517960
          1.79853970
          0.84831807
          0.39024535
          0.16274191
  0.000010200000 -0.000005500000 -0.000002900000 -0.000001500000  0.000000600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000031800000 -0.000017100000 -0.000009100000 -0.000004600000  0.000001800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000086200000 -0.000046300000 -0.000024700000 -0.000012400000  0.000004900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000213800000 -0.000115000000 -0.000061400000 -0.000030700000  0.000012100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000505700000 -0.000272600000 -0.000145600000 -0.000072900000  0.000028700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001163800000 -0.000629400000 -0.000336400000 -0.000168500000  0.000066300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002618400000 -0.001422500000 -0.000761200000 -0.000381500000  0.000150200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005951600000 -0.003253500000 -0.001743700000 -0.000873900000  0.000343900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.013702900000 -0.007558800000 -0.004060300000 -0.002037300000  0.000802300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.031560200000 -0.017636500000 -0.009506100000 -0.004770600000  0.001877400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.071142100000 -0.040570900000 -0.021981400000 -0.011058400000  0.004358700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.147694400000 -0.086725400000 -0.047363100000 -0.023846800000  0.009388600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.257759400000 -0.157186300000 -0.086737100000 -0.043885100000  0.017331400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.331445100000 -0.203254200000 -0.112182900000 -0.056537300000  0.022226000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.256791100000 -0.085292500000 -0.030429100000 -0.013180700000  0.005126200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.090114500000  0.259660100000  0.228004900000  0.130628600000 -0.053341600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.008697000000  0.502552800000  0.460123700000  0.263874300000 -0.106401700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000589300000  0.314368800000  0.135822400000  0.049087500000 -0.018581600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000360400000  0.059873200000 -0.537105400000 -0.480391700000  0.219222500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000129600000  0.000135600000 -0.559174000000 -0.543365100000  0.243386900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000080300000  0.000778000000 -0.137979700000  0.325630600000 -0.218380600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000053100000 -0.000503400000 -0.005084800000  0.724933600000 -0.502446400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000020800000  0.000154400000 -0.001002700000  0.275032000000 -0.067645100000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000009000000 -0.000067100000  0.000299900000  0.020681000000  0.559721400000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000003500000  0.000025600000 -0.000094700000  0.000539300000  0.531942500000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000900000 -0.000006500000  0.000019600000 -0.000120800000  0.117446700000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      37719.09500000
       9810.18920000
       3437.01760000
       1409.62030000
        642.17542000
        316.43537000
        164.91415000
         89.73109900
         50.47618500
         28.95340000
         16.50385500
          9.22155610
          4.91222920
          2.52842690
          1.22347440
          0.47070256
          0.16824094
        542.98705e-4
  0.000149900000  0.000087000000  0.000040900000 -0.000008600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000886600000  0.000515800000  0.000242400000 -0.000051300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004322000000  0.002530000000  0.001190300000 -0.000251200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.017811200000  0.010496000000  0.004948300000 -0.001048700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.059444200000  0.035538600000  0.016806900000 -0.003548100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.153579000000  0.093313700000  0.044329700000 -0.009414000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.286062600000  0.173473900000  0.082322400000 -0.017349500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.350599800000  0.191549400000  0.087987800000 -0.018727700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.244469500000  0.014251600000 -0.015903400000  0.004684800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.087339800000 -0.292369000000 -0.191826300000  0.041681400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.012126100000 -0.469139100000 -0.305588900000  0.069552100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000389300000 -0.288700000000 -0.030093900000 -0.004285400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000026300000 -0.056713700000  0.456933000000 -0.121751900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000051400000 -0.001517800000  0.498679700000 -0.139087800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000007900000 -0.000362900000  0.186040500000  0.064623300000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000003400000  0.000072400000  0.015436100000  0.353893200000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000400000 -0.000027500000 -0.000757700000  0.500697600000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000000100000  0.000008500000  0.000281300000  0.347271700000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2072.75360000
        707.73892000
        303.29971000
        146.53409000
         75.39236700
         40.07334800
         21.33068200
         11.26356800
          5.79778740
          2.88056000
          1.36778780
          0.60524818
          0.23701940
 -0.000332400000  0.000125400000  0.000000000000  0.000000000000
 -0.002827200000  0.001061700000  0.000000000000  0.000000000000
 -0.015442900000  0.005854700000  0.000000000000  0.000000000000
 -0.056591200000  0.021398900000  0.000000000000  0.000000000000
 -0.150280400000  0.057378700000  0.000000000000  0.000000000000
 -0.284025100000  0.104085400000  0.000000000000  0.000000000000
 -0.368832300000  0.120561100000  0.000000000000  0.000000000000
 -0.284164400000  0.015563500000  0.000000000000  0.000000000000
 -0.100544300000 -0.223885100000  0.000000000000  0.000000000000
 -0.010849400000 -0.392062600000  0.000000000000  0.000000000000
 -0.000652200000 -0.365524300000  0.000000000000  0.000000000000
 -0.000083900000 -0.217662500000  1.000000000000  0.000000000000
 -0.000062000000 -0.065729200000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Md.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.33el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
MENDELEVIUM (14s,10p,12d,9f) -> [2s,1p,2d,1f]
********************************************************************************
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on MdQR(4K)
********************************************************************************
    33.0   3
* s-type functions
   14    2
   17673784.01000000
    1499990.06300000
     200048.12330000
      31826.04740000
       5734.90160300
        359.13627450
         60.73914281
         14.66784500
          4.02831675
      19176.79006e-4
       8910.80875e-4
       3965.86072e-4
        871.01204e-4
        329.38955e-4
  0.000224930590 -0.000061949430
  0.000827960100 -0.000228037610
  0.002496753600 -0.000687636650
  0.007347050600 -0.002023716700
  0.018704810000 -0.005151422000
 -0.120023070000  0.033122602000
  0.400990060000 -0.111639110000
 -0.924897930000  0.265301170000
  1.208346200000 -0.380847530000
  0.334724930000 -0.114205900000
 -0.997270510000  0.438792940000
 -0.507534670000  0.374574630000
 -0.014220630000 -0.703167150000
  0.003239544600 -0.518662950000
* p-type functions
   10    1
      10974.64944000
       2191.95262100
        624.18934170
         85.04045614
         17.02660898
          4.71992052
      31528.96952e-4
       8001.28393e-4
          0.36081474
       1458.52127e-4
  0.002871344800
  0.013257078000
  0.035178512000
 -0.143024910000
  0.360124890000
 -0.339410120000
 -0.337961180000
  0.610207760000
  0.483202410000
  0.083913035000
* d-type functions
   12    2
       1299.22236200
        363.02355880
        131.28072060
         25.31861186
         13.62297650
      58243.66054e-4
      31468.23768e-4
      15301.14668e-4
       6580.14451e-4
       2702.29685e-4
       1053.25581e-4
        377.47706e-4
  0.010746750000 -0.002208502900
  0.062522182000 -0.012964237000
  0.143922510000 -0.029396519000
 -0.312618510000  0.070212194000
 -0.229964110000  0.043856943000
  0.328705630000 -0.092222490000
  0.541257610000 -0.144454520000
  0.272119700000 -0.007927858300
  0.031897872000  0.239246600000
  0.000717158640  0.403131570000
  0.000067528980  0.415269450000
  0.000015318089  0.206787760000
* f-type functions
    9    1
        402.98523880
        135.12796760
         55.04079155
         24.06151874
      53131.27566e-4
      25467.00475e-4
      11954.86649e-4
       5351.63396e-4
       2158.08704e-4
 -0.005633390000
 -0.037308567000
 -0.114987510000
 -0.159735510000
  0.290336400000
  0.410747200000
  0.328663890000
  0.172997850000
  0.046254091000
