File: MCP-DZP

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************************************************************************
* 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 UNK
#Nucleus UNK
#Contraction SEG
#AllElectron NAE

************************************************************************
* This file has been generated from GAMESS basis set data              *
* (version Sep. 30, 2020, some ECPs corrected from higher contractions)*
************************************************************************

/Li.MCP-DZP.Noro.4s3p.2s1p.ECP.1el.
T. Noro, M. Sekiya, T. Koga. Theor. Chim. Acc. 109 (2003) 85-90. doi:10.1007/s00214-002-0425-z
LITHIUM (4s,3p) -> [2s,1p]
*******************************************************************************
* Element : Li
* Basis : MCP segmented  (31/3)
* Effective Charge : 1.0
* Term : 2S   Valence configuration : 1s(1)
* SCF energy : -0.19632372 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, M. Klobukowski, S. Huzinaga,   [inner and valence shell]
* Journal : J. Chem. Phys. 106, 8084-8092 (1997)
* Authors : T. Noro, M. Sekiya, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 109, 85 (2003)
*******************************************************************************
     1.0   1
* s-type functions
    4    2
          9.26822410
          1.07445660
          0.05842780
          0.02176710
  -0.05373070   0.00000000
  -0.21120100   0.00000000
   0.76560650   0.00000000
   0.00000000   1.00000000
* p-type functions
    3    1
          0.52947300
          0.12080800
          0.04759000
   0.01725700
   0.59220200
   0.46198000
M1
  2
   2.71842250   1.06190560
   1.40406970   0.20408430
M2
  0
COREREP
 1.0
PROJOP
    0
    7    1
   4.95548400
  710.57931000
  103.43675000
   24.43300300
    7.30896730
    2.50689360
    0.94380030
    0.37097100
   0.00200950
   0.01482330
   0.06640480
   0.19908010
   0.38191080
   0.38846630
   0.10999670
Spectral Representation Operator
End of Spectral Representation Operator

/Be.MCP-DZP.Noro.4s3p.2s1p.ECP.2el.
T. Noro, M. Sekiya, T. Koga. Theor. Chem. Acc. 98 (1997) 25-32. doi:10.1007/s002140050274
BERYLLIUM (4s,3p) -> [2s,1p]
*******************************************************************************
* Element : Be
* Basis : MCP segmented  (31/3)
* Effective Charge : 2.0
* Term : 1S   Valence configuration : 1s(2)
* SCF energy : -0.96181074 a.u.
* Valence Correlation energy : -0.04362947 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, M. Klobukowski, S. Huzinaga,   [inner and valence shell]
* Journal : J. Chem. Phys. 106, 8084-8092 (1997)
* Authors : T. Noro, M. Sekiya, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 98, 25 (1997)
*******************************************************************************
     2.0   1
* s-type functions
    4    2
         19.75715200
          2.44490940
          0.13959400
          0.04705950
  -0.05381360   0.00000000
  -0.23218770   0.00000000
   0.68820330   0.00000000
   0.00000000   1.00000000
* p-type functions
    3    1
          3.67751800
          0.44970200
          0.12179500
   0.03465100
   0.36158800
   0.73171300
M1
  2
   5.18899210   2.02397980
   0.69860590   0.10611020
M2
  0
COREREP
 1.0
PROJOP
    0
    7    1
   9.46533800
 1311.61550000
  191.38605000
   45.27883300
   13.59732000
    4.71970130
    1.81734410
    0.73401210
   0.00196990
   0.01451970
   0.06534280
   0.19826940
   0.38353070
   0.38450430
   0.10967690
Spectral Representation Operator
End of Spectral Representation Operator

/B.MCP-DZP.Noro.4s4p2d.2s2p1d.ECP.3el.
T. Noro, M. Sekiya, T. Koga. Theor. Chem. Acc. 98 (1997) 25-32. doi:10.1007/s002140050274
BORON (4s,4p,2d) -> [2s,2p,1d]
*******************************************************************************
* Element : B
* Basis : MCP segmented  (31/31/2)
* Effective Charge : 3.0
* Term : 2P   Valence configuration : 1s(2)2p(1)
* SCF energy : -2.54577759 a.u.
* Valence Correlation energy : -0.06030928 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, M. Klobukowski, S. Huzinaga,   [inner and valence shell]
* Journal : J. Chem. Phys. 106, 8084-8092 (1997)
* Authors : T. Noro, M. Sekiya, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 98, 25 (1997)
*******************************************************************************
     3.0   2
* s-type functions
    4    2
         33.50534200
          4.26854150
          0.25387320
          0.08267550
  -0.05873310   0.00000000
  -0.25074270   0.00000000
   0.69362350   0.00000000
   0.00000000   1.00000000
* p-type functions
    4    2
          5.39389860
          1.03225680
          0.27603420
          0.08051870
   0.04383850   0.00000000
   0.24924530   0.00000000
   0.54142630   0.00000000
   0.00000000   1.00000000
* d-type functions
    2    1
          0.76249100
          0.21286200
   0.36259900
   0.76448500
M1
  2
  16.03559900   2.32232870
   0.50623320   0.09362620
M2
  0
COREREP
 1.0
PROJOP
    0
    7    1
  15.39067000
  278.78673000
   38.26329600
    8.57637490
    2.36097790
    3.42618150
    0.29298470
    0.09375140
   0.02477010
   0.16786330
   0.49775700
   0.45427320
  -0.00123540
   0.00855450
   0.00698600
Spectral Representation Operator
End of Spectral Representation Operator

/C.MCP-DZP.Noro.4s4p2d.2s2p1d.ECP.4el.
T. Noro, M. Sekiya, T. Koga. Theor. Chem. Acc. 98 (1997) 25-32. doi:10.1007/s002140050274
CARBON (4s,4p,2d) -> [2s,2p,1d]
*******************************************************************************
* Element : C
* Basis : MCP segmented  (31/31/2)
* Effective Charge : 4.0
* Term : 3P   Valence configuration : 1s(2)2p(2)
* SCF energy : -5.33556532 a.u.
* Valence Correlation energy : -0.07257289 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, M. Klobukowski, S. Huzinaga,   [inner and valence shell]
* Journal : J. Chem. Phys. 106, 8084-8092 (1997)
* Authors : T. Noro, M. Sekiya, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 98, 25 (1997)
*******************************************************************************
     4.0   2
* s-type functions
    4    2
         36.19957800
          5.17968600
          0.43654500
          0.13816150
  -0.08219840   0.00000000
  -0.25857220   0.00000000
   0.64703250   0.00000000
   0.00000000   1.00000000
* p-type functions
    4    2
          8.42813110
          1.65487700
          0.44308380
          0.12620780
   0.04967620   0.00000000
   0.26389810   0.00000000
   0.54247980   0.00000000
   0.00000000   1.00000000
* d-type functions
    2    1
          1.25146300
          0.33779400
   0.35720500
   0.77365200
M1
  2
  18.64605000   3.51210000
   0.39558950   0.05644160
M2
  0
COREREP
 1.0
PROJOP
    0
    7    1
  22.65103600
  409.06987000
   56.16342800
   12.63215600
    3.49533560
    5.40439740
    0.46071150
    0.14364200
   0.02446620
   0.16673090
   0.49850160
   0.45331670
  -0.00129740
   0.00906990
   0.00745680
Spectral Representation Operator
End of Spectral Representation Operator

/N.MCP-DZP.Noro.4s4p2d.2s2p1d.ECP.5el.
T. Noro, M. Sekiya, T. Koga. Theor. Chem. Acc. 98 (1997) 25-32. doi:10.1007/s002140050274
NITROGEN (4s,4p,2d) -> [2s,2p,1d]
*******************************************************************************
* Element : N
* Basis : MCP segmented  (31/31/2)
* Effective Charge : 5.0
* Term : 4S   Valence configuration : 1s(2)2p(3)
* SCF energy : -9.68276973 a.u.
* Valence Correlation energy : -0.08142259 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, M. Klobukowski, S. Huzinaga,   [inner and valence shell]
* Journal : J. Chem. Phys. 106, 8084-8092 (1997)
* Authors : T. Noro, M. Sekiya, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 98, 25 (1997)
*******************************************************************************
     5.0   2
* s-type functions
    4    2
         50.95824100
          7.39423700
          0.62445100
          0.19434270
  -0.08339300   0.00000000
  -0.26448990   0.00000000
   0.64839870   0.00000000
   0.00000000   1.00000000
* p-type functions
    4    2
         12.03645500
          2.40041700
          0.64243000
          0.17985000
   0.05218680   0.00000000
   0.27436130   0.00000000
   0.54251780   0.00000000
   0.00000000   1.00000000
* d-type functions
    2    1
          1.87338400
          0.49392300
   0.35330600
   0.78005000
M1
  2
  27.63930000   5.02210000
   0.31915670   0.05248400
M2
  0
COREREP
 1.0
PROJOP
    0
    7    1
  31.25800000
  563.50938000
   77.38753500
   17.44854900
    4.84350840
    7.82095670
    0.66330180
    0.20294590
   0.02422670
   0.16571010
   0.49798870
   0.45110530
   0.00133460
   0.00941090
   0.00777950
Spectral Representation Operator
End of Spectral Representation Operator

/O.MCP-DZP.Noro.4s4p2d.2s2p1d.ECP.6el.
T. Noro, M. Sekiya, T. Koga. Theor. Chem. Acc. 98 (1997) 25-32. doi:10.1007/s002140050274
OXYGEN (4s,4p,2d) -> [2s,2p,1d]
*******************************************************************************
* Element : O
* Basis : MCP segmented  (31/31/2)
* Effective Charge : 6.0
* Term : 3P   Valence configuration : 1s(2)2p(4)
* SCF energy : -15.71356426 a.u.
* Valence Correlation energy : -0.11070192 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, M. Klobukowski, S. Huzinaga,   [inner and valence shell]
* Journal : J. Chem. Phys. 106, 8084-8092 (1997)
* Authors : T. Noro, M. Sekiya, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 98, 25 (1997)
*******************************************************************************
     6.0   2
* s-type functions
    4    2
         68.22300000
          9.99925000
          0.84936800
          0.26144700
  -0.08369750   0.00000000
  -0.26941880   0.00000000
   0.65251380   0.00000000
   0.00000000   1.00000000
* p-type functions
    4    2
         15.51580700
          3.12594600
          0.82453700
          0.22113600
   0.05562380   0.00000000
   0.29047130   0.00000000
   0.53956070   0.00000000
   0.00000000   1.00000000
* d-type functions
    2    1
          2.61563900
          0.68851800
   0.35203900
   0.78125100
M1
  2
  40.64864000   5.17523000
   0.28259840   0.03639180
M2
  0
COREREP
 1.0
PROJOP
    0
    7    1
  41.33731400
  743.24114000
  102.08699000
   23.05896500
    6.41618600
   10.67802700
    0.90653200
    0.27406100
   0.02413310
   0.16555330
   0.49961640
   0.45179500
  -0.00137670
   0.00976130
   0.00799280
Spectral Representation Operator
End of Spectral Representation Operator

/F.MCP-DZP.Noro.4s4p2d.2s2p1d.ECP.7el.
T. Noro, M. Sekiya, T. Koga. Theor. Chem. Acc. 98 (1997) 25-32. doi:10.1007/s002140050274
FLUORINE (4s,4p,2d) -> [2s,2p,1d]
*******************************************************************************
* Element : F
* Basis : MCP segmented  (31/31/2)
* Effective Charge : 7.0
* Term : 2P   Valence configuration : 1s(2)2p(5)
* SCF energy : -23.97534882 a.u.
* Valence Correlation energy : -0.1375555 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, M. Klobukowski, S. Huzinaga,   [inner and valence shell]
* Journal : J. Chem. Phys. 106, 8084-8092 (1997)
* Authors : T. Noro, M. Sekiya, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 98, 25 (1997)
*******************************************************************************
     7.0   2
* s-type functions
    4    2
         87.94764700
         12.98608500
          1.10574440
          0.33734000
  -0.08459230   0.00000000
  -0.27375230   0.00000000
   0.65608500   0.00000000
   0.00000000   1.00000000
* p-type functions
    4    2
         19.73180300
          4.00408000
          1.04870020
          0.27462770
   0.05901220   0.00000000
   0.30134500   0.00000000
   0.53782970   0.00000000
   0.00000000   1.00000000
* d-type functions
    2    1
          3.49586800
          0.91603000
   0.34963700
   0.78373700
M1
  2
  52.02781200   6.20635390
   0.24505140   0.03285480
M2
  0
COREREP
 1.0
PROJOP
    0
    7    1
  52.76550000
  947.61572000
  130.18410000
   29.44885300
    8.20894150
   13.97557000
    1.18439010
    0.35459670
   0.02401760
   0.16511310
   0.49980400
   0.45149800
  -0.00141120
   0.01005990
   0.00820250
Spectral Representation Operator
End of Spectral Representation Operator

/Ne.MCP-DZP.Noro.4s4p2d.2s2p1d.ECP.8el.
T. Noro, M. Sekiya, T. Koga. Theor. Chem. Acc. 98 (1997) 25-32. doi:10.1007/s002140050274
NEON (4s,4p,2d) -> [2s,2p,1d]
*******************************************************************************
* Element : Ne
* Basis : MCP segmented  (31/31/2)
* Effective Charge : 8.0
* Term : 1S   Valence configuration : 1s(2)2p(6)
* SCF energy : -34.77988686 a.u.
* Valence Correlation energy : -0.16592188 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, M. Klobukowski, S. Huzinaga,   [inner and valence shell]
* Journal : J. Chem. Phys. 106, 8084-8092 (1997)
* Authors : T. Noro, M. Sekiya, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 98, 25 (1997)
*******************************************************************************
     8.0   2
* s-type functions
    4    2
        153.29425000
         20.44460500
          1.27421960
          0.38758430
  -0.06204030   0.00000000
  -0.28256020   0.00000000
   0.69518250   0.00000000
   0.00000000   1.00000000
* p-type functions
    4    2
         24.61984200
          5.02277090
          1.31065690
          0.33828850
   0.06176840   0.00000000
   0.30746950   0.00000000
   0.53682130   0.00000000
   0.00000000   1.00000000
* d-type functions
    2    1
          4.52662700
          1.17755200
   0.34692600
   0.78682300
M1
  2
  54.07667500   7.61297270
   0.20441770   0.02636010
M2
  0
COREREP
 1.0
PROJOP
    0
    7    1
  65.54485000
 1175.86970000
  161.56796000
   36.59069000
   10.21284500
   17.71163300
    1.49732990
    0.44467000
   0.02394740
   0.16489090
   0.50015820
   0.45096870
  -0.00143230
   0.01025660
   0.00835280
Spectral Representation Operator
End of Spectral Representation Operator

/Na.MCP-DZP.Anjima.6s7p.3s2p.ECP.9el.
H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi. J. Comput. Chem. 28 (2007) 2424-2430. doi:10.1002/jcc.20612
SODIUM (6s,7p) -> [3s,2p]
*******************************************************************************
* Element : Na
* Basis : MCP segmented  (551/43)
* Effective Charge : 9.0
* Term : 2S   Valence configuration : 1s(2)2p(6)2s(1)
* SCF energy : -47.68815682 a.u.
* References
* Authors : H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi,   [inner and valence shell]
* Journal : J. Comput. Chem. 28, 2424-2430 (2007)
* Authors : T. Noro, M. Sekiya, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 109, 85 (2003)
*******************************************************************************
     9.0   1
* s-type functions
    6    3
        190.58198000
         25.29215000
          1.60633600
          0.68383580
          0.05243890
          0.02044730
  -0.06512850   0.00901330   0.00000000
  -0.28698360   0.04149020   0.00000000
   0.63848260  -0.11212170   0.00000000
   0.41620290  -0.18361120   0.00000000
   0.04565410   0.72718920   0.00000000
   0.00000000   0.00000000   1.00000000
* p-type functions
    7    2
         32.88733900
          6.86830920
          1.86585380
          0.52215510
          0.55577500
          0.09447300
          0.04036000
   0.05612640   0.00000000
   0.29609200   0.00000000
   0.54260900   0.00000000
   0.34714390   0.00000000
   0.00000000  -0.03670100
   0.00000000   0.64370300
   0.00000000   0.41945500
M1
  3
 585.45929000  57.82101900  19.71450000
   0.08725940   0.07536270   0.03811140
M2
  3
  10.348078e2 531.52041000   2.64567520
   9.29870360   0.23437000   0.01165350
COREREP
 1.0
PROJOP
    0
    7    1
  81.13572800
 1511.21880000
  202.99137000
   45.52568100
   12.64420200
   21.74653000
    1.92086790
    0.61056960
   0.02329970
   0.16164580
   0.49741480
   0.45714290
  -0.00156340
   0.01085950
   0.00877020
Spectral Representation Operator
End of Spectral Representation Operator

/Mg.MCP-DZP.Anjima.6s6p.3s2p.ECP.10el.
H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi. J. Comput. Chem. 28 (2007) 2424-2430. doi:10.1002/jcc.20612
MAGNESIUM (6s,6p) -> [3s,2p]
*******************************************************************************
* Element : Mg
* Basis : MCP segmented  (551/42)
* Effective Charge : 10.0
* Term : 1S   Valence configuration : 1s(2)2p(6)2s(2)
* SCF energy : -62.95909849 a.u.
* Valence Correlation energy : -0.03153174 a.u.
* References
* Authors : H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi,   [inner and valence shell]
* Journal : J. Comput. Chem. 28, 2424-2430 (2007)
* Authors : M. Sekiya, T. Noro, T. Koga, H. Matsuyama,   [valence correlated set]
* Journal : J. Mol. Struct. (Theochem) 451, 51 (1998)
*******************************************************************************
    10.0   1
* s-type functions
    6    3
        228.58527000
         30.45697500
          1.97532460
          0.66698260
          0.09767590
          0.03553150
  -0.06675120   0.01182350   0.00000000
  -0.29958160   0.05605200   0.00000000
   0.73235230  -0.19997920   0.00000000
   0.34879460  -0.18912570   0.00000000
   0.00045360   0.73075110   0.00000000
   0.00000000   0.00000000   1.00000000
* p-type functions
    6    2
         45.54391200
          9.51012300
          2.61847980
          0.75584410
          0.14787000
          0.05515500
   0.04879940   0.00000000
   0.27554300   0.00000000
   0.54707550   0.00000000
   0.35771450   0.00000000
   0.00000000   0.69310700
   0.00000000   0.36989900
M1
  3
 635.92279000  67.18713700  27.53051400
   0.07729590   0.06675990   0.03444470
M2
  3
  11.527313e2 776.82481000   3.22174950
   8.50792120   0.21205450   0.00949060
COREREP
 1.0
PROJOP
    0
    7    1
  98.24808400
 1793.50340000
  242.56680000
   54.57753100
   15.20191000
   26.09297500
    2.38868520
    0.79750600
   0.02328750
   0.16109850
   0.49614580
   0.45814220
  -0.00165430
   0.01123130
   0.00882870
Spectral Representation Operator
End of Spectral Representation Operator

/Al.MCP-DZP.Sekiya.4s4p3d.2s2p1d.ECP.3el.
M. Sekiya, T. Noro, T. Koga, H. Matsuyama. J. Mol. Struct. THEOCHEM 451 (1998) 51-60. doi:10.1016/s0166-1280(98)00175-4
ALUMINIUM (4s,4p,3d) -> [2s,2p,1d]
*******************************************************************************
* Element : Al
* Basis : MCP segmented  (31/31/3)
* Effective Charge : 3.0
* Term : 2P   Valence configuration : 1s(2)2p(1)
* SCF energy : -1.87947754 a.u.
* Valence Correlation energy : -0.04904615 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, M. Klobukowski, S. Huzinaga,   [inner and valence shell]
* Journal : J. Chem. Phys. 106, 8084-8092 (1997)
* Authors : M. Sekiya, T. Noro, T. Koga, H. Matsuyama,   [valence correlated set]
* Journal : J. Mol. Struct. (Theochem) 451, 51 (1998)
*******************************************************************************
     3.0   2
* s-type functions
    4    2
         61.01342500
          1.66771840
          0.14178170
          0.05095710
   0.07108870   0.00000000
  -0.39365650   0.00000000
   0.78872580   0.00000000
   0.00000000   1.00000000
* p-type functions
    4    2
         16.73809500
          3.04805370
          0.17760530
          0.05105210
  -0.04785470   0.00000000
  -0.12752240   0.00000000
   0.55703530   0.00000000
   0.00000000   1.00000000
* d-type functions
    3    1
          2.15045100
          0.32522700
          0.10864000
   0.02721900
   0.47918400
   0.62932000
M1
  3
 131.69528000   5.21732400   2.33145920
   1.12867090   2.01558230   0.12157940
M2
  3
 914.22726000 207.75601000   1.25107970
  38.02286100  14.02683300   0.11166380
COREREP
 1.0
PROJOP
    1
    7    2
  76.05130000   6.38391000
 2043.80760000
  280.93674000
   63.78911500
   17.88862400
   30.61927200
    2.88683820
    0.99935000
   0.02330610   0.00660390
   0.16139190   0.04573120
   0.49584340   0.14049960
   0.45690620   0.12946660
  -0.00172390   0.09566240
   0.01142760  -0.63414550
   0.00865990  -0.48055820
    5    1
   4.18379000
  108.96206000
   23.63035300
    7.10773220
    2.36606390
    0.80250180
   0.01824310
   0.12121050
   0.35717810
   0.49939060
   0.23093030
Spectral Representation Operator
End of Spectral Representation Operator