********************************************************************************
* Core AIMP:Md DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 15
  7.1363145000e5  1.8282489500e5  6.4699698600e4  2.4603489000e4  9.7761442100e3  3.9396469800e3  1.6730811700e3  7.9264078800e2  2.9832175700e2  1.5252401400e2 31.534835300000
 17.463359200000  7.538647300000  4.317479400000  2.133883200000
  0.028888040451  0.021058982551  0.031049945259  0.043249403192  0.055125496766  0.073880527423  0.126943853896  0.150715283509  0.127889638726  0.401510052929  0.580061652837
  0.156655128766  0.207210692549  0.055283046491  0.001084315262
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  1.0806102200e4  2.1099408000e3  5.5493348000e2  1.5234038400e2 36.359112000000
        331.97211e10
        308.549290e9
45944571000.00000000
 9310087500.00000000
 2314096600.00000000
  685870390.00000000
  237284540.00000000
   89612632.00000000
   32313443.00000000
   11045240.00000000
    3742511.50000000
    1304739.30000000
     476641.20000000
     183302.98000000
      74811.44200000
      32628.11500000
      15097.30100000
       7255.64210000
       3584.31320000
       1809.24260000
        922.41675000
        472.97762000
        244.24373000
        121.10738000
         70.36287000
         39.04033400
         21.30914900
         12.04180200
          6.44529890
          3.32398280
          1.32087600
          0.76624688
          0.35405327
        805.36328e-4
        314.38162e-4
  0.000004400000 -0.000002000000  0.000001000000  0.000000500000 -0.000000300000
  0.000016800001 -0.000007500000  0.000003700000  0.000002000000 -0.000001000000
  0.000047400002 -0.000021099999  0.000010400000  0.000005500000 -0.000002900000
  0.000111300005 -0.000049299997  0.000024399999  0.000012900000 -0.000006700000
  0.000231700010 -0.000102399993  0.000050599998  0.000026800000 -0.000013800000
  0.000426900018 -0.000188199988  0.000092899997  0.000049200000 -0.000025400000
  0.000713900030 -0.000314099979  0.000155099995  0.000082099999 -0.000042499999
  0.001270200053 -0.000558199964  0.000275499991  0.000145799999 -0.000075399999
  0.002514500104 -0.001104099928  0.000544899982  0.000288299997 -0.000149199998
  0.004909900204 -0.002155799859  0.001063899965  0.000562899994 -0.000291299996
  0.009234500384 -0.004060499735  0.002004599935  0.001060699989 -0.000548799993
  0.016579000689 -0.007318999522  0.003615899883  0.001913499981 -0.000990199987
  0.028676301191 -0.012756399167  0.006311599795  0.003341399967 -0.001729299977
  0.047790301985 -0.021541098593  0.010682399653  0.005658499944 -0.002929099961
  0.075726303145 -0.034845697724  0.017350299436  0.009200599908 -0.004763599936
  0.113541704716 -0.053906596479  0.026983999123  0.014327499857 -0.007422499901
  0.162968306769 -0.080887394717  0.040870098672  0.021757599783 -0.011275399849
  0.219635309122 -0.116120992416  0.059298398073  0.031642999684 -0.016421699780
  0.253449410527 -0.143310590640  0.074378797584  0.039891399602 -0.020703999723
  0.217412609030 -0.114231192539  0.056693698158  0.029912199702 -0.015504699793
  0.103432904296  0.067786295573 -0.062908297956 -0.038295699618  0.020703199723
  0.015062300626  0.398639573963 -0.354297488489 -0.219329897812  0.118493498415
  0.000679200028  0.492924367805 -0.534685882629 -0.351685996491  0.194562097397
 -0.000461000019  0.177566688402  0.009987699676  0.047500999526 -0.034721899536
  0.000418200017 -0.012096899210  0.747823875704  0.902009891000 -0.593491692061
 -0.000341600014  0.012183499204  0.479152984433  0.665169093363 -0.464319393789
  0.000250800010 -0.007298299523  0.066436797842 -0.687269893143  0.720896890357
 -0.000156600007  0.004189899726  0.000153099995 -0.844346091575  1.306204982527
  0.000081100003 -0.002084199864  0.000508399983 -0.138232098621 -0.469559093719
 -0.000036300002  0.000912199940 -0.000363299988 -0.000815499992 -1.129217584895
  0.000018900001 -0.000470999969  0.000108399996 -0.000877999991 -0.179478797599
 -0.000012100001  0.000301099980 -0.000065999998  0.000420399996  0.042374399433
  0.000003200000 -0.000079599995  0.000020599999 -0.000062999999 -0.008785699882
 -0.000000600000  0.000015799999 -0.000003700000  0.000014100000  0.001447099981
  0.000000200000 -0.000006100000  0.000001400000 -0.000005200000 -0.000544899993
   26    4
  1.7010784600e3  4.4254810000e2  1.1522925400e2 24.267544000000
  487485600.00000000
   68680830.00000000
   13811438.00000000
    3416016.30000000
     981883.99000000
     316544.42000000
     112123.77000000
      42903.56600000
      17559.44000000
       7600.77780000
       3461.49310000
       1651.71020000
        822.57095000
        426.45901000
        227.71622000
        123.10140000
         68.71240000
         38.50465300
         21.16011400
         11.92249000
          6.51342340
          3.49792690
          1.80825220
          0.83298031
          0.37506513
          0.15245873
  0.000011100000 -0.000005900000 -0.000003200000 -0.000001600000
  0.000034700002 -0.000018700000 -0.000009999999 -0.000005000000
  0.000094100004 -0.000050699999 -0.000027099998 -0.000013600000
  0.000231300010 -0.000124699998 -0.000066699995 -0.000033500000
  0.000538900024 -0.000291099996 -0.000155899989 -0.000078300000
  0.001221100055 -0.000661699990 -0.000354599975 -0.000178200000
  0.002749300124 -0.001496799977 -0.000802999944 -0.000403800000
  0.006224300280 -0.003410499948 -0.001832599872 -0.000921500000
  0.014248400640 -0.007877599880 -0.004243099704 -0.002136200001
  0.032833801475 -0.018398299721 -0.009943299307 -0.005006500002
  0.073748903313 -0.042170999360 -0.022915798402 -0.011567800004
  0.152331106843 -0.089750298637 -0.049152396573 -0.024830400009
  0.262705111802 -0.160588197561 -0.088892793802 -0.045135700017
  0.329911114821 -0.201901896934 -0.111465192228 -0.056308000021
  0.250790211267 -0.074713498865 -0.023168598385 -0.009316300004
  0.085891303859  0.278450995772  0.245549582879  0.141409600053
  0.006663500299  0.504239092343  0.461594367815  0.265221000100
  0.001054400047  0.296821495493  0.106047092606  0.029263300011
 -0.000703100032  0.053171299193 -0.552240761495 -0.499814700188
  0.000357100016  0.000667399990 -0.544832062012 -0.526442300198
 -0.000209600009  0.000389899994 -0.129315290984  0.362364500136
  0.000120900005 -0.000314799995 -0.004087699715  0.716681100269
 -0.000051300002  0.000070499999 -0.001062699926  0.257281700097
  0.000020800001 -0.000032000000  0.000306399979  0.018754800007
 -0.000008000000  0.000012000000 -0.000103399993  0.000335000000
  0.000002000000 -0.000003200000  0.000021899998 -0.000041400000
   18    2
  3.5172642000e2 80.434030000000
      38539.20900000
       9643.17550000
       3322.81830000
       1364.51130000
        628.03495000
        312.70424000
        163.78220000
         88.71439300
         49.01384000
         27.35940500
         15.60461000
          9.04168250
          5.47187910
          3.71193970
          2.44413020
          1.39676530
          0.73719247
          0.30859683
  0.000157199999  0.000091600003
  0.000984899993  0.000575500019
  0.004851199964  0.002851700095
  0.019541699855  0.011573100385
  0.063120799533  0.037923201261
  0.158954998823  0.097053703228
  0.292762297832  0.177900505917
  0.356680697359  0.192210206393
  0.239239298229 -0.015579600518
  0.073202599458 -0.345345911486
  0.007227499946 -0.449866214962
  0.000616699995 -0.235295007826
 -0.000283299998 -0.049100401633
  0.000126199999 -0.008953600298
 -0.000094599999 -0.000590900020
  0.000003800000 -0.000347600012
 -0.000008500000  0.000029500001
 -0.000000500000 -0.000016600001
   13    1
 46.586706000000
       2109.10380000
        708.04495000
        300.16793000
        145.41138000
         75.35501500
         40.21732300
         21.41566400
         11.33114600
          5.84333290
          2.87049040
          1.32919260
          0.56835306
          0.21330351
 -0.000345499995
 -0.003074399958
 -0.016812899771
 -0.059813399185
 -0.155003597888
 -0.289585296053
 -0.369992694957
 -0.275058496251
 -0.093475898726
 -0.009595999869
 -0.000721899990
 -0.000222799997
 -0.000101199999
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Md.AE.Paulovic.35s26p18d13f.7s5p4d2f.101e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        329.17221e10
          3.07033e11
47335075000.00000000
 9500318000.00000000
 2372301100.00000000
  698097480.00000000
  236925640.00000000
   88088781.00000000
   31753670.00000000
   10955725.00000000
    3740717.20000000
    1307811.20000000
     477191.35000000
     183634.21000000
      74948.30300000
      32639.66600000
      15088.90900000
       7269.12300000
       3585.70100000
       1800.89590000
        922.41675000
        472.79578000
        244.24262000
        121.10720000
         70.36335300
         39.04033400
         21.30914900
         12.04180200
          6.44530050
          3.32398900
          1.32088150
          0.76624458
          0.35406889
          0.08053655
        314.04444e-4
  0.000004400000 -0.000002000000  0.000001000000  0.000000500000 -0.000000300000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000016600000 -0.000007400000  0.000003700000  0.000001900000 -0.000001000000  0.000000500000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000046300000 -0.000020600000  0.000010200000  0.000005400000 -0.000002800000  0.000001300000  0.000000300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000110400000 -0.000048900000  0.000024200000  0.000012800000 -0.000006600000  0.000003000000  0.000000800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000227400000 -0.000100500000  0.000049600000  0.000026300000 -0.000013600000  0.000006100000  0.000001700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000428500000 -0.000188900000  0.000093300000  0.000049300000 -0.000025600000  0.000011500000  0.000003200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000728700000 -0.000320700000  0.000158300000  0.000083800000 -0.000043400000  0.000019500000  0.000005400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001295100000 -0.000569200000  0.000280900000  0.000148600000 -0.000076900000  0.000034600000  0.000009500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002524100000 -0.001108300000  0.000547000000  0.000289400000 -0.000149800000  0.000067400000  0.000018600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004890800000 -0.002147400000  0.001059800000  0.000560700000 -0.000290300000  0.000130500000  0.000036000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.009188400000 -0.004040200000  0.001994600000  0.001055400000 -0.000546400000  0.000245700000  0.000067700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.016558700000 -0.007309900000  0.003611400000  0.001911200000 -0.000989600000  0.000445000000  0.000122700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.028675500000 -0.012755700000  0.006311200000  0.003341300000 -0.001730100000  0.000778100000  0.000214500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.047685600000 -0.021493800000  0.010659000000  0.005646400000 -0.002924400000  0.001315300000  0.000362500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.075727500000 -0.034842300000  0.017348100000  0.009199700000 -0.004765600000  0.002143400000  0.000590900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.113777800000 -0.054022900000  0.027043200000  0.014359700000 -0.007443000000  0.003348400000  0.000922800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.162812300000 -0.080798400000  0.040822800000  0.021733000000 -0.011268500000  0.005068900000  0.001398200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.218816500000 -0.115705000000  0.059091200000  0.031534700000 -0.016373700000  0.007370300000  0.002029500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.255349300000 -0.144271000000  0.074853500000  0.040143700000 -0.020846200000  0.009379400000  0.002592300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.217456500000 -0.114342500000  0.056768100000  0.029955900000 -0.015533700000  0.006993800000  0.001910900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.101880000000  0.068814000000 -0.063480900000 -0.038610800000  0.020874500000 -0.009503000000 -0.002582900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.015899500000  0.398207300000 -0.354105000000 -0.219244800000  0.118522400000 -0.053887700000 -0.014977200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000078500000  0.493005000000 -0.534613400000 -0.351636700000  0.194611700000 -0.089110700000 -0.024409300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000089400000  0.177406200000  0.009959200000  0.047432500000 -0.034634000000  0.017072300000  0.004124600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000095300000 -0.011911200000  0.747817000000  0.902146100000 -0.594044200000  0.283962900000  0.080464100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000032900000  0.012033400000  0.479187300000  0.665218300000 -0.464341400000  0.229143700000  0.061424100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000013800000 -0.007186000000  0.066416100000 -0.687592300000  0.721055600000 -0.393462000000 -0.106889300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000012200000  0.004114900000  0.000170200000 -0.844056400000  1.307565700000 -0.803308200000 -0.240328600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000005500000 -0.002044600000  0.000495900000 -0.138330200000 -0.470067000000  0.461789000000  0.152687600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000001700000  0.000894600000 -0.000359900000 -0.000794300000 -1.131706700000  1.157368000000  0.353685500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000001000000 -0.000461900000  0.000106900000 -0.000872000000 -0.177031800000 -0.109977300000 -0.009098500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000000700000  0.000295100000 -0.000064100000  0.000429000000  0.042046200000 -0.933990200000 -0.492321900000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000000200000 -0.000078100000  0.000019900000 -0.000064800000 -0.008595700000 -0.374809200000 -0.256343400000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000000000000  0.000015500000 -0.000003600000  0.000014900000  0.001420100000 -0.005731200000  0.764006900000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000000000 -0.000006000000  0.000001400000 -0.000004000000 -0.000532400000  0.000832600000  0.444739600000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  492447700.00000000
   69077975.00000000
   13914203.00000000
    3440345.20000000
     985112.68000000
     317153.75000000
     112162.54000000
      42919.58400000
      17552.54000000
       7600.37920000
       3461.45520000
       1651.80780000
        822.97839000
        426.25674000
        227.58476000
        123.22189000
         68.72355800
         38.44775000
         21.14181100
         11.90803600
          6.50505900
          3.48940810
          1.80066870
          0.83727531
          0.37698652
          0.15388288
  0.000011000000 -0.000005900000 -0.000003200000 -0.000001600000  0.000000600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000034600000 -0.000018600000 -0.000010000000 -0.000005000000  0.000002000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000093500000 -0.000050300000 -0.000026900000 -0.000013500000  0.000005300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000230700000 -0.000124300000 -0.000066500000 -0.000033500000  0.000013100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000538600000 -0.000291000000 -0.000155800000 -0.000078400000  0.000030800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001220900000 -0.000661700000 -0.000354600000 -0.000178400000  0.000070000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002750000000 -0.001497200000 -0.000803300000 -0.000404300000  0.000158800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006224400000 -0.003410400000 -0.001832600000 -0.000922500000  0.000362200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.014261000000 -0.007884900000 -0.004247400000 -0.002140700000  0.000841100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.032811600000 -0.018384800000 -0.009936000000 -0.005008300000  0.001966500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.073783600000 -0.042194200000 -0.022930300000 -0.011588000000  0.004556800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.152185100000 -0.089653900000 -0.049098500000 -0.024829800000  0.009753600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.262721700000 -0.160622800000 -0.088923400000 -0.045202200000  0.017810400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.330487400000 -0.202160600000 -0.111584200000 -0.056425000000  0.022126500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.250224100000 -0.074564600000 -0.023155700000 -0.009333300000  0.003573900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.085933400000  0.277772200000  0.245044800000  0.141293200000 -0.057562600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006712800000  0.505607200000  0.462624400000  0.266077900000 -0.107038800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001075200000  0.296639700000  0.105424500000  0.028818100000 -0.010014000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000734500000  0.052644900000 -0.553436200000 -0.501475700000  0.229036300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000382400000  0.000789500000 -0.544068800000 -0.526311200000  0.234038600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000225600000  0.000327300000 -0.128752900000  0.365374300000 -0.242336100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000130100000 -0.000287100000 -0.004055300000  0.719928200000 -0.499552100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000056200000  0.000060600000 -0.001018000000  0.253066100000 -0.031877900000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000023100000 -0.000027700000  0.000309300000  0.017069700000  0.591211300000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000008800000  0.000010500000 -0.000101000000  0.000422500000  0.507794900000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000002200000 -0.000002800000  0.000021700000 -0.000114600000  0.093745500000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      37290.09600000
       9684.83150000
       3409.20770000
       1405.20590000
        640.47608000
        312.49184000
        160.32262000
         85.85559600
         47.60604800
         27.96062100
         16.97463300
          9.96479410
          5.41020180
          2.79602570
          1.33723700
          0.49613532
          0.17069789
        528.54833e-4