/Si.MCP-DZP.Sekiya.4s4p3d.2s2p1d.ECP.4el.
M. Sekiya, T. Noro, T. Koga, H. Matsuyama. J. Mol. Struct. THEOCHEM 451 (1998) 51-60. doi:10.1016/s0166-1280(98)00175-4
SILICON (4s,4p,3d) -> [2s,2p,1d]
*******************************************************************************
* Element : Si
* Basis : MCP segmented  (31/31/3)
* Effective Charge : 4.0
* Term : 3P   Valence configuration : 1s(2)2p(2)
* SCF energy : -3.71731711 a.u.
* Valence Correlation energy : -0.06747439 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, M. Klobukowski, S. Huzinaga,   [inner and valence shell]
* Journal : J. Chem. Phys. 106, 8084-8092 (1997)
* Authors : M. Sekiya, T. Noro, T. Koga, H. Matsuyama,   [valence correlated set]
* Journal : J. Mol. Struct. (Theochem) 451, 51 (1998)
*******************************************************************************
     4.0   2
* s-type functions
    4    2
         70.67891000
          2.07634800
          0.20335900
          0.13816150
   0.05714510   0.00000000
  -0.42826180   0.00000000
   0.45774670   0.00000000
   0.00000000   1.00000000
* p-type functions
    4    2
         21.19006000
          3.96269900
          0.26056700
          0.07680330
  -0.05189530   0.00000000
  -0.16851950   0.00000000
   0.60674120   0.00000000
   0.00000000   1.00000000
* d-type functions
    3    1
          2.93987300
          0.47076200
          0.15722200
   0.03185700
   0.48010500
   0.62713900
M1
  3
 134.98630000   4.33571370   4.54790230
   0.83001080   1.47547010  -0.08634170
M2
  3
 854.06377000 211.97610000   0.99809170
  30.45688400   9.55689100   0.08651300
COREREP
 1.0
PROJOP
    1
    7    2
  82.57488000   7.38783600
 2387.95740000
  328.28020000
   74.58612300
   20.94412300
   35.82222300
    3.44462050
    1.22228350
   0.02313730   0.00671920
   0.16045020   0.04659550
   0.49462160   0.14364040
   0.45858020   0.13317380
  -0.00179650   0.09806900
   0.01181110  -0.64476970
   0.00862200  -0.47067890
    5    1
   5.10726480
  134.82278000
   29.36148100
    8.89063490
    3.00034930
    1.03760180
   0.01731180
   0.11697480
   0.35318630
   0.50346340
   0.22874710
Spectral Representation Operator
End of Spectral Representation Operator

/P.MCP-DZP.Sekiya.4s4p3d.2s2p1d.ECP.5el.
M. Sekiya, T. Noro, T. Koga, H. Matsuyama. J. Mol. Struct. THEOCHEM 451 (1998) 51-60. doi:10.1016/s0166-1280(98)00175-4
PHOSPHORUS (4s,4p,3d) -> [2s,2p,1d]
*******************************************************************************
* Element : P
* Basis : MCP segmented  (31/31/3)
* Effective Charge : 5.0
* Term : 4S   Valence configuration : 1s(2)2p(3)
* SCF energy : -6.33528545 a.u.
* Valence Correlation energy : -0.08349258 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, M. Klobukowski, S. Huzinaga,   [inner and valence shell]
* Journal : J. Chem. Phys. 106, 8084-8092 (1997)
* Authors : M. Sekiya, T. Noro, T. Koga, H. Matsuyama,   [valence correlated set]
* Journal : J. Mol. Struct. (Theochem) 451, 51 (1998)
*******************************************************************************
     5.0   2
* s-type functions
    4    2
         81.25610300
          2.51787800
          0.27338900
          0.10006350
   0.03518400   0.00000000
  -0.43408370   0.00000000
   0.76857010   0.00000000
   0.00000000   1.00000000
* p-type functions
    4    2
         26.07870000
          4.97449540
          0.35323730
          0.10560030
  -0.04544400   0.00000000
  -0.15889780   0.00000000
   0.60566870   0.00000000
   0.00000000   1.00000000
* d-type functions
    3    1
          3.83420700
          0.63762200
          0.21286100
   0.03478200
   0.48201300
   0.62444800
M1
  3
 126.99655000   5.12503940   2.84904140
   0.54765150   1.14269650  -0.06703160
M2
  3
  11.691293e2 184.39113000   1.32677630
  15.64780600   5.18971510   0.04728360
COREREP
 1.0
PROJOP
    1
    7    2
  87.96668700   8.26221000
 2759.33690000
  379.37300000
   86.24195900
   24.24595200
   41.46793900
    4.04932730
    1.46209090
   0.02298840   0.00681550
   0.15961620   0.04732200
   0.49352880   0.14631840
   0.46007650   0.13640070
  -0.00185870   0.10014080
   0.01216850  -0.65558570
   0.00855390  -0.46084780
    5    1
   5.94104500
  163.57377000
   35.74203600
   10.88146500
    3.71328930
    1.30400870
   0.01653280
   0.11332410
   0.34933110
   0.50656660
   0.22820300
Spectral Representation Operator
End of Spectral Representation Operator

/S.MCP-DZP.Sekiya.4s4p3d.2s2p1d.ECP.6el.
M. Sekiya, T. Noro, T. Koga, H. Matsuyama. J. Mol. Struct. THEOCHEM 451 (1998) 51-60. doi:10.1016/s0166-1280(98)00175-4
SULFUR (4s,4p,3d) -> [2s,2p,1d]
*******************************************************************************
* Element : S
* Basis : MCP segmented  (31/31/3)
* Effective Charge : 6.0
* Term : 3P   Valence configuration : 1s(2)2p(4)
* SCF energy : -9.94718777 a.u.
* Valence Correlation energy : -0.1081414 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, M. Klobukowski, S. Huzinaga,   [inner and valence shell]
* Journal : J. Chem. Phys. 106, 8084-8092 (1997)
* Authors : M. Sekiya, T. Noro, T. Koga, H. Matsuyama,   [valence correlated set]
* Journal : J. Mol. Struct. (Theochem) 451, 51 (1998)
*******************************************************************************
     6.0   2
* s-type functions
    4    2
         92.69368900
          2.99532660
          0.35397240
          0.12962170
   0.02600000   0.00000000
  -0.46400000   0.00000000
   0.76900000   0.00000000
   0.00000000   1.00000000
* p-type functions
    4    2
         31.77730900
          6.16054770
          0.45462030
          0.13024690
  -0.05600000   0.00000000
  -0.18400000   0.00000000
   0.61400000   0.00000000
   0.00000000   1.00000000
* d-type functions
    3    1
          4.91298100
          0.81632900
          0.27197200
   0.03702000
   0.48037700
   0.62584500
M1
  3
 115.59165000   5.97114120   2.85909020
   0.60336900   0.95621820  -0.07841180
M2
  3
  20.626801e2 148.71381000   1.64401040
   6.29347070   5.71991100   0.03813890
COREREP
 1.0
PROJOP
    1
    7    2
  96.60467200   9.45450450
 3158.03290000
  434.22727000
   98.75946400
   27.79521700
   47.54841400
    4.70344450
    1.72013780
   0.02285570   0.00689740
   0.15886940   0.04794350
   0.49254160   0.14863890
   0.46142780   0.13924940
  -0.00191290   0.10196350
   0.01248980  -0.66573470
   0.00847600  -0.45178650
    5    1
   7.01663550
  193.10309000
   42.29557200
   12.92617600
    4.44630820
    1.57536380
   0.01615640
   0.11184670
   0.34919430
   0.50941850
   0.22319220
Spectral Representation Operator
End of Spectral Representation Operator

/Cl.MCP-DZP.Sekiya.4s4p3d.2s2p1d.ECP.7el.
M. Sekiya, T. Noro, T. Koga, H. Matsuyama. J. Mol. Struct. THEOCHEM 451 (1998) 51-60. doi:10.1016/s0166-1280(98)00175-4
CHLORINE (4s,4p,3d) -> [2s,2p,1d]
*******************************************************************************
* Element : Cl
* Basis : MCP segmented  (31/31/3)
* Effective Charge : 7.0
* Term : 2P   Valence configuration : 1s(2)2p(5)
* SCF energy : -14.81652207 a.u.
* Valence Correlation energy : -0.13442071 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, M. Klobukowski, S. Huzinaga,   [inner and valence shell]
* Journal : J. Chem. Phys. 106, 8084-8092 (1997)
* Authors : M. Sekiya, T. Noro, T. Koga, H. Matsuyama,   [valence correlated set]
* Journal : J. Mol. Struct. (Theochem) 451, 51 (1998)
*******************************************************************************
     7.0   2
* s-type functions
    4    2
        104.97889000
          3.50782000
          0.44380400
          0.16275300
   0.01123430   0.00000000
  -0.52552060   0.00000000
   0.79309400   0.00000000
   0.00000000   1.00000000
* p-type functions
    4    2
         37.78685000
          7.41799800
          0.56676530
          0.16001640
  -0.06787800   0.00000000
  -0.22000180   0.00000000
   0.61435690   0.00000000
   0.00000000   1.00000000
* d-type functions
    3    1
          6.12933800
          1.02429600
          0.34000600
   0.03897900
   0.47968000
   0.62664200
M1
  3
 112.05427000   6.86097770   2.78942900
   0.37923920   0.81531800  -0.09312150
M2
  3
  16.675256e2 107.06773000   3.57455280
   5.02289320   4.69240790   0.14140620
COREREP
 1.0
PROJOP
    1
    7    2
 104.88440000  10.60750000
 3584.29220000
  492.87736000
  112.14646000
   31.59386700
   54.06609800
    5.40564400
    1.99510560
   0.02273480   0.00696620
   0.15818510   0.04846970
   0.49162400   0.15063920
   0.46268290   0.14177130
  -0.00196170   0.10355440
   0.01279160  -0.67525140
   0.00839920  -0.44338510
    5    1
   8.07220000
  223.90776000
   49.16041100
   15.07759300
    5.22226180
    1.86247030
   0.01596170
   0.11122720
   0.35014970
   0.51156470
   0.21760590
Spectral Representation Operator
End of Spectral Representation Operator

/Ar.MCP-DZP.Sekiya.4s4p3d.2s2p1d.ECP.8el.
M. Sekiya, T. Noro, T. Koga, H. Matsuyama. J. Mol. Struct. THEOCHEM 451 (1998) 51-60. doi:10.1016/s0166-1280(98)00175-4
ARGON (4s,4p,3d) -> [2s,2p,1d]
*******************************************************************************
* Element : Ar
* Basis : MCP segmented  (31/31/3)
* Effective Charge : 8.0
* Term : 1S   Valence configuration : 1s(2)2p(6)
* SCF energy : -20.7613479 a.u.
* Valence Correlation energy : -0.16463388 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, M. Klobukowski, S. Huzinaga,   [inner and valence shell]
* Journal : J. Chem. Phys. 106, 8084-8092 (1997)
* Authors : M. Sekiya, T. Noro, T. Koga, H. Matsuyama,   [valence correlated set]
* Journal : J. Mol. Struct. (Theochem) 451, 51 (1998)
*******************************************************************************
     8.0   2
* s-type functions
    4    2
        118.11521000
          4.05586480
          0.54293850
          0.19926560
   0.01822520   0.00000000
  -0.38795510   0.00000000
   0.74056490   0.00000000
   0.00000000   1.00000000
* p-type functions
    4    2
         44.22481200
          8.77077120
          0.69053430
          0.19424850
  -0.01504160   0.00000000
  -0.08304560   0.00000000
   0.64221180   0.00000000
   0.00000000   1.00000000
* d-type functions
    3    1
          7.46160800
          1.25850100
          0.41553000
   0.04070300
   0.47985500
   0.62691300
M1
  3
 309.79693000  14.69381000   1.87082500
   0.32088670   0.37433290   0.08141690
M2
  3
 646.14760000 426.23670000   4.13137150
   8.71372630   4.53538390   0.07915090
COREREP
 1.0
PROJOP
    1
    7    2
 118.61035000  12.32215000
 4037.33960000
  555.23269000
  126.38572000
   35.63779700
   61.01759400
    6.15644340
    2.28713180
   0.02262950   0.00702620
   0.15758310   0.04892750
   0.49080450   0.15238840
   0.46379330   0.14400180
  -0.00200420   0.10495570
   0.01306170  -0.68400820
   0.00832070  -0.43573490
    5    1
   9.57146270
  263.84309000
   58.02922200
   17.85902700
    6.23208870
    2.25024220
   0.01513650
   0.10687530
   0.34330140
   0.51300120
   0.22446740
Spectral Representation Operator
End of Spectral Representation Operator

/K.MCP-DZP.Anjima.7s8p.3s2p.ECP.9el.
H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi. J. Comput. Chem. 28 (2007) 2424-2430. doi:10.1002/jcc.20612
POTASSIUM (7s,8p) -> [3s,2p]
*******************************************************************************
* Element : K
* Basis : MCP segmented  (661/53)
* Effective Charge : 9.0
* Term : 2S   Valence configuration : 1s(2)2p(6)2s(1)
* SCF energy : -27.99808634 a.u.
* References
* Authors : H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi,   [inner and valence shell]
* Journal : J. Comput. Chem. 28, 2424-2430 (2007)
* Authors : T. Noro, M. Sekiya, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 109, 85 (2003)
*******************************************************************************
     9.0   1
* s-type functions
    7    3
        135.63561000
          5.66797250
          2.42664100
          0.72689430
          0.28220800
          0.03361420
          0.01391600
   0.13702030  -0.02167270   0.00000000
  -0.36257830   0.08843320   0.00000000
  -0.29277790   0.04827520   0.00000000
   0.79912390  -0.20176440   0.00000000
   0.45254950  -0.25762480   0.00000000
   0.01986720   0.84248580   0.00000000
   0.00000000   0.00000000   1.00000000
* p-type functions
    8    2
         33.93153000
          6.24540960
          2.02800670
          0.65699960
          0.22232050
          0.25338200
          0.05612100
          0.02517000
  -0.09938950   0.00000000
  -0.28379340   0.00000000
   0.23114610   0.00000000
   0.62491620   0.00000000
   0.33724510   0.00000000
   0.00000000  -0.07299400
   0.00000000   0.69257700
   0.00000000   0.38233200
M1
  3
 264.93730000   9.00873700   3.30959650
   0.64063860   0.49787260   0.01265660
M2
  3
  16.588629e2 708.09116000   4.33889850
  23.87720300   3.35308570   0.33064910
COREREP
 1.0
PROJOP
    1
   10    2
 268.36990000  29.20982800
 5242.44070000
  690.58143000
  153.78629000
   42.86962600
   69.76982000
    7.20773400
    2.83141640
    4.72270370
    0.68353380
    0.26309680
   0.02076870   0.00657290
   0.14572680   0.04611970
   0.47230420   0.14947520
   0.49092320   0.15536780
  -0.00320420   0.10316390
   0.02020530  -0.65054730
   0.01433470  -0.46153350
   0.00435940   0.00224650
  -0.01531960  -0.00789460
  -0.00812040  -0.00418470
    7    1
  23.06219200
  176.58454000
   38.03642100
   11.24585000
    3.70030350
    1.44738900
    0.52368420
    0.19066070
   0.03630650
   0.22236070
   0.52941130
   0.39568570
   0.00664500
   0.01114940
   0.00448660
Spectral Representation Operator
End of Spectral Representation Operator

/Ca.MCP-DZP.Anjima.7s7p.3s2p.ECP.10el.
H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi. J. Comput. Chem. 28 (2007) 2424-2430. doi:10.1002/jcc.20612
CALCIUM (7s,7p) -> [3s,2p]
*******************************************************************************
* Element : Ca
* Basis : MCP segmented  (661/52)
* Effective Charge : 10.0
* Term : 1S   Valence configuration : 1s(2)2p(6)2s(2)
* SCF energy : -36.38052312 a.u.
* Valence Correlation energy : -0.02473 a.u.
* References
* Authors : H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi,   [inner and valence shell]
* Journal : J. Comput. Chem. 28, 2424-2430 (2007)
* Authors : M. Sekiya, T. Noro, Y. Osanai, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 106, 297 (2001)
*******************************************************************************
    10.0   1
* s-type functions
    7    3
        151.57552000
          6.35278320
          2.49789940
          0.89442680
          0.36078010
          0.05993950
          0.02397230
   0.14799500  -0.02873900   0.00000000
  -0.41872080   0.11901050   0.00000000
  -0.30263210   0.07144400   0.00000000
   0.82671020  -0.28223950   0.00000000
   0.46145840  -0.29829180   0.00000000
   0.02208980   0.75920490   0.00000000
   0.00000000   0.00000000   1.00000000
* p-type functions
    7    2
         42.52201900
          8.04307370
          2.63101280
          0.86422260
          0.29962710
          0.07550300
          0.02707700
  -0.09929820   0.00000000
  -0.29610800   0.00000000
   0.17599150   0.00000000
   0.64447730   0.00000000
   0.34741600   0.00000000
   0.00000000   0.84971300
   0.00000000   0.19387000
M1
  3
 257.17081000  10.36515100  25.60159300
   0.64904450   0.48105740   0.00204360
M2
  3
  15.196495e2  46.224767e2   5.66419340
  12.74242500   0.95042250   0.24868480
COREREP
 1.0
PROJOP
    1
   10    2
 300.34640000  33.93690000
 5903.41430000
  773.82933000
  171.92855000
   47.88637700
   77.92160300
    8.12268500
    3.22020920
    5.43897190
    0.81487640
    0.32805790
   0.02062090   0.00660210
   0.14480510   0.04636190
   0.47108930   0.15082740
   0.49286440   0.15779910
  -0.00327200   0.10401690
   0.02057090  -0.65394530
   0.01442710  -0.45863680
   0.00436700   0.00242630
  -0.01505650  -0.00836510
  -0.00734970  -0.00408340
    7    1
  27.29158000
  202.59132000
   43.70604600
   12.97832500
    4.30394220
    1.72417530
    0.64133080
    0.24051140
   0.03526070
   0.21824250
   0.52734270
   0.39934940
   0.00734900
   0.01194100
   0.00412450
Spectral Representation Operator
End of Spectral Representation Operator

/Ti.MCP-DZP.Noro.6s6p6d.2s2p3d.ECP.10el.
T. Noro, M. Sekiya, T. Koga, H. Matsuyama. Theor. Chem. Acc. 104 (2000) 146-152. doi:10.1007/s002140000126
TITANIUM (6s,6p,6d) -> [2s,2p,3d]
*******************************************************************************
* Element : Ti
* Basis : MCP segmented  (51/42/411)
* Effective Charge : 10.0
* Term : 3F   Valence configuration : 1s(2)3d(2)
* SCF energy : -37.87512204 a.u.
* Valence Correlation energy : -0.03076931 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, M. Klobukowski, S. Huzinaga,   [inner and valence shell]
* Journal : J. Comput. Chem. 8, 256-264 (1987)
* Authors : T. Noro, M. Sekiya, T. Koga, H. Matsuyama,   [valence correlated set]
* Journal : Theor. Chem. Acc. 104, 146 (2000)
*******************************************************************************
    10.0   2
* s-type functions
    6    2
        177.26900000
          6.85077000
          0.98468400
          0.43576600
          0.06935440
          0.02715740
  -0.02368800   0.00000000
   0.13141150   0.00000000
  -0.24001020   0.00000000
  -0.22170710   0.00000000
   0.65987020   0.00000000
   0.00000000   1.00000000
* p-type functions
    6    2
         73.75660000
         15.08480000
          1.37036000
          0.43543900
          0.11685900
          0.04468700
  -0.07882710   0.00000000
  -0.27281450   0.00000000
   0.67515230   0.00000000
   0.41104590   0.00000000
   0.00000000   0.73829000
   0.00000000   0.31704100
* d-type functions
    6    3
         16.33510000
          3.99368000
          1.21301000
          0.36583900
          0.10309900
          0.05154950
   0.04078330   0.00000000   0.00000000
   0.19585840   0.00000000   0.00000000
   0.42237880   0.00000000   0.00000000
   0.46467540   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   1.00000000
M1
  3
 234.16770000   7.21721700   1.39479400
   0.57574500   0.27313440   0.05662780
M2
  3
  16.164383e2  39.98456800   0.87459910
  62.19972000   5.04020700   0.06756360
COREREP
 1.0
PROJOP
    1
   10    3
 366.22137000  42.47665200   5.40002000
 6457.64350000
  888.77241000
  202.61383000
   57.43678300
   92.92071100
    9.89517150
    3.96534140
    6.94432200
    1.06143880
    0.41303990
   0.02087310   0.00675330   0.00270800
   0.14668100   0.04745740   0.01902990
   0.47163440   0.15259350   0.06118820
   0.48782460   0.15783170   0.06328870
  -0.00342690   0.10937340   0.04481630
   0.02097970  -0.66958290  -0.27436480
   0.01394140  -0.44495030  -0.18232050
   0.00466720   0.00239300  -0.24049580
  -0.01573860  -0.00806970   0.81099770
  -0.00784570  -0.00402280   0.40428310
    7    1
  35.22096000
  250.33874000
   54.57096100
   16.38289100
    5.50524930
    2.28868350
    0.84508870
    0.30890920
   0.03449110
   0.21646600
   0.52839370
   0.39647520
   0.00763630
   0.01190520
   0.00421140
Spectral Representation Operator
End of Spectral Representation Operator