  0.000161700000 -0.000094300000  0.000044600000 -0.000009200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000952100000 -0.000556000000  0.000262700000 -0.000054300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.004584600000 -0.002696500000  0.001277200000 -0.000262600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.018648300000 -0.011032300000  0.005229800000 -0.001081400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.062527700000 -0.037581200000  0.017896800000 -0.003682000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.164452800000 -0.100311600000  0.047910800000 -0.009927100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.305580800000 -0.185846900000  0.088813700000 -0.018229900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.358959700000 -0.188779400000  0.085486500000 -0.017778500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.223296200000  0.027537800000 -0.040510400000  0.010161200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.065892100000  0.296595100000 -0.194596500000  0.040336200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.012087700000  0.417937700000 -0.275986300000  0.063051100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000183700000  0.296053000000 -0.060297400000  0.001653400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000297200000  0.070863500000  0.418772100000 -0.107230000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000196900000  0.002271000000  0.525514400000 -0.146399900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000037300000  0.000534400000  0.213284200000  0.050125400000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000018300000 -0.000105700000  0.017764500000  0.350842800000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
  0.000005600000  0.000040900000 -0.001025600000  0.513253000000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
 -0.000001600000 -0.000012400000  0.000351200000  0.354359900000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2094.22510000
        706.74562000
        302.26969000
        146.11926000
         75.13507800
         40.01668400
         21.37919400
         11.31738900
          5.80249690
          2.86074830
          1.34629490
          0.59407939
          0.23517659
 -0.000351600000  0.000134700000  0.000000000000  0.000000000000
 -0.003051700000  0.001164200000  0.000000000000  0.000000000000
 -0.016484300000  0.006346200000  0.000000000000  0.000000000000
 -0.059925000000  0.023022000000  0.000000000000  0.000000000000
 -0.157110800000  0.060899500000  0.000000000000  0.000000000000
 -0.289787400000  0.107430600000  0.000000000000  0.000000000000
 -0.368180700000  0.120654500000  0.000000000000  0.000000000000
 -0.275857800000  0.004905900000  0.000000000000  0.000000000000
 -0.092980800000 -0.243206300000  0.000000000000  0.000000000000
 -0.008817200000 -0.401594000000  0.000000000000  0.000000000000
 -0.000790800000 -0.355786900000  0.000000000000  0.000000000000
 -0.000077000000 -0.200541400000  1.000000000000  0.000000000000
 -0.000088000000 -0.057526900000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/No.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.34el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
NOBELIUM (14s,10p,12d,9f) -> [2s,1p,2d,1f]
********************************************************************************
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on NoQR(3H)
********************************************************************************
    34.0   3
* s-type functions
   14    2
   25781606.65000000
    2085498.92400000
     216370.36930000
      31455.14636000
       5737.53041600
        374.64420220
         62.16571278
         15.52132768
          4.01617990
      28420.67852e-4
       8683.78015e-4
       4208.40258e-4
          0.09240858
        336.87476e-4
 -0.000189570010 -0.000052001151
 -0.000787066170 -0.000215904010
 -0.002710798100 -0.000743595950
 -0.007775795900 -0.002133220700
 -0.018557810000 -0.005090398400
  0.119982570000  0.032979278000
 -0.408806370000 -0.113394170000
  0.910711980000  0.260195530000
 -1.187575700000 -0.380041840000
 -0.211474040000 -0.058984787000
  0.877809900000  0.384992030000
  0.502350590000  0.379414600000
  0.018642134000 -0.688373490000
 -0.004359574300 -0.536703510000
* p-type functions
   10    1
      13357.39893000
       2460.63748400
        664.14037780
         86.85532658
         17.61630363
      47938.98323e-4
      32092.13866e-4
       8331.18011e-4
       3757.33832e-4
       1521.02644e-4
  0.002533528400
  0.012659053000
  0.035990851000
 -0.143857150000
  0.360847710000
 -0.366964640000
 -0.309036980000
  0.600374640000
  0.490066690000
  0.087635607000
* d-type functions
   12    2
       1375.89060100
        380.53001180
        136.29715800
         25.19954608
         12.51590847
      60699.48451e-4
      31321.89694e-4
      15821.09426e-4
       7497.83475e-4
       3126.55083e-4
       1154.63171e-4
        394.94087e-4
  0.010344458000 -0.002065464300
  0.061749151000 -0.012454003000
  0.145948460000 -0.028953065000
 -0.350545150000  0.075885545000
 -0.219827450000  0.040505139000
  0.383520040000 -0.101935350000
  0.531933200000 -0.136994440000
  0.245426200000 -0.009335642600
  0.038588050000  0.193399040000
  0.001326621100  0.394789280000
  0.000169456000  0.448980900000
 -0.000022381056  0.237406340000
* f-type functions
    9    1
        418.34045200
        140.24014540
         57.14316444
         25.00869361
      55407.26444e-4
      26589.55889e-4
          1.25326670
       5642.38936e-4
       2285.64859e-4
 -0.005566766400
 -0.037060213000
 -0.115100690000
 -0.161092000000
  0.293621140000
  0.410637080000
  0.325188930000
  0.172005960000
  0.046870260000
********************************************************************************
* Core AIMP:No DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  7.2468780000e5  1.8662277900e5  6.6170107300e4  2.5238596200e4  1.0023206400e4  4.0329150700e3  1.7127687600e3  8.1169407800e2  3.0503099900e2  1.5665080200e2 32.287634100000
 16.782371700000  7.304839460000  3.884676940000
  0.028332817527  0.020556610663  0.030184526373  0.041905456460  0.053552756118  0.072063409321  0.123729250968  0.145560183511  0.124942254465  0.388587016255  0.577231098649
  0.151451293783  0.209184814225  0.032718511683
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  1.1083129000e4  2.1726498000e3  5.7278766000e2  1.5785125800e2 37.774620000000
        324.89842e10
        304.197620e9
45797007000.00000000
 9017584600.00000000
 2217541500.00000000
  665488300.00000000
  235112090.00000000
   93565629.00000000
   34428209.00000000
   11470997.00000000
    3800047.00000000
    1303436.80000000
     470673.72000000
     180448.47000000
      74289.26300000
      32768.45600000
      15141.26100000
       7241.47920000
       3585.95650000
       1812.27930000
        918.43375000
        471.84691000
        245.87404000
        121.00148000
         70.28100800
         38.97715000
         21.31802900
         12.02810100
          6.41548170
          3.34614270
          1.32077440
          0.76640180
          0.36074458
        806.11525e-4
        311.10764e-4
  0.000004900000 -0.000002200000  0.000001100000  0.000000600000 -0.000000300000
  0.000018600001 -0.000008300001  0.000004100000  0.000002200000 -0.000001100000
  0.000052400002 -0.000023400003  0.000011600001  0.000006200000 -0.000003200000
  0.000125700005 -0.000056000007  0.000027700001  0.000014700000 -0.000007599999
  0.000256200009 -0.000113900015  0.000056300003  0.000029900000 -0.000015499999
  0.000461400017 -0.000204700026  0.000101200005  0.000053600000 -0.000027899998
  0.000741600027 -0.000328400042  0.000162300008  0.000086000000 -0.000044699996
  0.001250200046 -0.000553000071  0.000273200013  0.000144800001 -0.000075199994
  0.002605100095 -0.001151200147  0.000568700027  0.000301400001 -0.000156599988
  0.005211700190 -0.002302800294  0.001137600055  0.000603000002 -0.000313199975
  0.009806000358 -0.004339000554  0.002144300103  0.001136600004 -0.000590399953
  0.017639300644 -0.007836501000  0.003875600186  0.002054600008 -0.001067399915
  0.030403601111 -0.013612701738  0.006742400323  0.003575900014 -0.001857799852
  0.049941801824 -0.022663602893  0.011251900539  0.005971100024 -0.003102999752
  0.077340102825 -0.035828704574  0.017859900856  0.009488000037 -0.004931099606
  0.115399604216 -0.055152807041  0.027640801325  0.014703700058 -0.007647999390
  0.167264406110 -0.083541110665  0.042254302025  0.022534300089 -0.011720199065
  0.222226908118 -0.118237215095  0.060458802898  0.032326000127 -0.016849698655
  0.251166809175 -0.142029718132  0.073668203531  0.039558100156 -0.020586898357
  0.213540707801 -0.108786113888  0.053284902554  0.028049400110 -0.014626298833
  0.098404903595  0.085040010857 -0.076053003646 -0.046217400182  0.025155097992
  0.012678200463  0.407864452070 -0.366349517561 -0.227833600897  0.123445890147
  0.001017100037  0.479299661190 -0.521084024978 -0.344163701355  0.191936484681
 -0.000777600028  0.170714221794  0.050409102416  0.086826200342 -0.061040595128
  0.000703500026 -0.018005602299  0.761326136495  0.932464503670 -0.615439050880
 -0.000543800020  0.015041801920  0.445618221361  0.604437302379 -0.430433565646
  0.000392000014 -0.009364701196  0.058299302795 -0.751847402959  0.821169634460
 -0.000245300009  0.005505700703 -0.001063000051 -0.803201403161  1.249587900267
  0.000127700005 -0.002792100356  0.001073900051 -0.114610500451 -0.577052353944
 -0.000057300002  0.001240500158 -0.000648700031 -0.001144200005 -1.074120814272
  0.000029500001 -0.000636000081  0.000273700013 -0.000358400001 -0.159640087259
 -0.000019200001  0.000412600053 -0.000176400008  0.000096400000  0.040052996803
  0.000005100000 -0.000110900014  0.000050800002  0.000020400000 -0.008513299321
 -0.000001000000  0.000020900003 -0.000009300000 -0.000003100000  0.001339399893
  0.000000400000 -0.000008000001  0.000003600000  0.000001500000 -0.000502899960
   26    4
  1.7432811000e3  4.5505298000e2  1.1901141400e2 25.103080000000
  480367830.00000000
   67913052.00000000
   13747703.00000000
    3375898.70000000
     966697.86000000
     314081.91000000
     112045.26000000
      42893.58200000
      17545.41100000
       7609.63620000
       3461.22700000
       1649.78690000
        823.07748000
        426.58298000
        227.12643000
        122.97752000
         68.65903800
         38.49108800
         21.20205000
         11.94810200
          6.57427980
          3.49654270
          1.77760970
          0.82803544
          0.37302744
          0.15022828
  0.000011899999 -0.000006400000 -0.000003400000 -0.000001700000
  0.000036999997 -0.000019900000 -0.000010699999 -0.000005400000
  0.000099999991 -0.000053899999 -0.000028899998 -0.000014600000
  0.000248199977 -0.000133999997 -0.000071899996 -0.000036300001
  0.000573699947 -0.000310499993 -0.000166699991 -0.000084100002
  0.001281599882 -0.000695999985 -0.000373899979 -0.000188700005
  0.002876999734 -0.001569699967 -0.000844299953 -0.000426300010
  0.006529499397 -0.003585499924 -0.001931599894 -0.000975300024
  0.014856798628 -0.008234099826 -0.004447299755 -0.002248200054
  0.034058096854 -0.019131899596 -0.010366999429 -0.005241600127
  0.076543192929 -0.043899399072 -0.023925298681 -0.012128300293
  0.156495685543 -0.092470598046 -0.050779797201 -0.025760900623
  0.266418975388 -0.163328296548 -0.090693695000 -0.046247801119
  0.331226269401 -0.201749395736 -0.111325193863 -0.056419501365
  0.244743477390 -0.063282298663 -0.015064399170 -0.004910800119
  0.079313392673  0.296516193733  0.262054485554  0.151697503669
  0.006203899427  0.502924589371  0.460870674594  0.265718906427
  0.000627999942  0.282045894039  0.076567595779  0.008653000209
 -0.000431099960  0.047350398999 -0.575127268295 -0.527319012754
  0.000179499983  0.000672899986 -0.524206171102 -0.503415012176
 -0.000100799991  0.000206299996 -0.115948093608  0.409844309913
  0.000060299994 -0.000224599995 -0.004579199748  0.713683617262
 -0.000023999998  0.000035899999 -0.000493799973  0.229327505547
  0.000010199999 -0.000018300000  0.000111099994  0.013186000319
 -0.000003900000  0.000006700000 -0.000030899998  0.001009200024
  0.000001000000 -0.000001800000  0.000003600000 -0.000208700005
   18    2
  3.6144128000e2 83.161280000000
      36197.14500000
       9068.20830000
       3148.02210000
       1293.90160000
        591.47639000
        291.34083000
        151.77063000
         83.25829400
         47.91586900
         28.75444300
         17.66178400
         10.63577300
          6.16049100
          3.74376250
          2.40130630
          1.38373020
          0.65282376
          0.13445144
  0.000182900024 -0.000107000000
  0.001141000148 -0.000669300001
  0.005569000720 -0.003289900007
  0.022470402907 -0.013367500028
  0.073124109459 -0.044225000094
  0.181655023498 -0.111409800236
  0.313709640580 -0.190486200403
  0.337872843705 -0.171942000364
  0.202458726189  0.038848300082
  0.067753308764  0.286368200606
  0.010317901335  0.409971400868
  0.001141100148  0.290044400614
 -0.000357800046  0.084913200180
  0.000192600025  0.006072100013
 -0.000163500021  0.002158400005
  0.000028900004 -0.000178900000
 -0.000012900002  0.000085500000
  0.000000400000 -0.000002700000
   13    1
 48.578518000000
       2116.87310000
        709.22986000
        300.51677000
        143.77918000
         73.80684000
         39.66755400
         21.67292500
         11.90268800
          6.41256250
          3.30259080
          1.58921060
          0.68635396
          0.25311325
 -0.000369800008
 -0.003255200068
 -0.017966700376
 -0.065486501369
 -0.166392803480
 -0.291099006087
 -0.352126407364
 -0.262012805479
 -0.099016302071
 -0.013151400275
 -0.000421000009
 -0.000019900000
 -0.000001500000
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   No.AE.Paulovic.35s26p18d13f.7s5p4d2f.102e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        325.03072e10
         30.70474e10
46420934000.00000000
 9215729700.00000000
 2291886900.00000000
  676630570.00000000
  237908220.00000000
   93251747.00000000
   33395697.00000000
   11255529.00000000
    3797149.20000000
    1310077.50000000
     472130.93000000
     181303.82000000
      74646.58600000
      32760.98400000
      15149.97000000
       7260.77220000
       3579.05350000
       1805.79990000
        921.11242000
        471.63227000
        243.72830000
        120.59203000
         70.15238300
         39.13983600
         21.25151400
         12.02957500
          6.44646540
          3.31528220
          1.31728240
          0.74322266
          0.37729556
        806.27328e-4
        297.49323e-4
  0.000004900000 -0.000002200000  0.000001100000  0.000000600000 -0.000000300000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000018400000 -0.000008300000  0.000004100000  0.000002200000 -0.000001100000  0.000000500000  0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000051800000 -0.000023200000  0.000011500000  0.000006100000 -0.000003200000  0.000001400000  0.000000400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000122800000 -0.000054800000  0.000027100000  0.000014400000 -0.000007500000  0.000003400000  0.000000900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000251500000 -0.000111800000  0.000055300000  0.000029300000 -0.000015200000  0.000006900000  0.000001900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000464600000 -0.000206100000  0.000101900000  0.000054000000 -0.000028100000  0.000012600000  0.000003500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000733000000 -0.000324600000  0.000160400000  0.000085000000 -0.000044200000  0.000019900000  0.000005500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001302000000 -0.000575900000  0.000284500000  0.000150800000 -0.000078400000  0.000035300000  0.000009700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002666900000 -0.001178500000  0.000582200000  0.000308600000 -0.000160400000  0.000072200000  0.000019800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005172800000 -0.002285600000  0.001129100000  0.000598500000 -0.000311000000  0.000140000000  0.000038400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.009694600000 -0.004289600000  0.002119900000  0.001123700000 -0.000584000000  0.000262900000  0.000072100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.017592200000 -0.007815300000  0.003865000000  0.002049100000 -0.001065100000  0.000479500000  0.000131500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.030379500000 -0.013601500000  0.006736900000  0.003573100000 -0.001857300000  0.000836200000  0.000229300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.049647400000 -0.022527800000  0.011184000000  0.005935300000 -0.003085900000  0.001389600000  0.000380900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.077463900000 -0.035881500000  0.017886500000  0.009502700000 -0.004941500000  0.002224900000  0.000610000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.115928100000 -0.055403400000  0.027764100000  0.014769500000 -0.007685300000  0.003461800000  0.000948900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.166342900000 -0.083083200000  0.042029400000  0.022416600000 -0.011667600000  0.005253400000  0.001440800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.222507400000 -0.118340200000  0.060490300000  0.032340500000 -0.016858500000  0.007600300000  0.002082200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.253140200000 -0.143185400000  0.074312900000  0.039915000000 -0.020801900000  0.009362300000  0.002571700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.212155200000 -0.107870900000  0.052679100000  0.027699000000 -0.014408000000  0.006510400000  0.001771900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.097762500000  0.083853200000 -0.074791700000 -0.045417200000  0.024640800000 -0.011266800000 -0.003061500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.013381600000  0.412921400000 -0.371438600000 -0.231089700000  0.125499500000 -0.057055700000 -0.015748200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000627900000  0.480722000000 -0.523192700000 -0.345770800000  0.192540600000 -0.088513800000 -0.024150100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000476100000  0.162528600000  0.063666800000  0.097008000000 -0.065835100000  0.032401100000  0.008429300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000434500000 -0.013074700000  0.750337700000  0.924272100000 -0.613722600000  0.292970300000  0.082341400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000348500000  0.011469600000  0.448979700000  0.602214700000 -0.422818600000  0.211935400000  0.056705900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000253400000 -0.006799100000  0.058640300000 -0.750259400000  0.811432300000 -0.452132000000 -0.123737600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000159300000  0.003918500000 -0.000789700000 -0.798677300000  1.262317700000 -0.774660900000 -0.229913600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000082100000 -0.001936500000  0.000713800000 -0.116345600000 -0.595957600000  0.562337400000  0.180876600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000036400000  0.000843200000 -0.000445300000 -0.001111800000 -1.074151200000  1.123151800000  0.343832600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000018900000 -0.000432800000  0.000159400000 -0.000444300000 -0.143545900000 -0.278095700000 -0.077223100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000012700000  0.000289600000 -0.000101400000  0.000179500000  0.033077300000 -0.816546000000 -0.446277900000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000003800000 -0.000088000000  0.000034500000 -0.000011800000 -0.007698000000 -0.359648400000 -0.237873500000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000000600000  0.000013800000 -0.000005100000  0.000002200000  0.000940900000 -0.011796900000  0.804366600000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000200000 -0.000005000000  0.000001500000  0.000001400000 -0.000343600000  0.003053900000  0.399820900000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  489226210.00000000