/Ga.MCP-DZP.Sekiya.7s6p7d.3s3p2d.ECP.13el.
M. Sekiya, T. Noro, Y. Osanai, T. Koga. Theor. Chem. Acc. 106 (2001) 297-300. doi:10.1007/s002140100278
GALLIUM (7s,6p,7d) -> [3s,3p,2d]
*******************************************************************************
* Element : Ga
* Basis : MCP segmented  (412/312/52)
* Effective Charge : 13.0
* Term : 2P   Valence configuration : 1s(2)2p(1)
* SCF energy : -78.37580751 a.u.
* Valence Correlation energy : -0.04607909 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 106, 297 (2001)
*******************************************************************************
    13.0   2
* s-type functions
    7    3
        400.40663000
         12.19355100
          8.85606510
          1.66709830
          0.18250160
          0.07600030
          0.04347160
  -0.02889970   0.00000000   0.00000000
   0.37214650   0.00000000   0.00000000
  -0.25953040   0.00000000   0.00000000
  -0.43896660   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.34971700
   0.00000000   0.00000000   0.09505320
* p-type functions
    6    3
         54.81410000
          3.07556140
          1.11824570
          0.27063620
          0.09650530
          0.03540960
   0.05640360   0.00000000   0.00000000
  -0.14482720   0.00000000   0.00000000
  -0.04639310   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.55599050
   0.00000000   0.00000000   0.28802500
* d-type functions
    7    2
         55.74442400
         14.72136100
          4.83822720
          1.60624470
          0.49300480
          0.30924500
          0.10713200
   0.04435310   0.00000000
   0.20816350   0.00000000
   0.43011850   0.00000000
   0.45518340   0.00000000
   0.20447030   0.00000000
   0.00000000   0.49356800
   0.00000000   0.61435800
M1
  3
 141.96174000   6.98149380   1.45922200
   0.77776460   0.38253720   0.12758740
M2
  3
 903.02061000  60.42701900   1.53884580
   7.48768250   4.95294180   0.06057450
COREREP
 1.0
PROJOP
    1
   12    3
 768.06648000  98.64056000  13.16262800
17532.57800000
 2141.32090000
  459.09012000
  125.66133000
  204.16308000
   22.11364800
    9.05530010
   16.91566100
    2.66804830
    1.06796700
    0.15860980
    0.05313910
   0.01905670   0.00659850   0.00255200
   0.13427130   0.04649210   0.01798130
   0.45594630   0.15787350   0.06105940
   0.51649330   0.17883820   0.06916770
  -0.00406650   0.10592120   0.04757100
   0.02596770  -0.67638810  -0.30377750
   0.01693820  -0.44119440  -0.19814800
   0.00553400   0.00297270  -0.25021050
  -0.01796430  -0.00964980   0.81222740
  -0.00930770  -0.00499980   0.42083310
   0.00000000   0.00139430   0.00320720
   0.00000000   0.00047560   0.00109390
    9    2
  85.57641600   9.05291460
  589.75724000
  127.40999000
   38.58081100
   13.19409800
    6.04050320
    2.28519390
    0.87850180
    0.21910030
    0.05724710
   0.03154580   0.01315670
   0.20544780   0.08568570
   0.52627900   0.21949400
   0.40247550   0.16785960
   0.00950370  -0.38875130
   0.01448960  -0.59270380
   0.00529450  -0.21657380
  -0.00264810  -0.00205890
  -0.00339530  -0.00263980
Spectral Representation Operator
End of Spectral Representation Operator

/Ge.MCP-DZP.Sekiya.7s6p7d.3s3p2d.ECP.14el.
M. Sekiya, T. Noro, Y. Osanai, T. Koga. Theor. Chem. Acc. 106 (2001) 297-300. doi:10.1007/s002140100278
GERMANIUM (7s,6p,7d) -> [3s,3p,2d]
*******************************************************************************
* Element : Ge
* Basis : MCP segmented  (412/312/52)
* Effective Charge : 14.0
* Term : 3P   Valence configuration : 1s(2)2p(2)
* SCF energy : -94.63280326 a.u.
* Valence Correlation energy : -0.05991254 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 106, 297 (2001)
*******************************************************************************
    14.0   2
* s-type functions
    7    3
        428.75263000
         13.49180000
          9.38049590
          1.87257860
          0.23652500
          0.16192360
          0.07683230
  -0.03110480   0.00000000   0.00000000
   0.34972590   0.00000000   0.00000000
  -0.21905570   0.00000000   0.00000000
  -0.49305100   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.20411990
   0.00000000   0.00000000   0.33983880
* p-type functions
    6    3
         59.20822700
          3.32769850
          1.07696190
          0.35940340
          0.13355260
          0.05015950
   0.06571060   0.00000000   0.00000000
  -0.18061600   0.00000000   0.00000000
  -0.06321740   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.56155630
   0.00000000   0.00000000   0.25736630
* d-type functions
    7    2
         64.68981000
         17.23871600
          5.74528800
          1.95628290
          0.62347290
          0.39613300
          0.14101400
   0.04148310   0.00000000
   0.20000630   0.00000000
   0.42195560   0.00000000
   0.46240140   0.00000000
   0.20170130   0.00000000
   0.00000000   0.50580300
   0.00000000   0.59790100
M1
  3
 127.46825000   7.95701940   1.63789540
   0.64414360   0.36587800   0.11748600
M2
  3
 739.58166000  59.24677700   1.50561660
  11.64264400   3.76357210   0.05682070
COREREP
 1.0
PROJOP
    1
   12    3
 822.40226000 106.94675000  14.81280600
19065.56400000
 2310.58130000
  493.35716000
  134.72874000
  219.08054000
   23.79342400
    9.77438050
   18.26866900
    2.89925190
    1.18238760
    0.19976040
    0.06722310
   0.01896750   0.00659910   0.00257920
   0.13357870   0.04647410   0.01816390
   0.45502740   0.15831110   0.06187400
   0.51815100   0.18027280   0.07045750
  -0.00409740   0.10572240   0.04804060
   0.02617000  -0.67524170  -0.30683220
   0.01714600  -0.44240370  -0.20102980
   0.00554510   0.00314250  -0.25300700
  -0.01792440  -0.01015810   0.81783770
  -0.00914570  -0.00518310   0.41729290
   0.00000000   0.00171750   0.00336600
   0.00000000   0.00053440   0.00104740
    9    2
  93.15437200  10.42315200
  638.78633000
  137.92394000
   41.79843600
   14.32062100
    6.58545490
    2.51746390
    0.99124600
    0.28937700
    0.08092120
   0.03114220   0.01319480
   0.20358730   0.08625880
   0.52478630   0.22234900
   0.40480520   0.17151370
   0.00995960  -0.38983910
   0.01516610  -0.59363400
   0.00543170  -0.21260980
  -0.00310030  -0.00217830
  -0.00352220  -0.00247480
Spectral Representation Operator
End of Spectral Representation Operator

/As.MCP-DZP.Sekiya.7s6p7d.3s3p2d.ECP.15el.
M. Sekiya, T. Noro, Y. Osanai, T. Koga. Theor. Chem. Acc. 106 (2001) 297-300. doi:10.1007/s002140100278
ARSENIC (7s,6p,7d) -> [3s,3p,2d]
*******************************************************************************
* Element : As
* Basis : MCP segmented  (412/312/52)
* Effective Charge : 15.0
* Term : 4S   Valence configuration : 1s(2)2p(3)
* SCF energy : -112.61028246 a.u.
* Valence Correlation energy : -0.071256 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 106, 297 (2001)
*******************************************************************************
    15.0   2
* s-type functions
    7    3
        457.25026000
         15.78669000
          7.95264500
          2.04222750
          0.31238670
          0.18682200
          0.08682300
  -0.03400460   0.00000000   0.00000000
   0.25876000   0.00000000   0.00000000
  -0.12188760   0.00000000   0.00000000
  -0.53538820   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.40386300
   0.00000000   0.00000000   0.26373020
* p-type functions
    6    3
         63.77154200
          3.60523070
          1.05087070
          0.45486190
          0.17087810
          0.06519740
   0.07399030   0.00000000   0.00000000
  -0.21277680   0.00000000   0.00000000
  -0.08457230   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.56613660
   0.00000000   0.00000000   0.23714520
* d-type functions
    7    2
         73.80344300
         19.80830300
          6.67302060
          2.31699190
          0.75904040
          0.48611600
          0.17640800
   0.03755340   0.00000000
   0.18741540   0.00000000
   0.42092310   0.00000000
   0.46762160   0.00000000
   0.19885020   0.00000000
   0.00000000   0.51916800
   0.00000000   0.58157500
M1
  3
 142.29581000   8.20405540   1.70525760
   0.65451910   0.33290220   0.10687790
M2
  3
 879.20998000  70.59449700   1.73224070
   9.30935680   3.97933070   0.05084070
COREREP
 1.0
PROJOP
    1
   12    3
 878.72548000 115.64659000  16.55615800
20701.19600000
 2488.95890000
  529.20534000
  144.16915000
  234.63293000
   25.54504000
   10.52815300
   19.68156000
    3.14054890
    1.30116790
    0.24359960
    0.08270040
   0.01888090   0.00659930   0.00260660
   0.13288870   0.04644740   0.01834570
   0.45410050   0.15871780   0.06269010
   0.51982120   0.18168870   0.07176310
  -0.00412810   0.10547750   0.04849270
   0.02637490  -0.67390760  -0.30982540
   0.01736750  -0.44375960  -0.20401610
   0.00556340   0.00331800  -0.25594390
  -0.01795710  -0.01070950   0.82611520
  -0.00894230  -0.00533310   0.41138890
   0.00000000   0.00202280   0.00349700
   0.00000000   0.00060570   0.00104710
    9    2
 101.09504000  11.87562600
  690.43018000
  148.97663000
   45.17936900
   15.50622100
    7.15132740
    2.75811020
    1.10648980
    0.36083280
    0.10520650
   0.03074250   0.01322950
   0.20170720   0.08680120
   0.52321150   0.22515500
   0.40723720   0.17524750
   0.01045330  -0.39216040
   0.01587570  -0.59558650
   0.00551440  -0.20687780
  -0.00354400  -0.00220770
  -0.00371530  -0.00231440
Spectral Representation Operator
End of Spectral Representation Operator

/Se.MCP-DZP.Sekiya.7s6p7d.3s3p2d.ECP.16el.
M. Sekiya, T. Noro, Y. Osanai, T. Koga. Theor. Chem. Acc. 106 (2001) 297-300. doi:10.1007/s002140100278
SELENIUM (7s,6p,7d) -> [3s,3p,2d]
*******************************************************************************
* Element : Se
* Basis : MCP segmented  (412/312/52)
* Effective Charge : 16.0
* Term : 3P   Valence configuration : 1s(2)2p(4)
* SCF energy : -131.1173015 a.u.
* Valence Correlation energy : -0.0909078 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 106, 297 (2001)
*******************************************************************************
    16.0   2
* s-type functions
    7    3
        488.60045000
         16.93125100
          8.81617020
          2.27609070
          0.37254950
          0.21997390
          0.10192730
  -0.03932690   0.00000000   0.00000000
   0.29595190   0.00000000   0.00000000
  -0.14079590   0.00000000   0.00000000
  -0.58136380   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.41692010
   0.00000000   0.00000000   0.25019730
* p-type functions
    6    3
         68.53262000
          3.90479220
          1.09438460
          0.52676290
          0.19578110
          0.07361570
   0.08449960   0.00000000   0.00000000
  -0.24351100   0.00000000   0.00000000
  -0.08496230   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.55489160
   0.00000000   0.00000000   0.22379150
* d-type functions
    7    2
         81.06462500
         21.94419400
          7.47608730
          2.64500010
          0.88935110
          0.56534200
          0.20821200
   0.03480830   0.00000000
   0.16160560   0.00000000
   0.41649020   0.00000000
   0.48808580   0.00000000
   0.18939190   0.00000000
   0.00000000   0.52512400
   0.00000000   0.57316900
M1
  3
 151.15154000  12.36041000   3.65761110
   0.65123840   0.24296490   0.06933340
M2
  3
 645.48739000  74.42746600   2.99727980
  13.36820200   4.99706440   0.35536870
COREREP
 1.0
PROJOP
    1
   12    3
 937.09502000 124.78739000  18.43686000
22445.64400000
 2676.84500000
  566.68179000
  153.98987000
  250.85827000
   27.36320000
   11.30876500
   21.15398700
    3.39329850
    1.42469050
    0.29169120
    0.09918830
   0.08593210   0.00659920   0.00263370
   0.12912390   0.04641310   0.01852300
   0.44261650   0.15909670   0.06349400
   0.50936290   0.18308850   0.07306890
   0.00406130   0.10518350   0.04891410
   0.02597830  -0.67280750  -0.31287980
   0.01717920  -0.44492060  -0.20690410
   0.00545930   0.00345760  -0.25898550
  -0.01762070  -0.01115970   0.83591220
  -0.00852120  -0.00539670   0.40423800
   0.00000000   0.00219060   0.00363870
   0.00000000   0.00063680   0.00105780
    9    2
 109.44400000  13.45466600
  744.87059000
  160.60407000
   48.73444400
   16.75489400
    7.73832140
    3.00621140
    1.22248440
    0.43500640
    0.12346150
   0.03034140   0.01325440
   0.19978170   0.08727280
   0.52152260   0.22782240
   0.40980880   0.17902120
   0.01099820  -0.39538040
   0.01664550  -0.59839550
   0.00556000  -0.19987920
  -0.00407740  -0.00212630
  -0.00409730  -0.00213660
Spectral Representation Operator
End of Spectral Representation Operator

/Br.MCP-DZP.Sekiya.7s6p7d.3s3p2d.ECP.17el.
M. Sekiya, T. Noro, Y. Osanai, T. Koga. Theor. Chem. Acc. 106 (2001) 297-300. doi:10.1007/s002140100278
BROMINE (7s,6p,7d) -> [3s,3p,2d]
*******************************************************************************
* Element : Br
* Basis : MCP segmented  (412/312/52)
* Effective Charge : 17.0
* Term : 2P   Valence configuration : 1s(2)2p(5)
* SCF energy : -153.03719568 a.u.
* Valence Correlation energy : -0.11107671 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 106, 297 (2001)
*******************************************************************************
    17.0   2
* s-type functions
    7    3
        521.11188000
         18.46534900
          8.65100540
          2.48499480
          0.44136690
          0.25072610
          0.11674870
  -0.04268160   0.00000000   0.00000000
   0.29290050   0.00000000   0.00000000
  -0.12998630   0.00000000   0.00000000
  -0.61472700   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.44649500
   0.00000000   0.00000000   0.22980760
* p-type functions
    6    3
         73.46538000
          4.22308990
          1.12144450
          0.60293820
          0.22420240
          0.08448630
   0.09075170   0.00000000   0.00000000
  -0.26640940   0.00000000   0.00000000
  -0.09299490   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.54399960
   0.00000000   0.00000000   0.20898610
* d-type functions
    7    2
         87.72113300
         23.95176900
          8.24795210
          2.96786330
          1.01966970
          0.65568700
          0.24454100
   0.03587450   0.00000000
   0.16268660   0.00000000
   0.41705220   0.00000000
   0.48689690   0.00000000
   0.18066120   0.00000000
   0.00000000   0.53297000
   0.00000000   0.56324900
M1
  3
 151.19243000  12.25936100   4.07322740
   0.59097330   0.19652680   0.06127300
M2
  3
 761.53761000  72.83256300   3.26622510
  17.81014700   5.08167740   0.35644870
COREREP
 1.0
PROJOP
    1
   12    3
 997.46640000 134.31659000  20.40189000
24305.48800000
 2874.65310000
  605.83585000
  164.19839000
  267.70391000
   29.27410600
   12.14839400
   22.69054500
    3.65681920
    1.55211690
    0.34270240
    0.11721070
   0.01871590   0.00659920   0.00266030
   0.13151730   0.04637300   0.01869360
   0.45222320   0.15945400   0.06427820
   0.52319660   0.18447920   0.07436620
  -0.00418830   0.10486420   0.04930920
   0.02678200  -0.67054810  -0.31530510
   0.01785400  -0.44701640  -0.21019600
   0.00561550   0.00370920  -0.26191360
  -0.01815140  -0.01198940   0.84659780
  -0.00849340  -0.00561010   0.39614120
   0.00000000   0.00269540   0.00377450
   0.00000000   0.00077910   0.00109090
    9    2
 118.14688000  15.10810700
  801.49742000
  172.66922000
   52.41922500
   18.04917100
    8.34795040
    3.26489240
    1.34237600
    0.51404650
    0.14562940
   0.02998250   0.01328690
   0.19804890   0.08776630
   0.52001890   0.23044870
   0.41210750   0.18262730
   0.01149150  -0.39906780
   0.01730970  -0.60111470
   0.00555240  -0.19281780
  -0.00439630  -0.00205300
  -0.00425680  -0.00198780
Spectral Representation Operator
End of Spectral Representation Operator

/Kr.MCP-DZP.Sekiya.7s6p7d.3s3p2d.ECP.18el.
M. Sekiya, T. Noro, Y. Osanai, T. Koga. Theor. Chem. Acc. 106 (2001) 297-300. doi:10.1007/s002140100278
KRYPTON (7s,6p,7d) -> [3s,3p,2d]
*******************************************************************************
* Element : Kr
* Basis : MCP segmented  (412/312/52)
* Effective Charge : 18.0
* Term : 1S   Valence configuration : 1s(2)2p(6)
* SCF energy : -176.86371081 a.u.
* Valence Correlation energy : -0.13011862 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 106, 297 (2001)
*******************************************************************************
    18.0   2
* s-type functions
    7    3
        554.75641000
         20.21821700
          7.51338280
          2.61466510
          0.52239990
          0.28263780
          0.13423310
  -0.04437690   0.00000000   0.00000000
   0.28269220   0.00000000   0.00000000
  -0.13720300   0.00000000   0.00000000
  -0.62976010   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.46072460
   0.00000000   0.00000000   0.22095040
* p-type functions
    6    3
         78.57669800
          4.55975840
          1.15975050
          0.67343200
          0.25298320
          0.09639490
   0.09588210   0.00000000   0.00000000
  -0.28770060   0.00000000   0.00000000
  -0.09353740   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.53107870
   0.00000000   0.00000000   0.19222440
* d-type functions
    7    2
         93.78921800
         25.81470500
          8.98154220
          3.28364400
          1.14933390
          0.75376500
          0.28339300
   0.03586650   0.00000000
   0.16178390   0.00000000
   0.41985530   0.00000000
   0.48497270   0.00000000
   0.17260300   0.00000000
   0.00000000   0.54031500
   0.00000000   0.55456500
M1
  3
 161.13328000  12.56126500   4.27820880
   0.53233850   0.17879900   0.05765500
M2
  3
 859.27159000  85.03966100   3.46369570
  19.87048900   5.58304480   0.34028370
COREREP
 1.0
PROJOP
    1
   12    3
  10.598524e2 144.23735000  22.45287800
26287.74600000
 3082.82150000
  646.71957000
  174.80267000
  285.27435000
   31.24910000
   13.00959000
   24.28823700
    3.93234070
    1.68339570
    0.39672450
    0.13670400
   0.01863780   0.00659930   0.00268600
   0.13083630   0.04632650   0.01885540
   0.45127210   0.15978650   0.06503480
   0.52490120   0.18585710   0.07564580
  -0.00421760   0.10449400   0.04965930
   0.02699640  -0.66885020  -0.31786130
   0.01810860  -0.44865150  -0.21321500
   0.00564890   0.00389340  -0.26485530
  -0.01829790  -0.01261160   0.85791220
  -0.00826720  -0.00569810   0.38761490
   0.00000000   0.00297350   0.00390700
   0.00000000   0.00086440   0.00113580
    9    2
 127.20478000  16.83757800
  860.85890000
  185.28780000
   56.26984100
   19.40290700
    8.98160010
    3.53436560
    1.46588700
    0.59770620
    0.17058390
   0.02963210   0.01331180
   0.19633210   0.08819930
   0.51848600   0.23292220
   0.41442940   0.18617630
   0.01200030  -0.40294270
   0.01798030  -0.60373780
   0.00553630  -0.18589770
  -0.00471800  -0.00197710
  -0.00442950  -0.00185620
Spectral Representation Operator
End of Spectral Representation Operator