   69138321.00000000
   13882200.00000000
    3433583.90000000
     985287.36000000
     315330.47000000
     111783.79000000
      42963.89200000
      17554.82300000
       7597.95840000
       3461.84240000
       1651.98770000
        822.71907000
        426.70881000
        227.93818000
        123.09208000
         68.71074200
         38.52417200
         21.16405500
         11.91556800
          6.51832030
          3.48247660
          1.78097560
          0.83460978
          0.38285384
          0.15590927
  0.000011700000 -0.000006300000 -0.000003400000 -0.000001700000  0.000000700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000036600000 -0.000019700000 -0.000010600000 -0.000005300000  0.000002100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000099300000 -0.000053600000 -0.000028700000 -0.000014500000  0.000005700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000243300000 -0.000131400000 -0.000070500000 -0.000035600000  0.000013900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000569500000 -0.000308200000 -0.000165400000 -0.000083600000  0.000032700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001295100000 -0.000703300000 -0.000377800000 -0.000190900000  0.000074700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002877000000 -0.001569600000 -0.000844300000 -0.000426800000  0.000167200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006502600000 -0.003570900000 -0.001923900000 -0.000972400000  0.000380800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.014903100000 -0.008258900000 -0.004460600000 -0.002257500000  0.000884700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.034118300000 -0.019168700000 -0.010388400000 -0.005258100000  0.002059000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.076271400000 -0.043735900000 -0.023834200000 -0.012096000000  0.004744800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.156470600000 -0.092471900000 -0.050790500000 -0.025793000000  0.010104000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.267060900000 -0.163656200000 -0.090853700000 -0.046385000000  0.018234300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.329716000000 -0.201065500000 -0.111035800000 -0.056324500000  0.022010300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.244800200000 -0.063783200000 -0.015378200000 -0.005133300000  0.001919600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.080692200000  0.295835700000  0.261469700000  0.151651400000 -0.061706600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005606000000  0.503022800000  0.461433600000  0.266143700000 -0.106602400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001031900000  0.282559900000  0.076089500000  0.008783200000 -0.001831100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000702000000  0.047632600000 -0.577167300000 -0.531530600000  0.243499600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000359200000  0.000414300000 -0.523648300000 -0.499056500000  0.218282700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000206300000  0.000317300000 -0.114601400000  0.416744300000 -0.271352300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000117800000 -0.000283000000 -0.003612300000  0.709167200000 -0.494160800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000051200000  0.000064700000 -0.000755000000  0.226099200000  0.013101000000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000021800000 -0.000029800000  0.000227100000  0.012757200000  0.589118600000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000008400000  0.000011400000 -0.000072900000  0.000829400000  0.489040800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000002100000 -0.000002900000  0.000014000000 -0.000209700000  0.092814300000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      40156.99600000
       9890.47840000
       3347.80340000
       1349.47480000
        608.58649000
        296.76672000
        152.63982000
         81.72102200
         44.60888500
         24.37266400
         13.48811000
          7.36231530
          3.88943600
          1.96336430
          0.91125357
          0.35683116
          0.12874681
        429.77166e-4
  0.000157400000  0.000092100000  0.000043800000 -0.000008800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001010500000  0.000592600000  0.000281500000 -0.000056400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005125200000  0.003026300000  0.001442300000 -0.000288600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.021320800000  0.012678900000  0.006042400000 -0.001210700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.070966600000  0.042885500000  0.020561800000 -0.004117300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.180266100000  0.110556300000  0.053073700000 -0.010650500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.320838400000  0.194872000000  0.093698000000 -0.018754300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.356779900000  0.178689300000  0.078910100000 -0.015653600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.207994400000 -0.086776200000 -0.076104300000  0.016654500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.049818800000 -0.428588500000 -0.285816400000  0.059968300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002709100000 -0.437029800000 -0.249435500000  0.051081700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000287800000 -0.158038500000  0.220981200000 -0.063468300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000186700000 -0.014955900000  0.549650500000 -0.140317500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000019500000 -0.000740600000  0.358265500000 -0.068133400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000024700000  0.000055400000  0.075140700000  0.159843400000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000005000000 -0.000042000000  0.002348600000  0.392574200000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000002200000  0.000014600000  0.000360000000  0.465579800000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000700000 -0.000004100000 -0.000079200000  0.274911300000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2260.60260000
        743.75048000
        313.67655000
        150.24681000
         76.37505900
         40.14771900
         21.33292400
         11.37822100
          5.97820440
          3.02417530
          1.45834180
          0.65425951
          0.25694188
 -0.000323800000  0.000125700000  0.000000000000  0.000000000000
 -0.002956700000  0.001145700000  0.000000000000  0.000000000000
 -0.016388100000  0.006395300000  0.000000000000  0.000000000000
 -0.060827500000  0.023739900000  0.000000000000  0.000000000000
 -0.163320000000  0.064148700000  0.000000000000  0.000000000000
 -0.301003400000  0.113076000000  0.000000000000  0.000000000000
 -0.368765900000  0.120080800000  0.000000000000  0.000000000000
 -0.261382700000 -0.004683900000  0.000000000000  0.000000000000
 -0.086724400000 -0.241235800000  0.000000000000  0.000000000000
 -0.009711100000 -0.388659700000  0.000000000000  0.000000000000
 -0.000687500000 -0.350949700000  0.000000000000  0.000000000000
 -0.000264800000 -0.208471800000  1.000000000000  0.000000000000
 -0.000080400000 -0.063518000000  0.000000000000  1.000000000000
End of Spectral Representation Operator

/Lr.DK3-AIMP.Paulovic.14s10p12d9f.2s1p2d1f.ECP.35el.
J. Paulovic, T. Nakajima, K. Hirao, L. Seijo. J. Chem. Phys. 117 (2002) 3597-3604. doi:10.1063/1.1483850
LAWRENCIUM (14s,10p,12d,9f) -> [2s,1p,2d,1f]
********************************************************************************
* valence basis set (14s10p12d9f) optimized in HF DK3-AIMP calc. on LrQR(2D)
********************************************************************************
    35.0   3
* s-type functions
   14    2
   24785595.10000000
    2085284.18700000
     222020.07580000
      32085.88212000
       5805.09357500
        390.21076390
         63.86478465
         16.11898622
      42538.36317e-4
      31931.07557e-4
       8828.89202e-4
       4169.92548e-4
        848.25702e-4
        318.44534e-4
 -0.000204774430 -0.000055798171
 -0.000820340830 -0.000223534580
 -0.002780145600 -0.000757543880
 -0.008010977500 -0.002183118900
 -0.018465254000 -0.005031241900
  0.119528640000  0.032633101000
 -0.411703550000 -0.113406300000
  0.916428530000  0.259670930000
 -1.070507200000 -0.332654670000
 -0.324465630000 -0.105671580000
  0.918047310000  0.423018350000
  0.461210800000  0.324046740000
  0.013805100000 -0.779751010000
 -0.003548813900 -0.427592770000
* p-type functions
   10    1
      13572.96330000
       2496.32103400
        676.12257600
         89.40886290
         18.14087979
      50898.25466e-4
      34679.86811e-4
       8520.97943e-4
       3838.63389e-4
       1524.13873e-4
  0.002585251000
  0.012811697000
  0.035680780000
 -0.143230350000
  0.359772970000
 -0.317469060000
 -0.350295250000
  0.601654810000
  0.487434560000
  0.085387816000
* d-type functions
   12    2
       1402.84385200
        387.72957690
        139.07610350
         26.37981714
         14.14074593
      61685.79381e-4
      34251.44229e-4
      17249.24759e-4
       7442.29068e-4
       2595.18274e-4
        845.68729e-4
        308.42047e-4
  0.010566552000 -0.002047937700
  0.062759235000 -0.012281029000
  0.146933030000 -0.028294622000
 -0.330890350000  0.069906067000
 -0.217827330000  0.039249455000
  0.336120860000 -0.091551538000
  0.513238900000 -0.123075990000
  0.286288660000 -0.029665247000
  0.040459010000  0.237601050000
  0.000121590280  0.474746440000
  0.000319302990  0.430534900000
 -0.000099868310  0.148364830000
* f-type functions
    9    1
        432.02054630
        144.82527710
         59.05759512
         25.88939883
      57764.37727e-4
      27842.81592e-4
      13155.30332e-4
       5922.66252e-4
       2394.10697e-4
 -0.005585067000
 -0.037267197000
 -0.116157330000
 -0.163133280000
  0.294781790000
  0.409861750000
  0.324440100000
  0.171422840000
  0.046378945000
********************************************************************************
* Core AIMP:Lr DK3  [Xe,4f]
*
* Local Potential Parameters: (ECP convention)
*                             A(AIMP)=-Zeff*A(ECP)
********************************************************************************
M1
 14
  7.2501607000e5  1.8675781200e5  6.6346462300e4  2.5435598100e4  1.0171198800e4  4.1122621000e3  1.7523073800e3  8.3155591200e2  3.1273559900e2  1.6104126400e2 33.213996600000
 17.147478900000  7.553692600000  4.038079300000
  0.028072645822  0.020300710102  0.029599117989  0.040670741276  0.051739707739  0.070121436343  0.120483056310  0.140555004711  0.121510085524  0.376973915089  0.563757905247
  0.144769167722  0.202771437510  0.031532211473
M2
  0
COREREP
 1.0
PROJOP
    3
   35    5
  1.1366933200e4  2.2376132000e3  5.9167036000e2  1.6405377400e2 39.765594000000
        396.74449e10
        309.984460e9
44219987000.00000000
 8664208900.00000000
 2190531200.00000000
  652910030.00000000
  231719300.00000000
   95239269.00000000
   35362672.00000000
   11834136.00000000
    3867554.90000000
    1303302.50000000
     464607.24000000
     178507.68000000
      74219.30100000
      32794.92800000
      15070.36000000
       7219.95680000
       3605.18380000
       1813.68380000
        903.44198000
        468.13900000
        245.41320000
        115.80165000
         69.77765700
         39.11966200
         20.89673100
         12.13820100
          6.37653710
          3.33531460
          1.34053080
          0.72285688
          0.36247974
        851.77924e-4
        316.72413e-4
  0.000005100000 -0.000002300000  0.000001100000  0.000000600000 -0.000000300000
  0.000021199998 -0.000009600000  0.000004800000  0.000002500000 -0.000001300000
  0.000059499994 -0.000026799999  0.000013300000  0.000007100000 -0.000003700000
  0.000138299987 -0.000062099999  0.000030699999  0.000016299999 -0.000008500000
  0.000275799973 -0.000123399997  0.000061099999  0.000032399998 -0.000016900000
  0.000509799951 -0.000227699995  0.000112599997  0.000059799997 -0.000031200001
  0.000775999925 -0.000345899993  0.000171099996  0.000090899996 -0.000047400001
  0.001295199875 -0.000576699988  0.000285199993  0.000151399993 -0.000079000002
  0.002705599739 -0.001203399975  0.000595099986  0.000315999984 -0.000164800004
  0.005441599475 -0.002419799949  0.001196599972  0.000635299969 -0.000331400008
  0.010396198998 -0.004629399903  0.002290099946  0.001216099940 -0.000634300015
  0.018797498188 -0.008404399824  0.004160399903  0.002209499891 -0.001152700027
  0.032174496898 -0.014500799696  0.007190199832  0.003820399811 -0.001993200047
  0.051667995018 -0.023603299505  0.011729599725  0.006235299692 -0.003253800077
  0.079184092365 -0.036931599225  0.018433799568  0.009812599515 -0.005121800121
  0.118941388532 -0.057213598800  0.028693699328  0.015285899245 -0.007982800189
  0.171699083445 -0.086385198188  0.043778198975  0.023406098844 -0.012229600289
  0.222018678593 -0.118716697510  0.060674998579  0.032456798397 -0.016978000401
  0.248420176048 -0.140679197050  0.073148298287  0.039437998052 -0.020636500488
  0.212619079500 -0.103280497834  0.049048898851  0.025431298744 -0.013227200313
  0.092643691067  0.106235197772 -0.091366897860 -0.054962097285  0.029857200705
  0.009417799092  0.416154491272 -0.381419491067 -0.239726188157  0.130932003093
  0.001611599845  0.469781690148 -0.503239988214 -0.330749783660  0.184787104366
 -0.001331099872  0.164411196552  0.114504097318  0.146454492765 -0.098225102321
  0.001259899879 -0.035423899257  0.747545382493  0.945528253287 -0.632890214953
 -0.000882099915  0.022060799537  0.417059790233  0.513450974634 -0.359490008493
  0.000621699940 -0.013687099713  0.051535298793 -0.801527960401  0.903303821342
 -0.000399299962  0.008379399824 -0.002938999931 -0.732930063790  1.156594027326
  0.000196299981 -0.004033699915  0.001439999966 -0.114395194348 -0.666840715755
 -0.000088399991  0.001805699962 -0.000768299982  0.006318599688 -1.019181024080
  0.000042199996 -0.000860199982  0.000308099993 -0.003525799826 -0.119557202825
 -0.000027099997  0.000551999988 -0.000193399995  0.002163899893  0.023165800547
  0.000008799999 -0.000180299996  0.000065899998 -0.000670499967 -0.005711000135
 -0.000001600000  0.000032299999 -0.000011600000  0.000122399994  0.000790000019
  0.000000600000 -0.000011500000  0.000004200000 -0.000043799998 -0.000274100006
   26    4
  1.7866477600e3  4.6830624000e2  1.2339554000e2 26.470290000000
  370823890.00000000
   55960854.00000000
   12078576.00000000
    3116104.50000000
     306639.62000000
     920718.16000000
     111343.65000000
      43139.10100000
      17688.12900000
       7644.47660000
       3468.45480000
       1647.57370000
        817.37833000
        422.57661000
        225.98536000
        124.10979000
         70.04369700
         39.66171200
         21.34273300
         11.89699500
          6.46228490
          3.41332310
          1.70526420
          0.82660041
          0.38674833
          0.16221806
  0.000014900001 -0.000008000000 -0.000004300000 -0.000002200000
  0.000043200002 -0.000023300001 -0.000012500000 -0.000006400000
  0.000111600006 -0.000060300003 -0.000032399999 -0.000016400000
  0.000270100014 -0.000146100008 -0.000078599997 -0.000039800000
  0.001347800067 -0.000733400039 -0.000394999985 -0.000200300002
  0.000613600031 -0.000332800018 -0.000179099993 -0.000090800001
  0.002990000149 -0.001634900086 -0.000881599966 -0.000447300006
  0.006739500337 -0.003708400196 -0.002003199923 -0.001016500013
  0.015408500770 -0.008560500452 -0.004634899821 -0.002354800029
  0.035369101768 -0.019913501053 -0.010822199582 -0.005499300068
  0.079192503959 -0.045558202408 -0.024889999039 -0.012681600158
  0.162028508099 -0.095988505074 -0.052887797958 -0.026966500335
  0.274028913698 -0.168589108911 -0.093815896378 -0.048090200598
  0.330815916536 -0.199800010561 -0.110318895741 -0.056104300697
  0.233811011687 -0.049843102635 -0.005202299799  0.000395300005
  0.073474803673  0.302046515965  0.265766689740  0.154932101925
  0.006531800327  0.492378526026  0.457014482357  0.264807203290
  0.000250700013  0.282162314914  0.066368997438  0.001966300024
 -0.000187500009  0.049530902618 -0.602628776735 -0.564714307017
  0.000029200001 -0.001868700099 -0.509109280346 -0.471690305861
 -0.000013900001  0.001288900068 -0.098226696208  0.483682306010
  0.000016200001 -0.000768700041 -0.003214499876  0.693429208616
 -0.000004700000  0.000309000016 -0.000352999986  0.187897602335
  0.000002400000 -0.000145400008  0.000082499997  0.006413300080
 -0.000000900000  0.000056400003 -0.000017899999  0.001711100021
  0.000000200000 -0.000014000001  0.000000200000 -0.000401000005
   18    2
  3.7181700000e2 86.460158000000
      33883.21900000
       8462.20610000
       2945.41430000
       1216.58070000
        560.42849000
        280.51156000
        149.61578000
         84.18176800
         48.47018500
         27.10565900
         15.06318700
          8.20715220
          4.35722640
          2.22659410
          1.06480620
          0.39734160
          0.13720912
        433.47259e-4
  0.000213699998  0.000125600001
  0.001346599987  0.000793600009
  0.006528799936  0.003872800043
  0.025909599747  0.015500300171
  0.081288299208  0.049424700544
  0.189727598151  0.116966301287
  0.308064896997  0.186900102057
  0.324976496832  0.164974801815
  0.209983297953 -0.051313500565
  0.064904499367 -0.385738804245
  0.003629799965 -0.466355605132
  0.000950099991 -0.193071802125
 -0.000528599995 -0.021699400239
  0.000169999998 -0.001054300012
 -0.000086499999  0.000032000000
  0.000022300000 -0.000043100000
 -0.000008500000  0.000013600000
  0.000002600000 -0.000003800000
   13    1
 51.130960000000
       2124.28080000
        709.41607000
        300.46753000
        143.66872000
         73.74290200
         39.62764000
         21.69452700
         11.94055500
          6.44173870
          3.30920890
          1.60269060
          0.71663710
          0.28133596
 -0.000394099993
 -0.003469799942
 -0.019055399679
 -0.068875498840
 -0.173113497085
 -0.297296394994
 -0.351268394085
 -0.253228095736
 -0.091621898457
 -0.011338899809
 -0.000306599995
 -0.000020100000
  0.000001400000
Spectral Representation Operator
Mixed valence-core primitive basis
 1.6
Exchange
NoP3
SOC
********************************************************************************
*   Lr.AE.Paulovic.35s26p18d13f.7s5p4d2f.103e-DK3-AE.