/Rb.MCP-DZP.Anjima.8s9p.3s2p.ECP.9el.
H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi. J. Comput. Chem. 28 (2007) 2424-2430. doi:10.1002/jcc.20612
RUBIDIUM (8s,9p) -> [3s,2p]
*******************************************************************************
* Element : Rb
* Basis : MCP segmented  (771/63)
* Effective Charge : 9.0
* Term : 2S   Valence configuration : 1s(2)2p(6)2s(1)
* SCF energy : -23.82978851 a.u.
* References
* Authors : H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi,   [inner and valence shell]
* Journal : J. Comput. Chem. 28, 2424-2430 (2007)
* Authors : T. Noro, M. Sekiya, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 109, 85 (2003)
*******************************************************************************
     9.0   1
* s-type functions
    8    3
        589.90768000
         21.78933200
          7.30695990
          2.83144880
          0.52802480
          0.21523210
          0.03072770
          0.01311340
  -0.07051670   0.01437760   0.00000000
   0.34895620  -0.07397840   0.00000000
  -0.21925050   0.04846300   0.00000000
  -0.61825040   0.14380100   0.00000000
   0.78904730  -0.23733210   0.00000000
   0.43501430  -0.27151980   0.00000000
   0.00006860   0.84793020   0.00000000
   0.00000000   0.00000000   1.00000000
* p-type functions
    9    2
        267.04547000
         56.37995300
          6.74712050
          3.90295600
          0.59577610
          0.19879220
          0.19630100
          0.04839300
          0.02216400
   0.03385470   0.00000000
   0.10069870   0.00000000
  -0.15770140   0.00000000
  -0.18309830   0.00000000
   0.64618850   0.00000000
   0.46438600   0.00000000
   0.00000000  -0.09496200
   0.00000000   0.71563700
   0.00000000   0.36953000
M1
  3
 197.25077000   9.16689680   4.13021560
   1.79456510   0.93943040   0.25151530
M2
  3
  42.276478e2  73.37569200   2.61400020
 173.65739000  10.44761100   0.30094660
COREREP
 1.0
PROJOP
    2
   13    3
  11.248125e2 155.09318000  25.12550200
28403.64000000
 3302.12830000
  689.43235000
  185.81948000
  303.62291000
   33.28095600
   13.87792700
   25.94689700
    4.22300240
    1.82338280
    2.97584520
    0.53216850
    0.21335340
   0.01856010   0.00659870   0.00271090
   0.13014820   0.04627150   0.01900970
   0.45030170   0.16009530   0.06577200
   0.52663750   0.18723490   0.07692170
  -0.00424720   0.10407270   0.04996970
   0.02726190  -0.66801460  -0.32074200
   0.01834520  -0.44952230  -0.21583460
   0.00569100   0.00378660  -0.26801210
  -0.01846060  -0.01228320   0.86938310
  -0.00807230  -0.00537110   0.38015490
   0.00000000  -0.00075280  -0.00108980
   0.00000000   0.00243590   0.00352640
   0.00000000   0.00121330   0.00175650
   10    2
 137.15801000  19.17408300
  924.12233000
  198.70921000
   60.36521900
   20.84714000
    9.64579450
    3.82142160
    1.60112200
    0.83685810
    0.33300430
    0.13034700
   0.02923580   0.01330390
   0.19433540   0.08843330
   0.51653810   0.23505310
   0.41726220   0.18987710
   0.01266210  -0.40611600
   0.01887070  -0.60524480
   0.00563120  -0.18061050
  -0.00362020  -0.00141020
  -0.00468970  -0.00182690
  -0.00143140  -0.00055760
    4    1
   9.29089660
   68.93451600
   18.06657200
    5.74581480
    1.82450150
   0.07038520
   0.32980330
   0.55636190
   0.31480720
Spectral Representation Operator
End of Spectral Representation Operator

/Sr.MCP-DZP.Anjima.8s8p.3s2p.ECP.10el.
H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi. J. Comput. Chem. 28 (2007) 2424-2430. doi:10.1002/jcc.20612
STRONTIUM (8s,8p) -> [3s,2p]
*******************************************************************************
* Element : Sr
* Basis : MCP segmented  (771/62)
* Effective Charge : 10.0
* Term : 1S   Valence configuration : 1s(2)2p(6)2s(2)
* SCF energy : -30.40350256 a.u.
* Valence Correlation energy : -0.02056112 a.u.
* References
* Authors : H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi,   [inner and valence shell]
* Journal : J. Comput. Chem. 28, 2424-2430 (2007)
* Authors : M. Sekiya, T. Noro, Y. Osanai, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 106, 297 (2001)
*******************************************************************************
    10.0   1
* s-type functions
    8    3
        627.31637000
         23.14060200
          7.82405320
          3.06540820
          0.61464310
          0.26329600
          0.05427490
          0.02227570
  -0.07406710   0.01853240   0.00000000
   0.37212740  -0.09693300   0.00000000
  -0.23668320   0.06386290   0.00000000
  -0.65957040   0.19379590   0.00000000
   0.81135830  -0.33283110   0.00000000
   0.43531850  -0.31054290   0.00000000
  -0.00314540   0.75000100   0.00000000
   0.00000000   0.00000000   1.00000000
* p-type functions
    8    2
        285.09341000
         60.23220600
          7.05737330
          4.09142860
          0.69285770
          0.24376450
          0.06033100
          0.02073400
   0.03582620   0.00000000
   0.10950110   0.00000000
  -0.19280480   0.00000000
  -0.18019640   0.00000000
   0.67159680   0.00000000
   0.43734220   0.00000000
   0.00000000   0.89108400
   0.00000000   0.14573700
M1
  3
 206.87925000   9.92957900   4.89473730
   1.59543570   0.87069050   0.22145330
M2
  3
  42.319155e2  75.11102400   2.78312710
 157.08760000   9.03143680   0.27194130
COREREP
 1.0
PROJOP
    2
   13    3
  11.918657e2 166.39379000  27.92654600
30654.55700000
 3532.53020000
  733.96009000
  197.24608000
  322.63418000
   35.41886400
   14.82114000
   27.67433800
    4.52698680
    1.96830090
    3.27311840
    0.61074650
    0.25672130
   0.01848750   0.00659940   0.00273570
   0.12947150   0.04621650   0.01915850
   0.44932800   0.16039320   0.06648910
   0.52836920   0.18860800   0.07818520
  -0.00427620   0.10363660   0.05025610
   0.02747390  -0.66585650  -0.32289110
   0.01862950  -0.45150300  -0.21894550
   0.00573100   0.00397270  -0.27091880
  -0.01861230  -0.01290220   0.87985520
  -0.00788270  -0.00546430   0.37263490
   0.00000000  -0.00088580  -0.00116760
   0.00000000   0.00275900   0.00363660
   0.00000000   0.00125120   0.00164920
   10    2
 147.51473000  21.62622000
  990.17815000
  212.68381000
   64.62358200
   22.34841700
   10.33288200
    4.11727750
    1.73895320
    0.95179090
    0.39048270
    0.15396140
   0.02886170   0.01329470
   0.19243640   0.08864270
   0.51467360   0.23707610
   0.41997990   0.19345690
   0.01329740  -0.40966290
   0.01969940  -0.60689500
   0.00568460  -0.17512850
  -0.00407320  -0.00140830
  -0.00495550  -0.00171330
  -0.00122160  -0.00042240
    4    1
  11.18643300
   75.80085900
   19.96109900
    6.40522180
    2.06540190
   0.06823040
   0.32504680
   0.55736630
   0.31511350
Spectral Representation Operator
End of Spectral Representation Operator

/In.MCP-DZP.Sekiya.8s7p8d.3s3p2d.ECP.13el.
M. Sekiya, T. Noro, Y. Osanai, T. Koga. Theor. Chem. Acc. 106 (2001) 297-300. doi:10.1007/s002140100278
INDIUM (8s,7p,8d) -> [3s,3p,2d]
*******************************************************************************
* Element : In
* Basis : MCP segmented  (512/412/62)
* Effective Charge : 13.0
* Term : 2P   Valence configuration : 1s(2)2p(1)
* SCF energy : -57.492821 a.u.
* Valence Correlation energy : -0.03958974 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 106, 297 (2001)
*******************************************************************************
    13.0   2
* s-type functions
    8    3
       1137.24110000
         44.79398400
          8.12312950
          1.68931200
          0.94858130
          0.17261650
          0.08247100
          0.04101410
   0.01931690   0.00000000   0.00000000
  -0.10940960   0.00000000   0.00000000
   0.30968940   0.00000000   0.00000000
  -0.30240780   0.00000000   0.00000000
  -0.36182940   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.44945460
   0.00000000   0.00000000   0.16010960
* p-type functions
    7    3
        162.91105000
         11.08898100
          1.95221390
          0.61574490
          0.28491680
          0.09282550
          0.03346020
  -0.02787710   0.00000000   0.00000000
   0.10074240   0.00000000   0.00000000
  -0.20309330   0.00000000   0.00000000
  -0.13485190   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.60417200
   0.00000000   0.00000000   0.32537010
* d-type functions
    8    2
        127.85717000
         37.24200300
         14.38783300
          2.67764630
          1.04357850
          0.35436790
          0.21208500
          0.07943900
  -0.03010810   0.00000000
  -0.12608500   0.00000000
  -0.16625790   0.00000000
   0.38303230   0.00000000
   0.54604000   0.00000000
   0.24174270   0.00000000
   0.00000000   0.57268300
   0.00000000   0.52263900
M1
  3
 214.54749000   6.23509190   1.18871510
   2.17409980   0.69552990   0.17880050
M2
  3
  16.511028e2  37.56033000   1.10909490
   9.54293100   6.53981720   0.09211770
COREREP
 1.0
PROJOP
    2
   13    4
  20.673992e2 316.23400000  62.85930400  10.62056100
67902.79500000
 7040.32590000
 1375.40320000
  355.82550000
  590.30322000
   64.25357000
   27.48527100
   51.34544200
    8.69919860
    3.84817300
    7.64179270
    1.65384110
    0.70057510
   0.01776520   0.00659820   0.00293410   0.00126200
   0.12134200   0.04506770   0.02004110   0.00862020
   0.43558780   0.16178190   0.07194250   0.03094420
   0.55026160   0.20437300   0.09088230   0.03909070
  -0.00475440   0.09628460   0.05042910   0.02245990
   0.03199120  -0.64788270  -0.33932880  -0.15112850
   0.02311090  -0.46803850  -0.24513530  -0.10917710
   0.00730710   0.00498490  -0.29443380  -0.16889340
  -0.02421650  -0.01652060   0.97578230   0.55972910
  -0.00756740  -0.00516250   0.30492270   0.17491000
   0.00000000  -0.00134720  -0.00108810   0.37970490
   0.00000000   0.00348070   0.00281140  -0.98103970
   0.00000000   0.00141960   0.00114660  -0.40011630
   10    3
 283.57658000  51.85447400   7.16362900
 1947.78170000
  411.64543000
  124.77473000
   43.65494400
   19.60851400
    8.10802930
    3.48130360
    2.66939790
    1.15392220
    0.46959890
   0.02528840   0.01278310   0.00534350
   0.17309320   0.08749700   0.03657470
   0.49300220   0.24920810   0.10417170
   0.44653010   0.22571690   0.09435210
   0.02358730  -0.43781340  -0.25941900
   0.03359210  -0.62351710  -0.36945470
   0.00695270  -0.12905220  -0.07646770
  -0.01161570  -0.00112740   0.54285500
  -0.01259830  -0.00122280   0.58877880
  -0.00277890  -0.00026970   0.12987050
    7    1
  34.73983400
  181.18995000
   49.31153500
   16.86080500
    6.10614800
    4.08803890
    1.35983600
    0.42195640
   0.04897800
   0.26952380
   0.54706220
   0.35046250
   0.00658090
   0.01290440
   0.00712900
Spectral Representation Operator
End of Spectral Representation Operator

/Sn.MCP-DZP.Sekiya.8s7p8d.3s3p2d.ECP.14el.
M. Sekiya, T. Noro, Y. Osanai, T. Koga. Theor. Chem. Acc. 106 (2001) 297-300. doi:10.1007/s002140100278
TIN (8s,7p,8d) -> [3s,3p,2d]
*******************************************************************************
* Element : Sn
* Basis : MCP segmented  (512/412/62)
* Effective Charge : 14.0
* Term : 3P   Valence configuration : 1s(2)2p(2)
* SCF energy : -69.0271382 a.u.
* Valence Correlation energy : -0.05190169 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 106, 297 (2001)
*******************************************************************************
    14.0   2
* s-type functions
    8    3
       1196.77260000
         46.89287700
          8.62799890
          1.91376790
          1.12667830
          0.20609100
          0.11339780
          0.05763880
   0.02143610   0.00000000   0.00000000
  -0.12102080   0.00000000   0.00000000
   0.34132570   0.00000000   0.00000000
  -0.24934400   0.00000000   0.00000000
  -0.47615160   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.38611690
   0.00000000   0.00000000   0.23530970
* p-type functions
    7    3
        172.02382000
         11.37496000
          2.73569250
          1.28499860
          0.23538060
          0.09754970
          0.03981400
  -0.03305370   0.00000000   0.00000000
   0.12634190   0.00000000   0.00000000
  -0.13856610   0.00000000   0.00000000
  -0.19192280   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.53098730
   0.00000000   0.00000000   0.20977480
* d-type functions
    8    2
        184.52791000
         50.37842000
         17.36772800
          2.68458570
          1.03915190
          0.36984110
          0.26091300
          0.10037500
  -0.01939520   0.00000000
  -0.10614360   0.00000000
  -0.20023220   0.00000000
   0.44852170   0.00000000
   0.52427470   0.00000000
   0.18036570   0.00000000
   0.00000000   0.59498200
   0.00000000   0.49507500
M1
  3
 239.93797000   6.88017010   1.33305550
   2.09061540   0.64206230   0.17840150
M2
  3
  31.586491e2  42.06144600   1.23516100
   6.33362720   6.48305140   0.08985210
COREREP
 1.0
PROJOP
    2
   13    4
  21.606716e2 333.02815000  67.17553200  11.77164400
72666.14700000
 7458.57700000
 1448.04800000
  373.13416000
  620.62066000
   67.45249500
   28.88902200
   53.96234700
    9.16445200
    4.04898670
    8.11606490
    1.77704230
    0.76573930
   0.01773960   0.00661090   0.00295360   0.00128730
   0.12075150   0.04499970   0.02010470   0.00876230
   0.43452240   0.16193090   0.07234640   0.03153090
   0.55203530   0.20572370   0.09191190   0.04005820
  -0.00477170   0.09546550   0.05025420   0.02268720
   0.03228040  -0.64582070  -0.33996810  -0.15347840
   0.02349410  -0.47003760  -0.24743370  -0.11170380
   0.00737160   0.00504840  -0.29598890  -0.17268770
  -0.02445260  -0.01674620   0.98184020   0.57283150
  -0.00749790  -0.00513490   0.30106210   0.17564760
   0.00000000  -0.00135800  -0.00102200   0.38706360
   0.00000000   0.00348080   0.00261960  -0.99210010
   0.00000000   0.00139770   0.00105190  -0.39838560
   10    3
 298.72182000  55.64155300   8.10416160
 2041.79190000
  430.72747000
  130.44356000
   45.58117400
   20.63008100
    8.53951760
    3.66129070
    2.86554120
    1.25138010
    0.51735730
   0.02532200   0.01288250   0.00548330
   0.17328100   0.08815610   0.03752310
   0.49365580   0.25114560   0.10689850
   0.44707310   0.22744680   0.09681130
   0.02258030  -0.44186300  -0.26769750
   0.03189180  -0.62407560  -0.37808880
   0.00645410  -0.12629640  -0.07651520
  -0.01038300  -0.00106790   0.55024440
  -0.01116470  -0.00114830   0.59166740
  -0.00232920  -0.00023950   0.12343230
    7    1
  37.84609200
  193.00103000
   52.60604900
   18.04452200
    6.57029300
    4.53881630
    1.55029590
    0.50023910
   0.04796830
   0.26621390
   0.54597170
   0.35299130
   0.00674270
   0.01352710
   0.00727420
Spectral Representation Operator
End of Spectral Representation Operator

/Sb.MCP-DZP.Sekiya.8s7p8d.3s3p2d.ECP.15el.
M. Sekiya, T. Noro, Y. Osanai, T. Koga. Theor. Chem. Acc. 106 (2001) 297-300. doi:10.1007/s002140100278
ANTIMONY (8s,7p,8d) -> [3s,3p,2d]
*******************************************************************************
* Element : Sb
* Basis : MCP segmented  (512/412/62)
* Effective Charge : 15.0
* Term : 4S   Valence configuration : 1s(2)2p(3)
* SCF energy : -81.9211089 a.u.
* Valence Correlation energy : -0.05926742 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 106, 297 (2001)
*******************************************************************************
    15.0   2
* s-type functions
    8    3
       1258.73750000
         49.04561900
          9.16846770
          1.92801370
          1.20660630
          0.24157020
          0.12829600
          0.06636970
   0.02383240   0.00000000   0.00000000
  -0.13130690   0.00000000   0.00000000
   0.36260710   0.00000000   0.00000000
  -0.29713330   0.00000000   0.00000000
  -0.47862480   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.40686940
   0.00000000   0.00000000   0.19893630
* p-type functions
    7    3
        179.96267000
         12.16623800
          2.52842940
          1.06543220
          0.36883840
          0.14853010
          0.05748450
  -0.03869300   0.00000000   0.00000000
   0.13944340   0.00000000   0.00000000
  -0.22038010   0.00000000   0.00000000
  -0.18820300   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.60596820
   0.00000000   0.00000000   0.27025790
* d-type functions
    8    2
        194.91964000
         53.28818400
         18.44267800
          2.91543950
          1.15571820
          0.42230670
          0.31063000
          0.12175900
  -0.02197810   0.00000000
  -0.12104670   0.00000000
  -0.20157710   0.00000000
   0.45397710   0.00000000
   0.51750020   0.00000000
   0.17106670   0.00000000
   0.00000000   0.61456200
   0.00000000   0.47144200
M1
  3
 266.86362000   7.49516780   1.05597430
   1.99472890   0.59586820   0.13529630
M2
  3
  34.154512e2  45.47132200   1.92297790
   9.00486070   7.81707830   0.08902100
COREREP
 1.0
PROJOP
    2
   13    4
  22.562691e2 350.33645000  71.64708300  12.96119700
77729.52000000
 7897.73740000
 1523.59540000
  391.00890000
  651.87657000
   70.85474300
   30.46330800
   56.67781000
    9.64219890
    4.25599420
    8.60767710
    1.90415590
    0.83206640
   0.01771780   0.00662510   0.00297320   0.00131240
   0.12016680   0.04493330   0.02016530   0.00890080
   0.43344530   0.16207580   0.07273690   0.03210530
   0.55381590   0.20708540   0.09293640   0.04102120
  -0.00478980   0.09464970   0.05007030   0.02290310
   0.03246280  -0.64149070  -0.33935300  -0.15522670
   0.02397550  -0.47377560  -0.25063050  -0.11464330
   0.00742270   0.00535700  -0.29719780  -0.17624950
  -0.02465180  -0.01779130   0.98703420   0.58534850
  -0.00742970  -0.00536200   0.29747710   0.17641510
   0.00000000  -0.00158280  -0.00094410   0.39444390
   0.00000000   0.00403550   0.00240710  -1.00568830
   0.00000000   0.00158190   0.00094360  -0.39423940
   10    3
 314.29937000  59.56349500   9.07473580
 2140.15540000
  450.63383000
  136.34882000
   47.58959200
   21.68046200
    8.98416550
    3.84638500
    3.06779050
    1.35214540
    0.56506120
   0.02533110   0.01296610   0.00561500
   0.17332190   0.08871760   0.03841940
   0.49409440   0.25291020   0.10952350
   0.44775720   0.22919180   0.09925220
   0.02173860  -0.44565550  -0.27581030
   0.03046360  -0.62452310  -0.38650920
   0.00603910  -0.12380620  -0.07662200
  -0.00937450  -0.00098620   0.55861070
  -0.00997240  -0.00104910   0.59423750
  -0.00195870  -0.00020610   0.11671320
    7    1
  41.07232100
  188.03386000
   51.03533100
   17.34697200
    6.16632280
    5.02772450
    1.77912870
    0.58813180
   0.05516420
   0.29549080
   0.56657160
   0.31059560
   0.00077680
   0.00161750
   0.00086730
Spectral Representation Operator
End of Spectral Representation Operator

/Te.MCP-DZP.Sekiya.8s7p8d.3s3p2d.ECP.16el.
M. Sekiya, T. Noro, Y. Osanai, T. Koga. Theor. Chem. Acc. 106 (2001) 297-300. doi:10.1007/s002140100278
TELLURIUM (8s,7p,8d) -> [3s,3p,2d]
*******************************************************************************
* Element : Te
* Basis : MCP segmented  (512/412/62)
* Effective Charge : 16.0
* Term : 3P   Valence configuration : 1s(2)2p(4)
* SCF energy : -95.63444453 a.u.
* Valence Correlation energy : -0.07599839 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 106, 297 (2001)
*******************************************************************************
    16.0   2
* s-type functions
    8    3
       1323.24570000
         51.26040700
          9.72393040
          2.05771760
          1.36287600
          0.27897870
          0.16216560
          0.08175480
   0.02662910   0.00000000   0.00000000
  -0.14145950   0.00000000   0.00000000
   0.38570190   0.00000000   0.00000000
  -0.27088570   0.00000000   0.00000000
  -0.55729250   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.37979550
   0.00000000   0.00000000   0.24291230
* p-type functions
    7    3
        188.74545000
         12.75249800
          2.89479940
          1.37728470
          0.36694710
          0.15634930
          0.06169830
  -0.04230320   0.00000000   0.00000000
   0.15064690   0.00000000   0.00000000
  -0.20194650   0.00000000   0.00000000
  -0.22139040   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.55404180
   0.00000000   0.00000000   0.23586800
* d-type functions
    8    2
        205.81944000
         56.33698400
         19.56532700
          3.15080550
          1.27440720
          0.47585740
          0.34967800
          0.13912300
  -0.02143210   0.00000000
  -0.10716100   0.00000000
  -0.19519240   0.00000000
   0.45564850   0.00000000
   0.53072130   0.00000000
   0.14959140   0.00000000
   0.00000000   0.63167400
   0.00000000   0.45085800
M1
  3
 242.96536000   2.06311290   0.90807430
   2.14407660   0.25926970   0.05363230
M2
  3
  32.689747e2  42.55696100   3.75070230
  27.67589900  10.96627300   0.03529940
COREREP
 1.0
PROJOP
    2
   13    4
  23.542536e2 368.20357000  76.31344300  14.22698400
83104.34400000
 8358.39470000
 1602.10110000
  409.45728000
  684.58194000
   74.27984500
   31.97229000
   59.47033500
   10.13791500
    4.46811320
    9.11557300
    2.03579460
    0.89983240
   0.01770100   0.00664090   0.00299320   0.00133720
   0.11959380   0.04486800   0.02022270   0.00903490
   0.43236210   0.16220930   0.07311030   0.03266340
   0.55559280   0.20844180   0.09394810   0.04197300
  -0.00480540   0.09378190   0.04984210   0.02308640
   0.03275260  -0.63919920  -0.33971400  -0.15735210
   0.02438900  -0.47597620  -0.25296620  -0.11717140
   0.00748940   0.00542680  -0.29856900  -0.17983890
  -0.02489260  -0.01803700   0.99236100   0.59773510
  -0.00738010  -0.00534760   0.29421430   0.17721600
   0.00000000  -0.00159780  -0.00084390   0.40177390
   0.00000000   0.00405940   0.00214400  -1.02073490
   0.00000000   0.00154580   0.00081650  -0.38870260
   10    3
 330.34971000  63.65855300  10.11302500
 2242.91970000
  471.36795000
  142.49065000
   49.68055800
   22.75951100
    9.44064630
    4.03458070
    3.27647980
    1.45622530
    0.61299790
   0.02531960   0.01303600   0.00573800
   0.17323690   0.08919200   0.03925940
   0.49434440   0.25451600   0.11202970
   0.44856010   0.23094370   0.10165400
   0.02104680  -0.44925700  -0.28373510
   0.02927810  -0.62495980  -0.39470290
   0.00568970  -0.12145070  -0.07670400
  -0.00854800  -0.00086890   0.56759470
  -0.00898120  -0.00091290   0.59635760
  -0.00165860  -0.00016860   0.11012950
    7    1
  44.45650100
  217.71134000
   59.49578900
   20.52316700
    7.54504480
    5.45985880
    1.94219900
    0.66172770
   0.04618220
   0.26028030
   0.54393980
   0.35753820
   0.00706960
   0.01465450
   0.00752060
Spectral Representation Operator
End of Spectral Representation Operator

/I.MCP-DZP.Sekiya.8s7p8d.3s3p2d.ECP.17el.
M. Sekiya, T. Noro, Y. Osanai, T. Koga. Theor. Chem. Acc. 106 (2001) 297-300. doi:10.1007/s002140100278
IODINE (8s,7p,8d) -> [3s,3p,2d]
*******************************************************************************
* Element : I
* Basis : MCP segmented  (512/412/62)
* Effective Charge : 17.0
* Term : 2P   Valence configuration : 1s(2)2p(5)
* SCF energy : -111.68605005 a.u.
* Valence Correlation energy : -0.09318581 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 106, 297 (2001)
*******************************************************************************
    17.0   2
* s-type functions
    8    3
       1389.76220000
         53.56926400
         10.28700500
          2.07838740
          1.45621550
          0.30391790
          0.14845650
          0.08042680
   0.03135800   0.00000000   0.00000000
  -0.15990650   0.00000000   0.00000000
   0.42712400   0.00000000   0.00000000
  -0.40773930   0.00000000   0.00000000
  -0.46177350   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.40702460
   0.00000000   0.00000000   0.11793580
* p-type functions
    7    3
        199.50456000
         12.12878100
          7.06240710
          2.06798560
          0.34258450
          0.14589610
          0.06171120
  -0.04889680   0.00000000   0.00000000
   0.23604430   0.00000000   0.00000000
  -0.12142230   0.00000000   0.00000000
  -0.36530640   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.47428370
   0.00000000   0.00000000   0.15654140
* d-type functions
    8    2
        217.16616000
         59.51167400
         20.73279000
          3.39043700
          1.39448720
          0.52917920
          0.39450800
          0.15875200
  -0.02323280   0.00000000
  -0.12738140   0.00000000
  -0.20879160   0.00000000
   0.47391640   0.00000000
   0.50844060   0.00000000
   0.14540280   0.00000000
   0.00000000   0.64788300
   0.00000000   0.43167400
M1
  3
 272.01897000   2.26308560   1.05325920
   2.16268760   0.22603550   0.04745270
M2
  3
  51.046243e2  40.31470400   2.64756910
  20.55972500  10.81005500   0.01927680
COREREP
 1.0
PROJOP
    2
   13    4
  24.546048e2 386.59357000  81.13431300  15.52913200
88811.93800000
 8841.80830000
 1683.70010000
  428.49749000
  718.56380000
   77.82164600
   33.53386100
   62.35374200
   10.64915800
    4.68594850
    9.64053010
    2.17192540
    0.96858450
   0.01768880   0.00665830   0.00301340   0.00136190
   0.11903030   0.04480450   0.02027750   0.00916410
   0.43127020   0.16233550   0.07346940   0.03320350
   0.55737050   0.20980130   0.09495140   0.04291200
  -0.00482010   0.09289100   0.04958850   0.02324460
   0.03304250  -0.63678630  -0.33993870  -0.15934620
   0.02481790  -0.47828460  -0.25532490  -0.11968350
   0.00755700   0.00549980  -0.29985000  -0.18330400
  -0.02513610  -0.01829320   0.99735730   0.60970330
  -0.00733940  -0.00534140   0.29121470   0.17802500
   0.00000000  -0.00161590  -0.00072680   0.40899630
   0.00000000   0.00409680   0.00184270  -1.03693220
   0.00000000   0.00150920   0.00067890  -0.38200050
   10    3
 346.83248000  67.88546700  11.17960100
 2349.96400000
  492.89604000
  148.85701000
   51.84959400
   23.86824400
    9.90955760
    4.22688970
    3.49191960
    1.56386370
    0.66124460
   0.02529390   0.01309520   0.00585320
   0.17306240   0.08959810   0.04004820
   0.49445750   0.25599130   0.11442190
   0.44943010   0.23267960   0.10400210
   0.02047720  -0.45266020  -0.29144100
   0.02829030  -0.62537490  -0.40264170
   0.00539470  -0.11925290  -0.07677980
  -0.00786380  -0.00072160   0.57693150
  -0.00815080  -0.00074790   0.59799020
  -0.00141640  -0.00013000   0.10391400
    7    1
  47.95663300
  209.62822000
   57.01583800
   19.47107900
    6.97252500
    6.04235040
    2.21576580
    0.76329740
   0.05407730
   0.29283440
   0.56729060
   0.31077340
   0.00067700
   0.00148910
   0.00077600
Spectral Representation Operator
End of Spectral Representation Operator

/Xe.MCP-DZP.Sekiya.8s7p8d.3s3p2d.ECP.18el.
M. Sekiya, T. Noro, Y. Osanai, T. Koga. Theor. Chem. Acc. 106 (2001) 297-300. doi:10.1007/s002140100278
XENON (8s,7p,8d) -> [3s,3p,2d]
*******************************************************************************
* Element : Xe
* Basis : MCP segmented  (512/412/62)
* Effective Charge : 18.0
* Term : 1S   Valence configuration : 1s(2)2p(6)
* SCF energy : -128.80575307 a.u.
* Valence Correlation energy : -0.10577613 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, T. Koga,   [valence correlated set]
* Journal : Theor. Chem. Acc. 106, 297 (2001)
*******************************************************************************
    18.0   2
* s-type functions
    8    3
       1459.25900000
         55.93393700
         10.87022800
          2.21432940
          1.63879900
          0.34726910
          0.19030370
          0.10011950
   0.03311640   0.00000000   0.00000000
  -0.16849580   0.00000000   0.00000000
   0.44505760   0.00000000   0.00000000
  -0.35769230   0.00000000   0.00000000
  -0.54422330   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.39761470
   0.00000000   0.00000000   0.18056050
* p-type functions
    7    3
        207.52644000
         13.76701600
          4.27270590
          1.97579040
          0.42803120
          0.18622160
          0.07604040
  -0.05323820   0.00000000   0.00000000
   0.19292870   0.00000000   0.00000000
  -0.14108440   0.00000000   0.00000000
  -0.33025410   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.51671360
   0.00000000   0.00000000   0.18598980
* d-type functions
    8    2
        228.85114000
         62.78869200
         21.93966900
          3.63546940
          1.51673200
          0.58277730
          0.44265000
          0.17931500
  -0.02644110   0.00000000
  -0.14125650   0.00000000
  -0.21931410   0.00000000
   0.47109020   0.00000000
   0.50846290   0.00000000
   0.13770060   0.00000000
   0.00000000   0.66123200
   0.00000000   0.41621000
M1
  3
 257.66605000   2.18931060   0.99591890
   1.96605470   0.18657020   0.03786710
M2
  3
  39.718284e2  41.14561900   3.69864630
  35.40606400  10.84185000   0.01876640
COREREP
 1.0
PROJOP
    2
   13    4
  25.573482e2 405.51465000  86.11296900  16.87033900
94872.14000000
 9349.12410000
 1768.51170000
  448.14755000
  753.87479000
   81.48399300
   35.14964900
   65.33041000
   11.17612700
    4.90965300
   10.18269800
    2.31287570
    1.03842030
   0.01768120   0.00667740   0.00303400   0.00138620
   0.11847630   0.04474290   0.02032990   0.00928840
   0.43016960   0.16245480   0.07381470   0.03372470
   0.55914770   0.21116380   0.09594670   0.04383640
  -0.00483390   0.09197720   0.04931000   0.02337700
   0.03333340  -0.63425180  -0.34002950  -0.16120200
   0.02526340  -0.48070050  -0.25770890  -0.12217530
   0.00762590   0.00557610  -0.30104230  -0.18663800
  -0.02538340  -0.01856060   1.00203970   0.62123730
  -0.00730720  -0.00534310   0.28845920   0.17883680
   0.00000000  -0.00163690  -0.00059410   0.41608000
   0.00000000   0.00414530   0.00150450  -1.05370740
   0.00000000   0.00147390   0.00053500  -0.37465880
   10    3
 363.75122000  72.24632600  12.27707400
 2501.28600000
  523.53083000
  158.01520000
   55.07621700
   25.10058600
   10.43496500
    4.44757930
    3.72364570
    1.68057400
    0.71310270
   0.02463870   0.01282340   0.00581540
   0.16922990   0.08807670   0.03994290
   0.48904540   0.25452660   0.11542800
   0.45616580   0.23741420   0.10766760
   0.02225370  -0.45008260  -0.29545940
   0.03103880  -0.62776040  -0.41209690
   0.00588090  -0.11894190  -0.07808010
  -0.00950140  -0.00056330   0.58402320
  -0.00977240  -0.00057940   0.60068100
  -0.00161870  -0.00009600   0.09949650
    7    1
  51.57423000
  243.89666000
   66.79119900
   23.15134900
    8.58212040
    6.41949910
    2.35419970
    0.83171580
   0.04465140
   0.25510940
   0.54209270
   0.36151530
   0.00737900
   0.01564340
   0.00772030
Spectral Representation Operator
End of Spectral Representation Operator

/Cs.MCP-DZP.Anjima.9s10p.3s2p.ECP.9el.
H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi. J. Comput. Chem. 28 (2007) 2424-2430. doi:10.1002/jcc.20612
CAESIUM (9s,10p) -> [3s,2p]
*******************************************************************************
* Element : Cs
* Basis : MCP segmented  (881/73)
* Effective Charge : 9.0
* Term : 2S   Valence configuration : 1s(2)2p(6)2s(1)
* SCF energy : -20.06836254 a.u.
* References
* Authors : H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi,   [inner and valence shell]
* Journal : J. Comput. Chem. 28, 2424-2430 (2007)
* Authors : T. Noro, M. Sekiya, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Chem. Phys. 119, 5142 (2003)
*******************************************************************************
     9.0   1
* s-type functions
    9    3
       1531.43610000
         58.36625900
         11.48228300
          2.11757050
          1.62280110
          0.35830800
          0.15226570
          0.02674010
          0.01195890
   0.04330480  -0.00701350   0.00000000
  -0.19687990   0.03604220   0.00000000
   0.51132160  -0.10567860   0.00000000
  -0.83243830   0.22651410   0.00000000
  -0.13559090   0.01529420   0.00000000
   0.91044210  -0.33404060   0.00000000
   0.35500800  -0.26034810   0.00000000
   0.00209200   0.86196720   0.00000000
   0.00000000   0.00000000   1.00000000
* p-type functions
   10    2
        710.84519000
        149.24821000
         16.11354700
          2.71229710
          1.10880450
          0.43861910
          0.15328470
          0.21706300
          0.03530200
          0.01503000
  -0.01692410   0.00000000
  -0.05611610   0.00000000
   0.20570290   0.00000000
  -0.45891730   0.00000000
  -0.04508000   0.00000000
   0.65698450   0.00000000
   0.49188990   0.00000000
   0.00000000  -0.12546200
   0.00000000   0.84378100
   0.00000000   0.23167600
M1
  3
 261.08512000   6.66715930   2.79068810
   2.91989820   1.53196760   0.57384690
M2
  3
  41.272087e2  72.15527800   1.76886390
 218.83730000  10.18973700   0.57633220
COREREP
 1.0
PROJOP
    2
   14    4
  26.629386e2 425.40118000  91.67656200  18.67287200
   10.134212e4
 9885.61710000
 1857.53600000
  468.65590000
  790.85690000
   85.13080300
   36.55143500
   71.89563300
   10.40967500
   12.33535100
    1.95198370
    2.17073130
    0.34388000
    0.14432690
   0.01767310   0.00669600   0.00306360   0.00138360
   0.11788840   0.04466560   0.02043590   0.00922900
   0.42891600   0.16250800   0.07435260   0.03357820
   0.56093390   0.21252710   0.09723780   0.04391340
  -0.00486490   0.09102690   0.04822100   0.02623180
   0.03392920  -0.63484600  -0.33630590  -0.18294780
   0.02572930  -0.48141910  -0.25502890  -0.13873370
   0.00755330   0.00470840  -0.29061880  -0.15623660
  -0.03193140  -0.01990430   1.22857640   0.66048230
   0.00000000  -0.00074460  -0.02675610   0.43936790
   0.00000000   0.00216330   0.07773680  -1.27653290
   0.00000000   0.00000000   0.00586830   0.01624830
   0.00000000   0.00000000  -0.01336890  -0.03701660
   0.00000000   0.00000000  -0.00428720  -0.01187070
   10    3
 381.53502000  77.16552400  13.82416700
 2648.63920000
  553.21647000
  166.89974000
   58.29617600
   25.00555300
    9.64342840
    3.78957070
    1.51424970
    0.48124350
    0.16339280
   0.02417880   0.01261790   0.00579350
   0.16648640   0.08688240   0.03989190
   0.48485660   0.25302680   0.11617680
   0.46032220   0.24022330   0.11029810
   0.02779510  -0.51491080  -0.34390010
   0.03438400  -0.63697230  -0.42542280
  -0.01120610  -0.02770860   0.66573270
  -0.00968580  -0.02394940   0.57541310
   0.00000000   0.00678470   0.01181800
   0.00000000   0.00564060   0.00982510
    7    2
  55.73397600   6.50896400
  257.51229000
   70.58273400
   24.51873100
    9.12286440
    6.95310590
    2.59128380
    0.93440170
   0.04397850   0.01919440
   0.25281330   0.11034030
   0.54125690   0.23623130
   0.36326270   0.15854580
   0.00742510  -0.29881980
   0.01600310  -0.64403950
   0.00790680  -0.31820570
Spectral Representation Operator
End of Spectral Representation Operator

/Ba.MCP-DZP.Anjima.9s10p.3s2p.ECP.10el.
H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi. J. Comput. Chem. 28 (2007) 2424-2430. doi:10.1002/jcc.20612
BARIUM (9s,10p) -> [3s,2p]
*******************************************************************************
* Element : Ba
* Basis : MCP segmented  (881/73)
* Effective Charge : 10.0
* Term : 1S   Valence configuration : 1s(2)2p(6)2s(2)
* SCF energy : -25.37694965 a.u.
* Valence Correlation energy : -0.02112005 a.u.
* References
* Authors : H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi,   [inner and valence shell]
* Journal : J. Comput. Chem. 28, 2424-2430 (2007)
* Authors : T. Noro, M. Sekiya, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Chem. Phys. 119, 5142 (2003)
*******************************************************************************
    10.0   1
* s-type functions
    9    3
       1604.93820000
         60.92378000
         11.97971600
          2.60126980
          1.28044310
          0.44927920
          0.19647860
          0.04196940
          0.01782700
   0.04342830  -0.00827410   0.00000000
  -0.19797380   0.04624000   0.00000000
   0.52344050  -0.14555420   0.00000000
  -0.60723280   0.22945450   0.00000000
  -0.56359360   0.16210910   0.00000000
   1.09037070  -0.50543220   0.00000000
   0.35354650  -0.27249710   0.00000000
   0.02850620   0.83876860   0.00000000
   0.00000000   0.00000000   1.00000000
* p-type functions
   10    2
        742.34290000
        155.74867000
         16.91306600
          2.88741280
          1.19388370
          0.50083620
          0.18383380
          0.28738900
          0.06145300
          0.02894700
  -0.01524180   0.00000000
  -0.05093980   0.00000000
   0.20322440   0.00000000
  -0.48089500   0.00000000
  -0.07135740   0.00000000
   0.72440550   0.00000000
   0.44622970   0.00000000
   0.00000000  -0.16703000
   0.00000000   0.67355100
   0.00000000   0.42823000
M1
  3
 252.56498000   5.13266580   9.54444630
   2.93650110   1.53519020   0.33844020
M2
  3
  48.536104e2 353.64626000   1.70954780
 180.28313000   4.14223330   0.68340850
COREREP
 1.0
PROJOP
    2
   14    4
  27.709934e2 445.85288000  97.41952200  20.53005400
   10.816976e4
10444.32400000
 1949.14740000
  489.57410000
  829.04137000
   89.02589800
   38.25013800
   74.69630400
   10.98326300
    2.60126980
    1.28044310
    1.95076800
    0.44927920
    0.19647860
   0.01767530   0.00671840   0.00309700   0.00158060
   0.11735620   0.04460770   0.02056280   0.01049450
   0.42779840   0.16260810   0.07495740   0.03825560
   0.56269240   0.21388200   0.09859310   0.05031850
  -0.00484230   0.09005060   0.04768610   0.01315280
   0.03402050  -0.63266260  -0.33502500  -0.09240710
   0.02603200  -0.48410520  -0.25635680  -0.07070870
   0.00797890   0.00523250  -0.29425640  -0.28681030
  -0.03208930  -0.02104390   1.18343280   1.15348600
   0.00000000   0.00210420   0.08051340  -0.96698490
   0.00000000   0.00088980   0.03404570  -0.40889710
   0.00000000   0.00000000   0.00547840   0.00085750
   0.00000000   0.00000000  -0.02637600  -0.00412840
   0.00000000   0.00000000  -0.01209120  -0.00189250
   10    3
 399.77884000  82.23692200  15.41539300
 2775.58680000
  578.49906000
  174.35216000
   60.88611100
   26.23402100
   10.16708200
    4.04076660
    1.63721770
    0.54815250
    0.19596200
   0.02408720   0.01263120   0.00587410
   0.16590370   0.08699880   0.04045840
   0.48428390   0.25395520   0.11810090
   0.46122250   0.24186190   0.11247700
   0.02784820  -0.51335160  -0.34870920
   0.03459220  -0.63767010  -0.43315610
  -0.01095540  -0.02874750   0.66628720
  -0.00949460  -0.02491430   0.57744420
   0.00000000   0.00741680   0.01263180
   0.00000000   0.00566200   0.00964320
    7    2
  60.02881600   7.71850840
  271.67535000
   74.52531300
   25.94199700
    9.68715470
    7.50746350
    2.83985930
    1.04365940
   0.04330080   0.01937200
   0.25044770   0.11204560
   0.54029730   0.24171900
   0.36520320   0.16338510
   0.00749630  -0.29468270
   0.01641830  -0.64541110
   0.00814210  -0.32007110
Spectral Representation Operator
End of Spectral Representation Operator