********************************************************************************
    3
* s-type functions
   35   11    5
        396.74449e10
        309.984460e9
44219987000.00000000
 8664208900.00000000
 2190531200.00000000
  652910030.00000000
  231719300.00000000
   95239269.00000000
   35362672.00000000
   11834136.00000000
    3867554.90000000
    1303302.50000000
     464607.24000000
     178507.68000000
      74219.30100000
      32794.92800000
      15070.36000000
       7219.95680000
       3605.18380000
       1813.68380000
        903.44198000
        468.13900000
        245.41320000
        115.80165000
         69.77765700
         39.11966200
         20.89673100
         12.13820100
          6.37653710
          3.33531460
          1.34053080
          0.72285688
          0.36247974
        851.77924e-4
        316.72413e-4
  0.000005100000 -0.000002300000  0.000001100000  0.000000600000 -0.000000300000 -0.000000100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000021200000 -0.000009600000  0.000004800000  0.000002500000 -0.000001300000 -0.000000600000  0.000000200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000059500000 -0.000026800000  0.000013300000  0.000007100000 -0.000003700000 -0.000001700000  0.000000500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000138300000 -0.000062100000  0.000030700000  0.000016300000 -0.000008500000 -0.000003800000  0.000001000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000275800000 -0.000123400000  0.000061100000  0.000032400000 -0.000016900000 -0.000007600000  0.000002100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000509800000 -0.000227700000  0.000112600000  0.000059800000 -0.000031200000 -0.000014100000  0.000003800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000776000000 -0.000345900000  0.000171100000  0.000090900000 -0.000047400000 -0.000021400000  0.000005800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001295200000 -0.000576700000  0.000285200000  0.000151400000 -0.000079000000 -0.000035600000  0.000009700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002705600000 -0.001203400000  0.000595100000  0.000316000000 -0.000164800000 -0.000074300000  0.000020300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.005441600000 -0.002419800000  0.001196600000  0.000635300000 -0.000331400000 -0.000149300000  0.000040800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.010396200000 -0.004629400000  0.002290100000  0.001216100000 -0.000634300000 -0.000285900000  0.000078000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.018797500000 -0.008404400000  0.004160400000  0.002209500000 -0.001152700000 -0.000519500000  0.000141800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.032174500000 -0.014500800000  0.007190200000  0.003820400000 -0.001993200000 -0.000898300000  0.000245100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.051668000000 -0.023603300000  0.011729600000  0.006235300000 -0.003253800000 -0.001466500000  0.000400200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.079184100000 -0.036931600000  0.018433800000  0.009812600000 -0.005121800000 -0.002308300000  0.000630000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.118941400000 -0.057213600000  0.028693700000  0.015285900000 -0.007982800000 -0.003599100000  0.000982000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.171699100000 -0.086385200000  0.043778200000  0.023406100000 -0.012229600000 -0.005512200000  0.001504900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.222018700000 -0.118716700000  0.060675000000  0.032456700000 -0.016978000000 -0.007660700000  0.002089000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.248420200000 -0.140679200000  0.073148300000  0.039438000000 -0.020636600000 -0.009298700000  0.002542700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.212619100000 -0.103280500000  0.049048800000  0.025431300000 -0.013227200000 -0.005975100000  0.001617900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.092643700000  0.106235300000 -0.091366800000 -0.054962000000  0.029857300000  0.013642200000 -0.003696900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.009417700000  0.416154600000 -0.381419400000 -0.239725900000  0.130932700000  0.059630500000 -0.016381000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001611600000  0.469782000000 -0.503240000000 -0.330750000000  0.184786900000  0.085011500000 -0.023095000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.001331300000  0.164411200000  0.114504100000  0.146454400000 -0.098225700000 -0.047920100000  0.012649500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001260100000 -0.035424100000  0.747546000000  0.945528300000 -0.632891900000 -0.302897300000  0.084740500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000882300000  0.022060500000  0.417060300000  0.513452500000 -0.359488200000 -0.181297200000  0.048066300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000621700000 -0.013687100000  0.051535000000 -0.801530600000  0.903307800000  0.510451000000 -0.139921500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000399300000  0.008379200000 -0.002939400000 -0.732932700000  1.156590300000  0.709464000000 -0.209862800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000196300000 -0.004033700000  0.001439500000 -0.114393500000 -0.666843700000 -0.634831300000  0.201884600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000088400000  0.001805600000 -0.000768600000  0.006321100000 -1.019181600000 -1.069574900000  0.326377200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000042200000 -0.000860300000  0.000307800000 -0.003525200000 -0.119554400000  0.364779900000 -0.113026500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000027100000  0.000552000000 -0.000193200000  0.002163200000  0.023161200000  0.821371500000 -0.456761400000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000008800000 -0.000180200000  0.000065800000 -0.000672500000 -0.005703900000  0.289972800000 -0.200371800000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000001600000  0.000032300000 -0.000011600000  0.000122500000  0.000788000000  0.008460700000  0.782218100000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000600000 -0.000011600000  0.000003900000 -0.000040300000 -0.000272500000 -0.001920200000  0.426246700000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* p-type functions
   26    9    4
  370823890.00000000
   55960854.00000000
   12078576.00000000
    3116104.50000000
     306639.62000000
     920718.16000000
     111343.65000000
      43139.10100000
      17688.12900000
       7644.47660000
       3468.45480000
       1647.57370000
        817.37833000
        422.57661000
        225.98536000
        124.10979000
         70.04369700
         39.66171200
         21.34273300
         11.89699500
          6.46228490
          3.41332310
          1.70526420
          0.82660041
          0.38674833
          0.16221806
  0.000014900000 -0.000008000000 -0.000004300000 -0.000002200000  0.000000900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000043200000 -0.000023300000 -0.000012500000 -0.000006400000  0.000002500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000111600000 -0.000060300000 -0.000032400000 -0.000016400000  0.000006400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000270100000 -0.000146100000 -0.000078600000 -0.000039800000  0.000015600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001347800000 -0.000733400000 -0.000395000000 -0.000200300000  0.000078200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000613600000 -0.000332800000 -0.000179100000 -0.000090800000  0.000035500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.002990000000 -0.001634900000 -0.000881600000 -0.000447300000  0.000174700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006739500000 -0.003708400000 -0.002003200000 -0.001016500000  0.000396800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.015408500000 -0.008560500000 -0.004634900000 -0.002354800000  0.000920000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.035369100000 -0.019913500000 -0.010822200000 -0.005499300000  0.002147400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.079192500000 -0.045558200000 -0.024890000000 -0.012681600000  0.004958500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.162028500000 -0.095988600000 -0.052887800000 -0.026966500000  0.010535900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.274028800000 -0.168589100000 -0.093815900000 -0.048090200000  0.018839400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.330815900000 -0.199800000000 -0.110318900000 -0.056104300000  0.021872500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.233811000000 -0.049843100000 -0.005202300000  0.000395300000 -0.000331900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.073474800000  0.302046600000  0.265766700000  0.154932100000 -0.062758100000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006531800000  0.492378500000  0.457014500000  0.264807100000 -0.106037200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000250700000  0.282162300000  0.066369000000  0.001966300000  0.001680000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000187500000  0.049530900000 -0.602628700000 -0.564714300000  0.257431300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000029200000 -0.001868700000 -0.509109400000 -0.471690200000  0.204904900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000013900000  0.001288900000 -0.098226700000  0.483682200000 -0.315423300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000016200000 -0.000768700000 -0.003214500000  0.693429000000 -0.475163300000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000004700000  0.000309000000 -0.000353000000  0.187897900000  0.066356800000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000002400000 -0.000145400000  0.000082500000  0.006413300000  0.584367600000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000000900000  0.000056400000 -0.000017900000  0.001711100000  0.464011100000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000000200000 -0.000014000000  0.000000200000 -0.000401100000  0.093600200000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* d-type functions
   18    8    3
      33883.21900000
       8462.20610000
       2945.41430000
       1216.58070000
        560.42849000
        280.51156000
        149.61578000
         84.18176800
         48.47018500
         27.10565900
         15.06318700
          8.20715220
          4.35722640
          2.22659410
          1.06480620
          0.39734160
          0.13720912
        433.47259e-4
  0.000213700000  0.000125600000  0.000060000000 -0.000011600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.001346600000  0.000793600000  0.000379200000 -0.000073700000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.006528800000  0.003872800000  0.001855000000 -0.000359200000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.025909600000  0.015500300000  0.007433600000 -0.001445800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.081288300000  0.049424700000  0.023826000000 -0.004615400000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.189727600000  0.116966300000  0.056498600000 -0.011018800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.308064900000  0.186900100000  0.090168800000 -0.017394600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.324976500000  0.164974800000  0.073607300000 -0.014381800000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.209983300000 -0.051313500000 -0.054422000000  0.012167000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.064904500000 -0.385738800000 -0.260005000000  0.052186000000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.003629800000 -0.466355500000 -0.286439500000  0.059009600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000950100000 -0.193071900000  0.155844100000 -0.048468900000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000528600000 -0.021699400000  0.539036900000 -0.130103500000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000170000000 -0.001054300000  0.394568300000 -0.089811600000  0.000000000000  0.000000000000  0.000000000000  0.000000000000
 -0.000086500000  0.000032000000  0.101180700000  0.131316000000  1.000000000000  0.000000000000  0.000000000000  0.000000000000
  0.000022300000 -0.000043100000  0.005176500000  0.383789100000  0.000000000000  1.000000000000  0.000000000000  0.000000000000
 -0.000008500000  0.000013600000 -0.000088000000  0.486174200000  0.000000000000  0.000000000000  1.000000000000  0.000000000000
  0.000002600000 -0.000003800000  0.000049900000  0.303248500000  0.000000000000  0.000000000000  0.000000000000  1.000000000000
* f-type functions
   13    4    1
       2124.28080000
        709.41607000
        300.46753000
        143.66872000
         73.74290200
         39.62764000
         21.69452700
         11.94055500
          6.44173870
          3.30920890
          1.60269060
          0.71663710
          0.28133596
 -0.000394100000 -0.000154100000  0.000000000000  0.000000000000
 -0.003469800000 -0.001359200000  0.000000000000  0.000000000000
 -0.019055400000 -0.007497800000  0.000000000000  0.000000000000
 -0.068875500000 -0.027175200000  0.000000000000  0.000000000000
 -0.173113400000 -0.068494300000  0.000000000000  0.000000000000
 -0.297296400000 -0.112159800000  0.000000000000  0.000000000000
 -0.351268300000 -0.114256400000  0.000000000000  0.000000000000
 -0.253228100000  0.001413100000  0.000000000000  0.000000000000
 -0.091621900000  0.225460900000  0.000000000000  0.000000000000
 -0.011338900000  0.383028400000  0.000000000000  0.000000000000
 -0.000306600000  0.359755000000  0.000000000000  0.000000000000
 -0.000020100000  0.218114800000  1.000000000000  0.000000000000
  0.000001400000  0.068412600000  0.000000000000  1.000000000000
End of Spectral Representation Operator