/Ce.MCP-DZP.Sekiya.10s10p9d10f.5s4p3d3f.ECP.12el.
M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga. J. Comput. Chem. 27 (2006) 463-470. doi:10.1002/jcc.20357
CERIUM (10s,10p,9d,10f) -> [5s,4p,3d,3f]
*******************************************************************************
* Element : Ce
* Basis : MCP segmented  (88111/6121/315/622)
* Effective Charge : 12.0
* Term : 3H   Valence configuration : 1s(2)2p(6)2s(2)4f(2)
* SCF energy : -38.47551834 a.u.
* Valence Correlation energy : -0.21204347 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, H. Tatewaki,   [inner shell]
* Journal : J. Mol. Struct. (Theochem), 451, 143-150 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence shell]
* Journal : J. Comput. Chem. 27, 463 (2006)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Comput. Chem. 27, 463 (2006)
*******************************************************************************
    12.0   3
* s-type functions
   10    5
       9673.36500000
       1071.84220000
         73.57171900
         12.82297200
          2.46716870
          0.43756780
          0.19285310
          0.06782840
          0.03251830
          0.01559310
   0.00751920  -0.00211900   0.00000000   0.00000000   0.00000000
   0.03794770  -0.01069420   0.00000000   0.00000000   0.00000000
  -0.18294110   0.05112430   0.00000000   0.00000000   0.00000000
   0.51568460  -0.14537440   0.00000000   0.00000000   0.00000000
  -1.01757320   0.31042160   0.00000000   0.00000000   0.00000000
   0.97628760  -0.43401720   0.00000000   0.00000000   0.00000000
   0.30808710  -0.31333850   1.00000000   0.00000000   0.00000000
  -0.01235490   0.37722440   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
* p-type functions
   10    4
        811.37098000
        170.19885000
         18.98668100
          4.04117660
          2.80415850
          0.49726190
          0.18562830
          0.34144500
          0.05804200
          0.02155900
  -0.01457720   0.00000000   0.00000000   0.00000000
  -0.05176740   0.00000000   0.00000000   0.00000000
   0.20542710   0.00000000   0.00000000   0.00000000
  -0.13515940   0.00000000   0.00000000   0.00000000
  -0.36868740   0.00000000   0.00000000   0.00000000
   0.75547180   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000  -0.17513000   0.00000000
   0.00000000   0.00000000   1.06028100   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000
* d-type functions
    9    3
          6.45959000
          0.75003600
          0.31496300
          0.09118300
        407.18616700
         96.14402400
         30.45978400
          3.19752500
          0.73375800
  -0.05261200   0.00000000   0.00000000
   0.45628300   0.00000000   0.00000000
   0.62278700   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00709400
   0.00000000   0.00000000   0.05758300
   0.00000000   0.00000000   0.14447700
   0.00000000   0.00000000  -0.42977700
   0.00000000   0.00000000  -0.73538400
* f-type functions
   10    3
         45.45450100
         13.53224700
          4.87334310
          1.79864930
          0.63371010
          0.19641940
          3.38250500
          1.29173100
          0.51870300
          0.17519800
   0.02739800   0.00000000   0.00000000
   0.15149850   0.00000000   0.00000000
   0.36373840   0.00000000   0.00000000
   0.42929430   0.00000000   0.00000000
   0.33831280   0.00000000   0.00000000
   0.14213970   0.00000000   0.00000000
   0.00000000   0.22772000   0.00000000
   0.00000000   0.84562600   0.00000000
   0.00000000   0.00000000   0.68091200
   0.00000000   0.00000000   0.45509300
M1
  3
  10.232787e2  56.58245300   3.76486770
   1.51066170   1.12517570   1.11940520
M2
  3
  15.901037e2  38.18887500   1.24637970
 107.43396000   6.10424460   0.14021710
COREREP
 1.0
PROJOP
    2
   14    4
   2.993196e3 486.94610000 107.74112000  22.81282000
   12.304415e4
11640.65900000
 2142.29870000
  533.17742000
  909.71525000
   97.42675500
   42.19862500
   78.29381700
   13.40660400
    5.68908430
    2.76208070
    1.06346380
    0.44450500
    0.17825380
   0.01770180   0.00677370   0.00312270   0.00160240
   0.11637520   0.04453150   0.02052900   0.01053420
   0.42568900   0.16289170   0.07509320   0.03853320
   0.56622150   0.21666700   0.09988370   0.05125410
  -0.00487870   0.08812200   0.04798310   0.01393590
   0.03451470  -0.62341940  -0.33945650  -0.09858940
   0.02720610  -0.49140700  -0.26757480  -0.07771260
   0.00787300   0.00633300  -0.30454750  -0.30223000
  -0.02656690  -0.02137000   1.02766980   1.01984950
  -0.00712530  -0.00573140   0.27562110   0.27352370
   0.00000000   0.00516250  -0.00635120  -1.26698100
   0.00000000   0.00094250  -0.00115950  -0.23131350
   0.00000000   0.00000000   0.00182360   0.00568670
   0.00000000   0.00000000   0.00043000   0.00134090
   10    3
 436.13976000  91.13996000  17.19092000
 3042.39260000
  631.33029000
  189.87277000
   66.27404000
   28.67330100
   11.15656400
    4.51709240
    1.82953010
    0.61682970
    0.21789480
   0.02391840   0.01265640   0.00596190
   0.16480420   0.08720620   0.04107870
   0.48323000   0.25570120   0.12044890
   0.46295340   0.24497190   0.11539480
   0.02821260  -0.51655380  -0.35747800
   0.03475730  -0.63638270  -0.44040490
  -0.01077570  -0.02815000   0.67477470
  -0.00921410  -0.02407050   0.57698570
   0.00000000   0.00627290   0.01240270
   0.00000000   0.00488530   0.00965910
    7    2
  67.35280000   8.82638000
  299.45494000
   82.23505900
   28.71670100
   10.77679500
    8.44790410
    3.21675190
    1.18448610
   0.04256780   0.01950410
   0.24834000   0.11378640
   0.54030940   0.24756340
   0.36551550   0.16747490
   0.00767000  -0.29816000
   0.01667290  -0.64813470
   0.00815680  -0.31708430
Spectral Representation Operator
End of Spectral Representation Operator

/Pr.MCP-DZP.Sekiya.10s10p9d10f.5s4p3d3f.ECP.13el.
M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga. J. Comput. Chem. 27 (2006) 463-470. doi:10.1002/jcc.20357
PRASEODYMIUM (10s,10p,9d,10f) -> [5s,4p,3d,3f]
*******************************************************************************
* Element : Pr
* Basis : MCP segmented  (88111/6121/315/622)
* Effective Charge : 13.0
* Term : 4I   Valence configuration : 1s(2)2s(2)2p(6)4f(3)
* SCF energy : -46.97098231 a.u.
* Valence Correlation energy : -0.2315716 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, H. Tatewaki,   [inner shell]
* Journal : J. Mol. Struct. (Theochem), 451, 143-150 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence shell]
* Journal : J. Comput. Chem. 27, 463 (2006)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Comput. Chem. 27, 463 (2006)
*******************************************************************************
    13.0   3
* s-type functions
   10    5
      10206.16800000
       1121.90300000
         76.69279700
         13.46653800
          2.59907570
          0.45845630
          0.20203430
          0.06910330
          0.03319600
          0.01589830
   0.00761850  -0.00211870   0.00000000   0.00000000   0.00000000
   0.03846330  -0.01069670   0.00000000   0.00000000   0.00000000
  -0.18416880   0.05077770   0.00000000   0.00000000   0.00000000
   0.51686570  -0.14372400   0.00000000   0.00000000   0.00000000
  -1.01223340   0.30427750   0.00000000   0.00000000   0.00000000
   0.96924540  -0.42218720   0.00000000   0.00000000   0.00000000
   0.31217280  -0.31145750   1.00000000   0.00000000   0.00000000
  -0.01177930   0.37753060   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
* p-type functions
   10    4
        847.07473000
        177.48793000
         19.84220600
          4.69050420
          3.06156510
          0.51961430
          0.19302130
          0.35641100
          0.05949300
          0.02210200
  -0.01455980   0.00000000   0.00000000   0.00000000
  -0.05149920   0.00000000   0.00000000   0.00000000
   0.20490610   0.00000000   0.00000000   0.00000000
  -0.07462470   0.00000000   0.00000000   0.00000000
  -0.42421580   0.00000000   0.00000000   0.00000000
   0.75263600   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000  -0.17079400   0.00000000
   0.00000000   0.00000000   1.05787500   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000
* d-type functions
    9    3
          6.66755800
          0.80677800
          0.34730100
          0.09216400
        428.10219900
        100.94185900
         31.98895500
          3.19863500
          0.71269900
  -0.05506400   0.00000000   0.00000000
   0.44318800   0.00000000   0.00000000
   0.63194800   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00584800
   0.00000000   0.00000000   0.04774200
   0.00000000   0.00000000   0.12049200
   0.00000000   0.00000000  -0.36034800
   0.00000000   0.00000000  -0.79429900
* f-type functions
   10    3
         49.81578400
         14.96806000
          5.44439190
          2.03597990
          0.72918470
          0.23069370
          3.68305800
          1.45254100
          0.60833200
          0.20901700
   0.02699470   0.00000000   0.00000000
   0.14444510   0.00000000   0.00000000
   0.36046270   0.00000000   0.00000000
   0.43371230   0.00000000   0.00000000
   0.33559400   0.00000000   0.00000000
   0.13722750   0.00000000   0.00000000
   0.00000000   0.24360100   0.00000000
   0.00000000   0.82954600   0.00000000
   0.00000000   0.00000000   0.67974500
   0.00000000   0.00000000   0.45258100
M1
  3
  10.472178e2  56.56570700   3.82460000
   1.44638060   1.05486500   0.98874620
M2
  3
  16.372614e2  35.81772500   1.29880630
 103.80408000   5.52060280   0.12880000
COREREP
 1.0
PROJOP
    2
   14    4
   3.107960e3 508.21380000 113.00660000  23.91300000
   13.120103e4
12286.76100000
 2245.17310000
  556.15073000
  952.21606000
  101.94516000
   44.33558200
   81.81864300
   14.01603700
    5.94829190
    2.92426730
    1.13871500
    0.46705130
    0.18727910
   0.01771840   0.00680270   0.00314620   0.00161980
   0.11587340   0.04448760   0.02057560   0.01059330
   0.42454220   0.16299580   0.07538580   0.03881220
   0.56799140   0.21807070   0.10085800   0.05192640
  -0.00488970   0.08714550   0.04762090   0.01384030
   0.03465240  -0.61758190  -0.33747980  -0.09808340
   0.02785820  -0.49649420  -0.27131100  -0.07885240
   0.00792280   0.00681300  -0.30496240  -0.30468550
  -0.02675650  -0.02300860   1.02989960   1.02896430
  -0.00712130  -0.00612380   0.27411200   0.27386300
   0.00000000   0.00598000  -0.00642860  -1.26454270
   0.00000000   0.00113180  -0.00121670  -0.23933560
   0.00000000   0.00000000   0.00178440   0.00502510
   0.00000000   0.00000000   0.00043560   0.00122670
   10    3
 454.86440000  95.65180000  18.02902000
 3182.47900000
  658.90826000
  197.94554000
   69.07119200
   29.95445000
   11.67828500
    4.76300940
    1.92600500
    0.64779740
    0.22728690
   0.02383930   0.01266790   0.00599580
   0.16427450   0.08729310   0.04131620
   0.48272060   0.25651090   0.12140770
   0.46380320   0.24645840   0.11664980
   0.02835920  -0.51759340  -0.36077980
   0.03484850  -0.63603250  -0.44333570
  -0.01067540  -0.02810900   0.67746960
  -0.00910130  -0.02396450   0.57757960
   0.00000000   0.00610390   0.01231990
   0.00000000   0.00481330   0.00971500
    7    2
  71.04900000   9.33080000
  313.80924000
   86.21412400
   30.14868400
   11.33812900
    8.92434930
    3.40385390
    1.25275190
   0.04225040   0.01953230
   0.24745010   0.11439600
   0.54036770   0.24981160
   0.36556050   0.16899840
   0.00776610  -0.29995040
   0.01680160  -0.64892670
   0.00818550  -0.31614970
Spectral Representation Operator
End of Spectral Representation Operator

/Nd.MCP-DZP.Sekiya.10s10p9d10f.5s4p3d3f.ECP.14el.
M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga. J. Comput. Chem. 27 (2006) 463-470. doi:10.1002/jcc.20357
NEODYMIUM (10s,10p,9d,10f) -> [5s,4p,3d,3f]
*******************************************************************************
* Element : Nd
* Basis : MCP segmented  (88111/6121/315/622)
* Effective Charge : 14.0
* Term : 5I   Valence configuration : 1s(2)2s(2)2p(6)4f(4)
* SCF energy : -56.9389594 a.u.
* Valence Correlation energy : -0.25860438 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, H. Tatewaki,   [inner shell]
* Journal : J. Mol. Struct. (Theochem), 451, 143-150 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence shell]
* Journal : J. Comput. Chem. 27, 463 (2006)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Comput. Chem. 27, 463 (2006)
*******************************************************************************
    14.0   3
* s-type functions
   10    5
      10774.95300000
       1174.25030000
         79.87045700
         14.12686600
          2.72717120
          0.47604660
          0.20421900
          0.07177130
          0.03387890
          0.01613870
   0.00797160  -0.00219420   0.00000000   0.00000000   0.00000000
   0.04022510  -0.01107210   0.00000000   0.00000000   0.00000000
  -0.18874560   0.05148820   0.00000000   0.00000000   0.00000000
   0.52258070  -0.14369530   0.00000000   0.00000000   0.00000000
  -1.01276630   0.30075040   0.00000000   0.00000000   0.00000000
   0.99105490  -0.42721560   0.00000000   0.00000000   0.00000000
   0.28733910  -0.30111160   1.00000000   0.00000000   0.00000000
  -0.00497280   0.37905730   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
* p-type functions
   10    4
        883.14406000
        184.85002000
         20.74630600
          5.06463350
          3.24111540
          0.54295010
          0.20067980
          0.37140600
          0.06103000
          0.02268500
  -0.01546070   0.00000000   0.00000000   0.00000000
  -0.05319930   0.00000000   0.00000000   0.00000000
   0.21010070   0.00000000   0.00000000   0.00000000
  -0.07511230   0.00000000   0.00000000   0.00000000
  -0.42409550   0.00000000   0.00000000   0.00000000
   0.74852320   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000  -0.16715700   0.00000000
   0.00000000   0.00000000   1.05587600   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000
* d-type functions
    9    3
          7.03790400
          0.84451400
          0.35963700
          0.09472400
        450.16506800
        106.01080200
         33.62554200
          3.39118600
          0.75181700
  -0.05469300   0.00000000   0.00000000
   0.44953300   0.00000000   0.00000000
   0.62747700   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00586900
   0.00000000   0.00000000   0.04817700
   0.00000000   0.00000000   0.12240200
   0.00000000   0.00000000  -0.36264400
   0.00000000   0.00000000  -0.79323400
* f-type functions
   10    3
         53.69846900
         16.22582900
          5.93340270
          2.23190030
          0.80380670
          0.25553620
          3.55987500
          1.41787700
          0.64423100
          0.22506500
   0.02744590   0.00000000   0.00000000
   0.14392740   0.00000000   0.00000000
   0.36238800   0.00000000   0.00000000
   0.43577790   0.00000000   0.00000000
   0.32983940   0.00000000   0.00000000
   0.13404210   0.00000000   0.00000000
   0.00000000   0.28831600   0.00000000
   0.00000000   0.79278100   0.00000000
   0.00000000   0.00000000   0.66076800
   0.00000000   0.00000000   0.47002300
M1
  3
  10.677918e2  57.24383900   3.85768500
   1.38249450   0.99177240   0.88640110
M2
  3
  16.619549e2  34.13669800   1.37598650
 101.61968000   5.09087280   0.11416130
COREREP
 1.0
PROJOP
    2
   14    4
   3.225244e3 530.01380000 118.39100000  25.02680000
   13.985273e4
12964.93600000
 2352.09040000
  579.84426000
  996.88602000
  106.44932000
   46.33476600
   85.43451600
   14.64771500
    6.21280930
    3.08936400
    1.21452950
    0.48970560
    0.19625980
   0.01774010   0.00683350   0.00317030   0.00163690
   0.11538390   0.04444590   0.02061990   0.01064640
   0.42338870   0.16308940   0.07566260   0.03906570
   0.56975640   0.21947020   0.10181960   0.05257100
  -0.00489790   0.08611670   0.04721530   0.01373020
   0.03493800  -0.61429170  -0.33679830  -0.09794110
   0.02841560  -0.49961220  -0.27392290  -0.07965690
   0.00799470   0.00691220  -0.30565220  -0.30707200
  -0.02700690  -0.02335010   1.03252820   1.03732430
  -0.00713610  -0.00616990   0.27282780   0.27409510
   0.00000000   0.00599360  -0.00656030  -1.26209480
   0.00000000   0.00117160  -0.00128240  -0.24670830
   0.00000000   0.00000000   0.00176010   0.00445620
   0.00000000   0.00000000   0.00044320   0.00112210
   10    3
 473.99460000 100.25100000  18.87260000
 3327.19940000
  687.28597000
  206.23189000
   71.93830800
   31.26955100
   12.21253100
    5.01482030
    2.02418910
    0.67870980
    0.23659260
   0.02376330   0.01267830   0.00602620
   0.16375550   0.08736770   0.04152700
   0.48221820   0.25727560   0.12228630
   0.46464700   0.24790100   0.11783040
   0.02850390  -0.51859200  -0.36381820
   0.03494220  -0.63572810  -0.44599500
  -0.01058150  -0.02806350   0.67979200
  -0.00900200  -0.02387430   0.57831700
   0.00000000   0.00595370   0.01225280
   0.00000000   0.00474860   0.00977260
    7    2
  74.81320000   9.83620000
  328.48366000
   90.27856100
   31.61128600
   11.91108200
    9.41059470
    3.59397330
    1.32182970
   0.04195840   0.01955320
   0.24664080   0.11493770
   0.54044670   0.25185480
   0.36556280   0.17035680
   0.00785750  -0.30162900
   0.01692220  -0.64959630
   0.00821590  -0.31538470
Spectral Representation Operator
End of Spectral Representation Operator

/Pm.MCP-DZP.Sekiya.10s10p9d10f.5s4p3d3f.ECP.15el.
M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga. J. Comput. Chem. 27 (2006) 463-470. doi:10.1002/jcc.20357
PROMETHIUM (10s,10p,9d,10f) -> [5s,4p,3d,3f]
*******************************************************************************
* Element : Pm
* Basis : MCP segmented  (88111/6121/315/622)
* Effective Charge : 15.0
* Term : 6H   Valence configuration : 1s(2)2s(2)2p(6)4f(5)
* SCF energy : -68.30186367 a.u.
* Valence Correlation energy : -0.29231206 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, H. Tatewaki,   [inner shell]
* Journal : J. Mol. Struct. (Theochem), 451, 143-150 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence shell]
* Journal : J. Comput. Chem. 27, 463 (2006)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Comput. Chem. 27, 463 (2006)
*******************************************************************************
    15.0   3
* s-type functions
   10    5
      11352.56400000
       1227.79370000
         83.18357500
         14.80605700
          2.86440600
          0.49706860
          0.21256530
          0.07417890
          0.03493280
          0.01656620
   0.00841500  -0.00229400   0.00000000   0.00000000   0.00000000
   0.04244090  -0.01156990   0.00000000   0.00000000   0.00000000
  -0.19319440   0.05216960   0.00000000   0.00000000   0.00000000
   0.52770450  -0.14355330   0.00000000   0.00000000   0.00000000
  -1.01151540   0.29681900   0.00000000   0.00000000   0.00000000
   0.99249910  -0.42152240   0.00000000   0.00000000   0.00000000
   0.28147310  -0.29544260   1.00000000   0.00000000   0.00000000
   0.00072290   0.36841840   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
* p-type functions
   10    4
        920.18231000
        192.39495000
         21.67509800
          5.40725670
          3.41519320
          0.56652920
          0.20835590
          0.38663500
          0.06263200
          0.02329400
  -0.01642160   0.00000000   0.00000000   0.00000000
  -0.05429660   0.00000000   0.00000000   0.00000000
   0.21295190   0.00000000   0.00000000   0.00000000
  -0.07509900   0.00000000   0.00000000   0.00000000
  -0.42329620   0.00000000   0.00000000   0.00000000
   0.74516760   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000  -0.16396600   0.00000000
   0.00000000   0.00000000   1.05413000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000
* d-type functions
    9    3
          7.44338400
          0.86191500
          0.35525800
          0.09819800
        475.41188400
        111.81326600
         35.49922700
          3.72853700
          0.82753900
  -0.05260600   0.00000000   0.00000000
   0.47092200   0.00000000   0.00000000
   0.61176700   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00656700
   0.00000000   0.00000000   0.05430700
   0.00000000   0.00000000   0.13975100
   0.00000000   0.00000000  -0.40496400
   0.00000000   0.00000000  -0.76039300
* f-type functions
   10    3
         57.16372600
         17.34249000
          6.36383730
          2.40098060
          0.86607660
          0.27523530
          3.61706200
          1.45855900
          0.71555600
          0.25032400
   0.02726570   0.00000000   0.00000000
   0.14249430   0.00000000   0.00000000
   0.36364380   0.00000000   0.00000000
   0.43886140   0.00000000   0.00000000
   0.32530910   0.00000000   0.00000000
   0.13212700   0.00000000   0.00000000
   0.00000000   0.32445600   0.00000000
   0.00000000   0.76119300   0.00000000
   0.00000000   0.00000000   0.63488700
   0.00000000   0.00000000   0.49786000
M1
  3
  10.887098e2  57.06457500   3.86202710
   1.32908520   0.93024800   0.79416450
M2
  3
  16.716397e2  33.17264000   1.45065370
 101.88211000   4.65448080   0.10170850
COREREP
 1.0
PROJOP
    2
   14    4
   3.345078e3 552.35700000 123.89980000  26.15720000
   14.902858e4
13676.88900000
 2463.22290000
  604.28233000
 1043.38460000
  111.11333000
   48.40425500
   89.16589600
   15.29708900
    6.48504230
    3.25911640
    1.29268660
    0.51253670
    0.20521220
   0.01776710   0.00686640   0.00319500   0.00165370
   0.11490650   0.04440780   0.02066330   0.01069490
   0.42222780   0.16317790   0.07592810   0.03929860
   0.57151570   0.22087310   0.10277420   0.05319350
  -0.00490500   0.08506940   0.04678810   0.01361280
   0.03522090  -0.61084670  -0.33596530  -0.09774790
   0.02899530  -0.50287390  -0.27658030  -0.08047000
   0.00806760   0.00701620  -0.30626020  -0.30923080
  -0.02726180  -0.02370890   1.03491050   1.04494860
  -0.00715620  -0.00622360   0.27166230   0.27429730
   0.00000000   0.00601470  -0.00666360  -1.25919350
   0.00000000   0.00121390  -0.00134490  -0.25413490
   0.00000000   0.00000000   0.00173580   0.00393030
   0.00000000   0.00000000   0.00044940   0.00101750
   10    3
 493.53460000 104.94100000  19.72380000
 3476.68620000
  716.48105000
  214.73541000
   74.87634800
   32.61922900
   12.75957600
    5.27264380
    2.12420540
    0.70969450
    0.24584440
   0.02369030   0.01268790   0.00605370
   0.16324680   0.08743080   0.04171500
   0.48172230   0.25799800   0.12309600
   0.46548370   0.24930100   0.11894650
   0.02864800  -0.51954010  -0.36662300
   0.03504070  -0.63547290  -0.44843300
  -0.01049490  -0.02801670   0.68181860
  -0.00891460  -0.02379790   0.57914830
   0.00000000   0.00581920   0.01219750
   0.00000000   0.00469040   0.00983140
    7    2
  78.64780000  10.34360000
  343.48006000
   94.42857100
   33.10450600
   12.49565800
    9.90701910
    3.78736670
    1.39182950
   0.04168980   0.01956890
   0.24590490   0.11542630
   0.54054480   0.25372860
   0.36552670   0.17157610
   0.00794360  -0.30320750
   0.01703370  -0.65017770
   0.00824590  -0.31474700
Spectral Representation Operator
End of Spectral Representation Operator

/Sm.MCP-DZP.Sekiya.10s10p9d10f.5s4p3d3f.ECP.16el.
M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga. J. Comput. Chem. 27 (2006) 463-470. doi:10.1002/jcc.20357
SAMARIUM (10s,10p,9d,10f) -> [5s,4p,3d,3f]
*******************************************************************************
* Element : Sm
* Basis : MCP segmented  (88111/6121/315/622)
* Effective Charge : 16.0
* Term : 7F   Valence configuration : 1s(2)2s(2)2p(6)4f(6)
* SCF energy : -81.35213645 a.u.
* Valence Correlation energy : -0.32616288 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, H. Tatewaki,   [inner shell]
* Journal : J. Mol. Struct. (Theochem), 451, 143-150 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence shell]
* Journal : J. Comput. Chem. 27, 463 (2006)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Comput. Chem. 27, 463 (2006)
*******************************************************************************
    16.0   3
* s-type functions
   10    5
      11973.12600000
       1283.91040000
         86.58473100
         15.50602000
          3.00356550
          0.51787710
          0.22074340
          0.07650930
          0.03591320
          0.01694950
   0.00873480  -0.00236070   0.00000000   0.00000000   0.00000000
   0.04406150  -0.01190820   0.00000000   0.00000000   0.00000000
  -0.19710050   0.05274790   0.00000000   0.00000000   0.00000000
   0.53273870  -0.14354870   0.00000000   0.00000000   0.00000000
  -1.00965080   0.29309720   0.00000000   0.00000000   0.00000000
   0.99361570  -0.41637550   0.00000000   0.00000000   0.00000000
   0.27577240  -0.29004740   1.00000000   0.00000000   0.00000000
   0.00622800   0.35965020   0.00000000   0.00000000   0.00000000
  -0.00395400   0.00000000   0.00000000   1.00000000   0.00000000
   0.00137060   0.00000000   0.00000000   0.00000000   1.00000000
* p-type functions
   10    4
        957.52463000
        200.00568000
         22.65903500
          5.36786830
          3.52972630
          0.59067670
          0.21609510
          0.40172300
          0.06419200
          0.02390900
  -0.01702520   0.00000000   0.00000000   0.00000000
  -0.05543820   0.00000000   0.00000000   0.00000000
   0.21634610   0.00000000   0.00000000   0.00000000
  -0.10525980   0.00000000   0.00000000   0.00000000
  -0.39180890   0.00000000   0.00000000   0.00000000
   0.74022070   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000  -0.16098300   0.00000000
   0.00000000   0.00000000   1.05251000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000
* d-type functions
    9    3
          7.75927900
          0.87072400
          0.33580700
          0.10014000
        499.83798100
        117.42109400
         37.34552300
          4.08506400
          0.93101500
  -0.05079000   0.00000000   0.00000000
   0.50801600   0.00000000   0.00000000
   0.58660800   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00726900
   0.00000000   0.00000000   0.06040300
   0.00000000   0.00000000   0.15655600
   0.00000000   0.00000000  -0.43906900
   0.00000000   0.00000000  -0.72819600
* f-type functions
   10    3
         60.78717400
         18.51192200
          6.81571690
          2.57941830
          0.93249300
          0.29658830
          4.11563200
          1.71255200
          0.81261000
          0.28239100
   0.02862560   0.00000000   0.00000000
   0.14825450   0.00000000   0.00000000
   0.36375650   0.00000000   0.00000000
   0.43951510   0.00000000   0.00000000
   0.32014140   0.00000000   0.00000000
   0.12988130   0.00000000   0.00000000
   0.00000000   0.30903900   0.00000000
   0.00000000   0.76931300   0.00000000
   0.00000000   0.00000000   0.65182200
   0.00000000   0.00000000   0.48101900
M1
  3
  10.928455e2  56.86558900   3.91796880
   1.29405740   0.87387780   0.71419240
M2
  3
   1.715324e3  29.97695800   1.52101770
  99.98310200   4.26204600   0.09203980
COREREP
 1.0
PROJOP
    2
   14    4
  34.674816e2 575.24040000 129.52280000  27.29400000
   15.875634e4
14424.17200000
 2578.71480000
  629.47859000
 1091.80400000
  115.94393000
   50.54592000
   93.01439300
   15.96494200
    6.76581450
    3.43360480
    1.37341000
    0.53507560
    0.21392830
   0.01779950   0.00690160   0.00322040   0.00167010
   0.11444300   0.04437410   0.02070570   0.01073830
   0.42106240   0.16326270   0.07618120   0.03950880
   0.57326690   0.22227850   0.10371900   0.05379030
  -0.00491080   0.08400510   0.04634330   0.01349100
   0.03549920  -0.60725170  -0.33500430  -0.09752340
   0.02959640  -0.50627740  -0.27929950  -0.08130710
   0.00814020   0.00712340  -0.30676550  -0.31112630
  -0.02751810  -0.02408070   1.03702520   1.05176690
  -0.00718160  -0.00628450   0.27063930   0.27448650
   0.00000000   0.00604000  -0.00672540  -1.25560040
   0.00000000   0.00125940  -0.00140230  -0.26179640
   0.00000000   0.00000000   0.00171020   0.00342910
   0.00000000   0.00000000   0.00045390   0.00091020
   10    3
 513.47540000 109.71000000  20.57280000
 3631.07250000
  746.51147000
  223.45982000
   77.88611000
   34.00390900
   13.31928200
    5.53614970
    2.22554130
    0.74013850
    0.25478570
   0.02362020   0.01269670   0.00607800
   0.16274810   0.08748300   0.04187850
   0.48123280   0.25868000   0.12383130
   0.46631600   0.25066160   0.11999280
   0.02878990  -0.52045060  -0.36918020
   0.03514100  -0.63526270  -0.45062180
  -0.01041400  -0.02796440   0.68356120
  -0.00883730  -0.02373060   0.58007030
   0.00000000   0.00569830   0.01214630
   0.00000000   0.00464050   0.00989160
    7    2
  82.54020000  10.84380000
  358.78354000
   98.65958200
   34.62648800
   13.09092300
   10.41247800
    3.98317080
    1.46222990
   0.04144610   0.01957920
   0.24525300   0.11585820
   0.54067470   0.25541620
   0.36543140   0.17263070
   0.00802320  -0.30471000
   0.01713160  -0.65063400
   0.00827500  -0.31427120
Spectral Representation Operator
End of Spectral Representation Operator

/Eu.MCP-DZP.Sekiya.10s10p9d10f.5s4p3d3f.ECP.17el.
M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga. J. Comput. Chem. 27 (2006) 463-470. doi:10.1002/jcc.20357
EUROPIUM (10s,10p,9d,10f) -> [5s,4p,3d,3f]
*******************************************************************************
* Element : Eu
* Basis : MCP segmented  (88111/6121/315/622)
* Effective Charge : 17.0
* Term : 8S   Valence configuration : 1s(2)2s(2)2p(6)4f(7)
* SCF energy : -95.76815022 a.u.
* Valence Correlation energy : -0.35478776 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, H. Tatewaki,   [inner shell]
* Journal : J. Mol. Struct. (Theochem), 451, 143-150 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence shell]
* Journal : J. Comput. Chem. 27, 463 (2006)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Comput. Chem. 27, 463 (2006)
*******************************************************************************
    17.0   3
* s-type functions
   10    5
      12627.03700000
       1342.26600000
         90.08147400
         16.22681700
          3.14469170
          0.53843570
          0.22873510
          0.07900470
          0.03696880
          0.01735870
   0.00898680  -0.00240670   0.00000000   0.00000000   0.00000000
   0.04533870  -0.01214170   0.00000000   0.00000000   0.00000000
  -0.19879750   0.05269340   0.00000000   0.00000000   0.00000000
   0.53239500  -0.14202300   0.00000000   0.00000000   0.00000000
  -1.00301620   0.28796540   0.00000000   0.00000000   0.00000000
   0.98885790  -0.40851120   0.00000000   0.00000000   0.00000000
   0.27787310  -0.28902050   1.00000000   0.00000000   0.00000000
   0.00597430   0.35055030   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
* p-type functions
   10    4
        996.62375000
        207.92415000
         23.63989500
          5.63886190
          3.69537540
          0.61364050
          0.22331800
          0.41657300
          0.06566700
          0.02448900
  -0.01741520   0.00000000   0.00000000   0.00000000
  -0.05534250   0.00000000   0.00000000   0.00000000
   0.21476310   0.00000000   0.00000000   0.00000000
  -0.10154220   0.00000000   0.00000000   0.00000000
  -0.39136730   0.00000000   0.00000000   0.00000000
   0.73738030   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000  -0.15805600   0.00000000
   0.00000000   0.00000000   1.05094200   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000
* d-type functions
    9    3
          8.07731700
          0.90462300
          0.33958800
          0.09914700
        524.64802700
        123.05498300
         39.15040100
          4.27168200
          0.96687200
  -0.05035400   0.00000000   0.00000000
   0.51240200   0.00000000   0.00000000
   0.58688100   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00704400
   0.00000000   0.00000000   0.05884500
   0.00000000   0.00000000   0.15363000
   0.00000000   0.00000000  -0.42665300
   0.00000000   0.00000000  -0.73947700
* f-type functions
   10    3
         64.59354700
         19.74266600
          7.29277630
          2.76912880
          1.00405600
          0.32006720
          4.64226200
          1.98087500
          0.91659300
          0.31694600
   0.02741910   0.00000000   0.00000000
   0.14376320   0.00000000   0.00000000
   0.36142720   0.00000000   0.00000000
   0.44340940   0.00000000   0.00000000
   0.31953620   0.00000000   0.00000000
   0.12930610   0.00000000   0.00000000
   0.00000000   0.29439400   0.00000000
   0.00000000   0.77791300   0.00000000
   0.00000000   0.00000000   0.66350700
   0.00000000   0.00000000   0.46928700
M1
  3
  11.159842e2  56.84466100   3.93535360
   1.26143900   0.82468260   0.64899470
M2
  3
  17.424212e2  30.32786700   1.56987820
  98.32300200   3.95504520   0.08192860
COREREP
 1.0
PROJOP
    2
   14    4
  35.924866e2 598.67140000 135.26080000  28.43720000
   16.907149e4
15208.88800000
 2698.78320000
  655.46606000
 1142.23770000
  120.94781000
   52.76256000
   96.98479000
   16.65125800
    7.05492920
    3.61292200
    1.45661120
    0.55728640
    0.22239760
   0.01783710   0.00693890   0.00324650   0.00168640
   0.11399180   0.04434430   0.02074740   0.01077730
   0.41988940   0.16334240   0.07642330   0.03969830
   0.57501230   0.22368720   0.10465690   0.05436430
  -0.00491560   0.08292380   0.04587950   0.01336320
   0.03577460  -0.60350340  -0.33390220  -0.09725490
   0.03022150  -0.50982420  -0.28207200  -0.08215840
   0.00821390   0.00723480  -0.30718750  -0.31279080
  -0.02777940  -0.02446830   1.03891170   1.05786170
  -0.00721200  -0.00635240   0.26971930   0.27463910
   0.00000000   0.00607060  -0.00675300  -1.25139900
   0.00000000   0.00130810  -0.00145510  -0.26965370
   0.00000000   0.00000000   0.00168390   0.00295500
   0.00000000   0.00000000   0.00045720   0.00080230
   10    3
 533.81820000 114.55740000  21.41860000
 3790.49650000
  777.39524000
  232.40869000
   80.96854900
   35.42407700
   13.89176500
    5.80533110
    2.32815050
    0.76997460
    0.26339300
   0.02355290   0.01270480   0.00609940
   0.16225910   0.08752510   0.04201960
   0.48074970   0.25932380   0.12449790
   0.46714200   0.25198350   0.12097400
   0.02893090  -0.52132240  -0.37150640
   0.03524480  -0.63509620  -0.45258430
  -0.01033940  -0.02790750   0.68505680
  -0.00876980  -0.02367100   0.58106130
   0.00000000   0.00558910   0.01209710
   0.00000000   0.00459820   0.00995240
    7    2
  86.48900000  11.33600000
  374.39840000
  102.97250000
   36.17750400
   13.69694100
   10.92692000
    4.18132330
    1.53299240
   0.04122460   0.01958460
   0.24467540   0.11623800
   0.54083120   0.25693280
   0.36528700   0.17353700
   0.00809730  -0.30614290
   0.01721780  -0.65097400
   0.00830360  -0.31394300
Spectral Representation Operator
End of Spectral Representation Operator

/Gd.MCP-DZP.Sekiya.10s10p9d10f.5s4p3d3f.ECP.18el.
M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga. J. Comput. Chem. 27 (2006) 463-470. doi:10.1002/jcc.20357
GADOLINIUM (10s,10p,9d,10f) -> [5s,4p,3d,3f]
*******************************************************************************
* Element : Gd
* Basis : MCP segmented  (88111/6121/315/622)
* Effective Charge : 18.0
* Term : 7F   Valence configuration : 1s(2)2s(2)2p(6)4f(8)
* SCF energy : -111.91741655 a.u.
* Valence Correlation energy : -0.41199391 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, H. Tatewaki,   [inner shell]
* Journal : J. Mol. Struct. (Theochem), 451, 143-150 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence shell]
* Journal : J. Comput. Chem. 27, 463 (2006)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Comput. Chem. 27, 463 (2006)
*******************************************************************************
    18.0   3
* s-type functions
   10    5
      13314.89600000
       1402.84220000
         93.68811200
         16.96254700
          3.29348340
          0.56189560
          0.23804480
          0.08132770
          0.03797450
          0.01776030
   0.00934110  -0.00247820   0.00000000   0.00000000   0.00000000
   0.04712680  -0.01250270   0.00000000   0.00000000   0.00000000
  -0.20292870   0.05326700   0.00000000   0.00000000   0.00000000
   0.53803790  -0.14207430   0.00000000   0.00000000   0.00000000
  -1.00393500   0.28505470   0.00000000   0.00000000   0.00000000
   0.99126010  -0.40410750   0.00000000   0.00000000   0.00000000
   0.27209820  -0.28295140   1.00000000   0.00000000   0.00000000
   0.01134490   0.34394040   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
* p-type functions
   10    4
       1036.71000000
        216.02935000
         24.64863500
          5.89043140
          3.86685580
          0.63961430
          0.23175940
          0.43335500
          0.06751900
          0.02522600
  -0.01802000   0.00000000   0.00000000   0.00000000
  -0.05634250   0.00000000   0.00000000   0.00000000
   0.21797030   0.00000000   0.00000000   0.00000000
  -0.11120410   0.00000000   0.00000000   0.00000000
  -0.38258450   0.00000000   0.00000000   0.00000000
   0.73479220   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000  -0.15577700   0.00000000
   0.00000000   0.00000000   1.04967700   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000
* d-type functions
    9    3
          8.77778900
          0.92320300
          0.34606500
          0.10288700
        548.40430100
        128.42593600
         40.87631700
          4.58589200
          1.02456300
  -0.04591500   0.00000000   0.00000000
   0.48875100   0.00000000   0.00000000
   0.60905100   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00795700
   0.00000000   0.00000000   0.06670000
   0.00000000   0.00000000   0.17469200
   0.00000000   0.00000000  -0.49213700
   0.00000000   0.00000000  -0.68563700
* f-type functions
   10    3
         66.96054200
         20.48012000
          7.56163980
          2.86018360
          1.02840240
          0.32341090
          3.46403200
          1.18959500
          1.10278300
          0.33052300
   0.02881270   0.00000000   0.00000000
   0.15034990   0.00000000   0.00000000
   0.36705520   0.00000000   0.00000000
   0.44255670   0.00000000   0.00000000
   0.31342930   0.00000000   0.00000000
   0.12825090   0.00000000   0.00000000
   0.00000000   0.48702100   0.00000000
   0.00000000   0.64875300   0.00000000
   0.00000000   0.00000000   0.49121400
   0.00000000   0.00000000   0.67306900
M1
  3
  11.346324e2  56.70908400   3.96563960
   1.23399440   0.77836190   0.59400080
M2
  3
  17.817333e2  29.67371400   1.63684870
  96.17800000   3.74609800   0.07188830
COREREP
 1.0
PROJOP
    2
   14    4
  37.202051e2 622.74536000 141.21054000  29.68386800
   18.000399e4
16032.74200000
 2823.58840000
  682.26302000
 1194.79100000
  126.13422000
   55.05726200
  101.07920000
   17.35551500
    7.35088280
    3.79802010
    1.54150200
    0.58281700
    0.23233860
   0.01788050   0.00697850   0.00327350   0.00170340
   0.11355490   0.04431890   0.02078900   0.01081810
   0.41871140   0.16341750   0.07665530   0.03988970
   0.57674800   0.22509700   0.10558780   0.05494550
  -0.00491910   0.08182570   0.04539760   0.01323200
   0.03604460  -0.59958080  -0.33265220  -0.09695790
   0.03087190  -0.51353500  -0.28491330  -0.08304350
   0.00828790   0.00735210  -0.30752840  -0.31445710
  -0.02804640  -0.02487960   1.04068110   1.06412780
  -0.00724590  -0.00642770   0.26886310   0.27492060
   0.00000000   0.00611610  -0.00682550  -1.24856150
   0.00000000   0.00135410  -0.00151110  -0.27642330
   0.00000000   0.00000000   0.00166110   0.00256660
   0.00000000   0.00000000   0.00046160   0.00071320
   10    3
 554.64872000 119.57708000  22.33422000
 3955.16790000
  809.16471000
  241.58976000
   84.12568000
   36.86115000
   14.46263300
    6.08160360
    2.43500060
    0.80361460
    0.27344080
   0.02348760   0.01271170   0.00612190
   0.16177480   0.08755360   0.04216560
   0.48026370   0.25992190   0.12517780
   0.46797120   0.25326910   0.12197380
   0.02911270  -0.52278540  -0.37437220
   0.03534460  -0.63469450  -0.45451140
  -0.01029620  -0.02752540   0.68732880
  -0.00871140  -0.02328880   0.58153650
   0.00000000   0.00511180   0.01206290
   0.00000000   0.00423460   0.00999290
    7    2
  90.58580000  11.88546000
  390.45339000
  107.40396000
   37.77152900
   14.32053000
   11.45958600
    4.38852950
    1.60794910
   0.04099750   0.01959560
   0.24404680   0.11664720
   0.54091640   0.25854230
   0.36526750   0.17458720
   0.00817410  -0.30742180
   0.01732440  -0.65155750
   0.00833250  -0.31338100
Spectral Representation Operator
End of Spectral Representation Operator

/Tb.MCP-DZP.Sekiya.10s10p9d10f.5s4p3d3f.ECP.19el.
M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga. J. Comput. Chem. 27 (2006) 463-470. doi:10.1002/jcc.20357
TERBIUM (10s,10p,9d,10f) -> [5s,4p,3d,3f]
*******************************************************************************
* Element : Tb
* Basis : MCP segmented  (88111/6121/315/622)
* Effective Charge : 19.0
* Term : 6H   Valence configuration : 1s(2)2s(2)2p(6)4f(9)
* SCF energy : -129.53552285 a.u.
* Valence Correlation energy : -0.45271666 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, H. Tatewaki,   [inner shell]
* Journal : J. Mol. Struct. (Theochem), 451, 143-150 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence shell]
* Journal : J. Comput. Chem. 27, 463 (2006)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Comput. Chem. 27, 463 (2006)
*******************************************************************************
    19.0   3
* s-type functions
   10    5
      14040.21300000
       1465.86520000
         97.39528100
         17.71995800
          3.44449140
          0.58511320
          0.24716470
          0.08367810
          0.03897920
          0.01815660
   0.00953410  -0.00250530   0.00000000   0.00000000   0.00000000
   0.04809830  -0.01263890   0.00000000   0.00000000   0.00000000
  -0.20462470   0.05318410   0.00000000   0.00000000   0.00000000
   0.53911960  -0.14092450   0.00000000   0.00000000   0.00000000
  -1.00053530   0.28103650   0.00000000   0.00000000   0.00000000
   0.98854720  -0.39765360   0.00000000   0.00000000   0.00000000
   0.27288520  -0.28050480   1.00000000   0.00000000   0.00000000
   0.01202210   0.33849580   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
* p-type functions
   10    4
       1078.55090000
        224.44132000
         25.65757600
          6.37212720
          4.07721690
          0.66471940
          0.23979380
          0.44989600
          0.06927100
          0.02593900
  -0.01832220   0.00000000   0.00000000   0.00000000
  -0.05688190   0.00000000   0.00000000   0.00000000
   0.21923680   0.00000000   0.00000000   0.00000000
  -0.09589400   0.00000000   0.00000000   0.00000000
  -0.39779050   0.00000000   0.00000000   0.00000000
   0.73266930   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000  -0.15349400   0.00000000
   0.00000000   0.00000000   1.04842600   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000
* d-type functions
    9    3
          8.97796100
          0.92055600
          0.30296200
          0.10233400
        570.31621100
        133.42857800
         42.60515100
          4.97632900
          1.16734600
  -0.04412100   0.00000000   0.00000000
   0.53327200   0.00000000   0.00000000
   0.58883400   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00841600
   0.00000000   0.00000000   0.07051500
   0.00000000   0.00000000   0.18367000
   0.00000000   0.00000000  -0.49324000
   0.00000000   0.00000000  -0.67569800
* f-type functions
   10    3
         69.74318800
         21.35851800
          7.88860580
          2.97775960
          1.06509770
          0.33193090
          3.74171700
          1.34173100
          1.17545800
          0.36210600
   0.02901190   0.00000000   0.00000000
   0.15011170   0.00000000   0.00000000
   0.36893340   0.00000000   0.00000000
   0.44442400   0.00000000   0.00000000
   0.31088230   0.00000000   0.00000000
   0.12819440   0.00000000   0.00000000
   0.00000000   0.50369200   0.00000000
   0.00000000   0.62427600   0.00000000
   0.00000000   0.00000000   0.51217800
   0.00000000   0.00000000   0.64835000
M1
  3
  11.624451e2  56.19924100   3.98023710
   1.21106860   0.73514230   0.54639440
M2
  3
  18.333086e2  30.78840700   1.69893260
  94.09163800   3.61602300   0.06341710
COREREP
 1.0
PROJOP
    2
   14    4
   3.850595e3 647.38820000 147.28160000  30.89820000
   19.159064e4
16897.87700000
 2953.34010000
  709.89649000
 1249.57350000
  131.51155000
   57.43306700
  105.30280000
   18.07899100
    7.65553830
    3.98821490
    1.62902470
    0.60805770
    0.24205230
   0.01792940   0.00702050   0.00330120   0.00172030
   0.11313200   0.04429830   0.02083040   0.01085510
   0.41752830   0.16348870   0.07687740   0.04006230
   0.57847420   0.22650930   0.10651160   0.05550530
  -0.00492130   0.08071210   0.04489890   0.01309590
   0.03630920  -0.59549160  -0.33126250  -0.09662110
   0.03154790  -0.51740390  -0.28782350  -0.08395100
   0.00836230   0.00747350  -0.30778550  -0.31590450
  -0.02831710  -0.02530740   1.04224480   1.06973800
  -0.00728400  -0.00650980   0.26809700   0.27516900
   0.00000000   0.00616630  -0.00686600  -1.24513000
   0.00000000   0.00140350  -0.00156280  -0.28340190
   0.00000000   0.00000000   0.00163770   0.00219070
   0.00000000   0.00000000   0.00046480   0.00062180
   10    3
 575.88680000 124.67740000  30.89820000
 4125.17080000
  841.82643000
  251.00315000
   87.35734900
   38.35696300
   15.06409900
    6.36513340
    2.54410280
    0.83679090
    0.28318340
   0.02342510   0.01271840   0.00614210
   0.16129990   0.08757610   0.04229300
   0.47978370   0.26049360   0.12579960
   0.46879440   0.25452700   0.12291820
   0.02924940  -0.52342680  -0.37646090
   0.03546670  -0.63468650  -0.45648150
  -0.01023150  -0.02751210   0.68862450
  -0.00865440  -0.02327130   0.58247680
   0.00000000   0.00503500   0.01204510
   0.00000000   0.00420220   0.01005270
    7    2
  94.73940000  12.42636000
  406.82815000
  111.91906000
   39.39507200
   14.95504500
   12.00138300
    4.59814320
    1.68327190
   0.04079040   0.01960200
   0.24348620   0.11700850
   0.54102850   0.25999400
   0.36519960   0.17549860
   0.00824570  -0.30865110
   0.01741900  -0.65202160
   0.00836100  -0.31296410
Spectral Representation Operator
End of Spectral Representation Operator

/Dy.MCP-DZP.Sekiya.10s10p9d10f.5s4p3d3f.ECP.20el.
M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga. J. Comput. Chem. 27 (2006) 463-470. doi:10.1002/jcc.20357
DYSPROSIUM (10s,10p,9d,10f) -> [5s,4p,3d,3f]
*******************************************************************************
* Element : Dy
* Basis : MCP segmented  (88111/6121/315/622)
* Effective Charge : 20.0
* Term : 5I   Valence configuration : 1s(2)2s(2)2p(6)4f(10)
* SCF energy : -148.68616345 a.u.
* Valence Correlation energy : -0.51311256 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, H. Tatewaki,   [inner shell]
* Journal : J. Mol. Struct. (Theochem), 451, 143-150 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence shell]
* Journal : J. Comput. Chem. 27, 463 (2006)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Comput. Chem. 27, 463 (2006)
*******************************************************************************
    20.0   3
* s-type functions
   10    5
      14808.63600000
       1531.54300000
        101.20588000
         18.49894700
          3.59833360
          0.60838180
          0.25623420
          0.08605610
          0.03998860
          0.01855140
   0.00885120  -0.00230370   0.00000000   0.00000000   0.00000000
   0.04465590  -0.01162250   0.00000000   0.00000000   0.00000000
  -0.19799290   0.05088120   0.00000000   0.00000000   0.00000000
   0.52675380  -0.13610570   0.00000000   0.00000000   0.00000000
  -0.98305930   0.27262560   0.00000000   0.00000000   0.00000000
   0.96307580  -0.37978440   0.00000000   0.00000000   0.00000000
   0.30358460  -0.29347720   1.00000000   0.00000000   0.00000000
  -0.00787600   0.33775490   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
* p-type functions
   10    4
       1120.66710000
        232.90847000
         26.72771900
          6.48912930
          4.22950810
          0.69042580
          0.24790350
          0.46608300
          0.07101100
          0.02663400
  -0.01603450   0.00000000   0.00000000   0.00000000
  -0.05374510   0.00000000   0.00000000   0.00000000
   0.20656340   0.00000000   0.00000000   0.00000000
  -0.08406390   0.00000000   0.00000000   0.00000000
  -0.39512240   0.00000000   0.00000000   0.00000000
   0.73094260   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000  -0.15145600   0.00000000
   0.00000000   0.00000000   1.04732800   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000
* d-type functions
    9    3
          9.54420100
          0.95449000
          0.31890200
          0.10220900
        597.48896200
        139.50992000
         44.51635100
          5.18073100
          1.19145600
  -0.04222600   0.00000000   0.00000000
   0.51091000   0.00000000   0.00000000
   0.60735200   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00851100
   0.00000000   0.00000000   0.07170600
   0.00000000   0.00000000   0.18828600
   0.00000000   0.00000000  -0.51223700
   0.00000000   0.00000000  -0.66186500
* f-type functions
   10    3
         72.73396800
         22.30748400
          8.24447360
          3.10826620
          1.10766130
          0.34283900
          4.05977400
          1.53984800
          1.23336500
          0.39159100
   0.02965570   0.00000000   0.00000000
   0.16509140   0.00000000   0.00000000
   0.36589170   0.00000000   0.00000000
   0.43800360   0.00000000   0.00000000
   0.31348400   0.00000000   0.00000000
   0.12836160   0.00000000   0.00000000
   0.00000000   0.51130400   0.00000000
   0.00000000   0.60539300   0.00000000
   0.00000000   0.00000000   0.53607500
   0.00000000   0.00000000   0.61950600
M1
  3
 803.54640000  57.05254100   4.50822430
   1.10472070   0.74971460   0.49390050
M2
  3
  26.229456e2  23.75171100   1.71043750
  97.65472700   2.81467840   0.08554680
COREREP
 1.0
PROJOP
    2
   14    4
  39.836998e2 672.61820000 153.48520000  32.14780000
   20.572609e4
17966.72700000
 3114.95080000
  744.59391000
 1311.88630000
  136.24783000
   59.54643800
  109.70590000
   18.81169300
    7.94733530
    4.18070660
    1.71601440
    0.63340910
    0.25176030
   0.01783740   0.00700610   0.00330200   0.00172310
   0.11177180   0.04390100   0.02069110   0.01079700
   0.41377680   0.16252050   0.07659790   0.03997010
   0.58217720   0.22866370   0.10777200   0.05623730
  -0.00514280   0.07924320   0.04420750   0.01290490
   0.03869600  -0.59624640  -0.33262920  -0.09709970
   0.03346980  -0.51571900  -0.28770530  -0.08398570
   0.00970760   0.00742080  -0.30787440  -0.31692240
  -0.03295370  -0.02519080   1.04512320   1.07583780
  -0.00840090  -0.00642190   0.26643340   0.27426340
   0.00000000   0.00603600  -0.00714110  -1.24248590
   0.00000000   0.00140550  -0.00166280  -0.28931840
   0.00000000   0.00000000   0.00164410   0.00188230
   0.00000000   0.00000000   0.00047630   0.00054530
   10    3
 597.54240000 129.86760000  24.16380000
 4300.67340000
  875.40347000
  260.65376000
   90.66479700
   39.89058500
   15.67928800
    6.65482990
    2.65489560
    0.86977410
    0.29274210
   0.02336510   0.01272470   0.00616030
   0.16083330   0.08759030   0.04240420
   0.47930810   0.26103260   0.12637110
   0.46961360   0.25575290   0.12381510
   0.02938500  -0.52401960  -0.37837000
   0.03559300  -0.63472580  -0.45830580
  -0.01017200  -0.02749760   0.68976400
  -0.00860400  -0.02325900   0.58344150
   0.00000000   0.00496500   0.01202720
   0.00000000   0.00417450   0.01011240
    7    2
  98.95800000  12.96444000
  423.53831000
  116.52193000
   41.04963200
   15.60117500
   12.55321900
    4.81079640
    1.75931080
   0.04059910   0.01960540
   0.24297640   0.11733350
   0.54115590   0.26132450
   0.36510440   0.17630910
   0.00831330  -0.30982710
   0.01750560  -0.65240900
   0.00838890  -0.31264420
Spectral Representation Operator
End of Spectral Representation Operator

/Ho.MCP-DZP.Sekiya.10s10p9d10f.5s4p3d3f.ECP.21el.
M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga. J. Comput. Chem. 27 (2006) 463-470. doi:10.1002/jcc.20357
HOLMIUM (10s,10p,9d,10f) -> [5s,4p,3d,3f]
*******************************************************************************
* Element : Ho
* Basis : MCP segmented  (88111/6121/315/622)
* Effective Charge : 21.0
* Term : 4I   Valence configuration : 1s(2)2s(2)2p(6)4f(11)
* SCF energy : -170.54902758 a.u.
* Valence Correlation energy : -0.57317079 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, H. Tatewaki,   [inner shell]
* Journal : J. Mol. Struct. (Theochem), 451, 143-150 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence shell]
* Journal : J. Comput. Chem. 27, 463 (2006)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Comput. Chem. 27, 463 (2006)
*******************************************************************************
    21.0   3
* s-type functions
   10    5
      15612.52300000
       1599.68000000
        105.12688000
         19.29894300
          3.75600880
          0.63221140
          0.26549550
          0.08843040
          0.04099350
          0.01894380
   0.00878800  -0.00226380   0.00000000   0.00000000   0.00000000
   0.04432140  -0.01141700   0.00000000   0.00000000   0.00000000
  -0.20090610   0.05112720   0.00000000   0.00000000   0.00000000
   0.53484620  -0.13688470   0.00000000   0.00000000   0.00000000
  -0.98805980   0.27133800   0.00000000   0.00000000   0.00000000
   0.97512450  -0.38048990   0.00000000   0.00000000   0.00000000
   0.28512620  -0.28231150   0.00000000   1.00000000   0.00000000
   0.00588320   0.32977450   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
* p-type functions
   10    4
       1164.49460000
        241.67646000
         27.80166000
          6.81180880
          4.41825660
          0.71615830
          0.25598620
          0.48226000
          0.07279300
          0.02738400
  -0.01506810   0.00000000   0.00000000   0.00000000
  -0.05499510   0.00000000   0.00000000   0.00000000
   0.21483910   0.00000000   0.00000000   0.00000000
  -0.09694660   0.00000000   0.00000000   0.00000000
  -0.38412410   0.00000000   0.00000000   0.00000000
   0.72870050   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000  -0.14970200   0.00000000
   0.00000000   0.00000000   1.04638200   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000
* d-type functions
    9    3
         10.14954100
          0.98317000
          0.33108900
          0.10376700
        624.81633200
        145.61608000
         46.44899500
          5.42854500
          1.23646800
  -0.04004300   0.00000000   0.00000000
   0.49160200   0.00000000   0.00000000
   0.62393300   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00884400
   0.00000000   0.00000000   0.07483900
   0.00000000   0.00000000   0.19777400
   0.00000000   0.00000000  -0.54335300
   0.00000000   0.00000000  -0.63425600
* f-type functions
   10    3
         75.70858100
         23.24890000
          8.59581380
          3.23588680
          1.14854040
          0.35289780
          4.30102900
          1.66442600
          1.28240100
          0.40899300
   0.03515600   0.00000000   0.00000000
   0.16503290   0.00000000   0.00000000
   0.36738740   0.00000000   0.00000000
   0.44277420   0.00000000   0.00000000
   0.30625260   0.00000000   0.00000000
   0.12728880   0.00000000   0.00000000
   0.00000000   0.51119300   0.00000000
   0.00000000   0.60137200   0.00000000
   0.00000000   0.00000000   0.54514900
   0.00000000   0.00000000   0.60983900
M1
  3
 852.85295000  55.85466000   4.38470520
   1.00491870   0.65895810   0.46151820
M2
  3
  30.731687e2  32.44921300   1.93439860
 116.48935000   4.21860210   0.08059480
COREREP
 1.0
PROJOP
    2
   14    4
  41.195694e2 698.45960000 159.83980000  33.42540000
   21.883717e4
18928.76000000
 3256.30470000
  774.19345000
 1371.84180000
  141.98922000
   62.08080600
  114.20220000
   19.57396300
    8.26836220
    4.38165090
    1.80850800
    0.65935160
    0.26162680
   0.01789950   0.00705340   0.00333180   0.00174030
   0.11139160   0.04389430   0.02073440   0.01083020
   0.41260610   0.16258930   0.07680260   0.04011640
   0.58383850   0.23006420   0.10867580   0.05676470
  -0.00513940   0.07810040   0.04367740   0.01276080
   0.03894590  -0.59183320  -0.33098130  -0.09669940
   0.03421150  -0.51988850  -0.29074640  -0.08494440
   0.00978180   0.00755150  -0.30796500  -0.31803500
  -0.03323480  -0.02565700   1.04635070   1.08056480
  -0.00844280  -0.00651780   0.26580940   0.27450100
   0.00000000   0.00610130  -0.00714970  -1.23866340
   0.00000000   0.00145910  -0.00170980  -0.29622300
   0.00000000   0.00000000   0.00162030   0.00154730
   0.00000000   0.00000000   0.00047840   0.00045690
   10    3
 619.63220000 135.16360000  25.09620000
 4531.66630000
  919.87552000
  273.53854000
   95.13226600
   41.54533200
   16.33846000
    6.95966840
    2.77034000
    0.90332660
    0.30241870
   0.02292360   0.01252190   0.00607650
   0.15809100   0.08635660   0.04190620
   0.47506550   0.25950270   0.12592860
   0.47435660   0.25911550   0.12574070
   0.03128390  -0.52111620  -0.37797850
   0.03822160  -0.63668080  -0.46180030
  -0.01198140  -0.02760720   0.68995050
  -0.01016570  -0.02342360   0.58539660
   0.00000000   0.00493900   0.01204890
   0.00000000   0.00418230   0.01020300
    7    2
 103.25620000  13.51000000
  440.60836000
  121.21925000
   42.73767800
   16.26009900
   13.11664100
    5.02758360
    1.83668530
   0.04041860   0.01960730
   0.24249550   0.11763600
   0.54128280   0.26257930
   0.36500990   0.17706840
   0.00837840  -0.31094090
   0.01758930  -0.65277480
   0.00841670  -0.31236180
Spectral Representation Operator
End of Spectral Representation Operator

/Er.MCP-DZP.Sekiya.10s10p9d10f.5s4p3d3f.ECP.22el.
M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga. J. Comput. Chem. 27 (2006) 463-470. doi:10.1002/jcc.20357
ERBIUM (10s,10p,9d,10f) -> [5s,4p,3d,3f]
*******************************************************************************
* Element : Er
* Basis : MCP segmented  (88111/6121/315/622)
* Effective Charge : 22.0
* Term : 3H   Valence configuration : 1s(2)2s(2)2p(6)4f(12)
* SCF energy : -194.08921954 a.u.
* Valence Correlation energy : -0.63689707 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, H. Tatewaki,   [inner shell]
* Journal : J. Mol. Struct. (Theochem), 451, 143-150 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence shell]
* Journal : J. Comput. Chem. 27, 463 (2006)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Comput. Chem. 27, 463 (2006)
*******************************************************************************
    22.0   3
* s-type functions
   10    5
      16464.50200000
       1670.70380000
        109.15900000
         20.12044300
          3.91767650
          0.65664410
          0.27496650
          0.09071070
          0.04194840
          0.01931730
   0.00910210  -0.00232560   0.00000000   0.00000000   0.00000000
   0.04589360  -0.01172570   0.00000000   0.00000000   0.00000000
  -0.20371140   0.05138890   0.00000000   0.00000000   0.00000000
   0.53714970  -0.13620350   0.00000000   0.00000000   0.00000000
  -0.98547710   0.26788280   0.00000000   0.00000000   0.00000000
   0.97313230  -0.37499410   0.00000000   0.00000000   0.00000000
   0.28492050  -0.27939040   1.00000000   0.00000000   0.00000000
   0.00725540   0.32529570   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
* p-type functions
   10    4
       1208.64040000
        250.50418000
         28.93734600
          6.82178000
          4.55291070
          0.74285810
          0.26431840
          0.49832200
          0.07461500
          0.02814700
  -0.01572400   0.00000000   0.00000000   0.00000000
  -0.05583040   0.00000000   0.00000000   0.00000000
   0.21618640   0.00000000   0.00000000   0.00000000
  -0.12098630   0.00000000   0.00000000   0.00000000
  -0.35990730   0.00000000   0.00000000   0.00000000
   0.72694370   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000  -0.14818700   0.00000000
   0.00000000   0.00000000   1.04557800   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000
* d-type functions
    9    3
         10.70578800
          0.99330700
          0.32263300
          0.10640100
        649.98558700
        151.24485000
         48.29492800
          5.76381800
          1.34050900
  -0.03752900   0.00000000   0.00000000
   0.49272700   0.00000000   0.00000000
   0.62890100   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00943200
   0.00000000   0.00000000   0.07993400
   0.00000000   0.00000000   0.21108600
   0.00000000   0.00000000  -0.57591000
   0.00000000   0.00000000  -0.59812700
* f-type functions
   10    3
         78.57173900
         24.15425200
          8.93221150
          3.35668840
          1.18638930
          0.36176860
          4.52121300
          1.75766500
          1.33777700
          0.42484800
   0.03530580   0.00000000   0.00000000
   0.16696680   0.00000000   0.00000000
   0.37074260   0.00000000   0.00000000
   0.44278380   0.00000000   0.00000000
   0.30286430   0.00000000   0.00000000
   0.12638300   0.00000000   0.00000000
   0.00000000   0.51232100   0.00000000
   0.00000000   0.59934800   0.00000000
   0.00000000   0.00000000   0.54798800
   0.00000000   0.00000000   0.60802700
M1
  3
 863.66404000  55.69366800   4.39625820
   0.99051740   0.62753680   0.43253340
M2
  3
  31.067685e2  33.01768400   1.96202390
 114.48621000   3.96660190   0.06839910
COREREP
 1.0
PROJOP
    2
   14    4
   4.258244e3 724.92520000 166.34920000  34.73300000
   23.272364e4
19939.19000000
 3403.28820000
  804.71137000
 1434.42570000
  147.95095000
   64.70675400
  118.83995000
   20.35643400
    8.59828570
    4.58838300
    1.90359620
    0.68599190
    0.27172900
   0.01796760   0.00710330   0.00336260   0.00175790
   0.11102700   0.04389320   0.02077850   0.01086230
   0.41143280   0.16265510   0.07699880   0.04025230
   0.58548760   0.23146560   0.10957280   0.05728090
  -0.00513450   0.07694500   0.04313370   0.01261360
   0.03918540  -0.58722390  -0.32918500  -0.09626340
   0.03498290  -0.52424690  -0.29388140  -0.08593960
   0.00985550   0.00768720  -0.30797550  -0.31901230
  -0.03351870  -0.02614400   1.04742470   1.08496100
  -0.00848830  -0.00662070   0.26525090   0.27475660
   0.00000000   0.00617350  -0.00714950  -1.23481260
   0.00000000   0.00151490  -0.00175440  -0.30300450
   0.00000000   0.00000000   0.00159680   0.00123390
   0.00000000   0.00000000   0.00048010   0.00037100
   10    3
 642.15960000 140.56740000  26.04500000
 4720.23440000
  955.62904000
  283.75467000
   98.62114300
   43.14297600
   16.96980700
    7.26191030
    2.88516210
    0.93732340
    0.31218350
   0.02287410   0.01252980   0.00609330
   0.15767180   0.08636810   0.04200150
   0.47463450   0.25999130   0.12643580
   0.47511360   0.26025370   0.12656350
   0.03143120  -0.52211070  -0.38000530
   0.03832280  -0.63658910  -0.46332550
  -0.01191930  -0.02735930   0.69142850
  -0.01010280  -0.02318970   0.58605410
   0.00000000   0.00463180   0.01202650
   0.00000000   0.00394690   0.01024820
    7    2
 107.63500000  14.06378000
  458.04328000
  126.01211000
   44.45953000
   16.93191800
   13.69180600
    5.24859090
    1.91543590
   0.04024790   0.01960820
   0.24204010   0.11791840
   0.54140860   0.26376630
   0.36491840   0.17778290
   0.00844110  -0.31199640
   0.01767030  -0.65312300
   0.00844420  -0.31211180
Spectral Representation Operator
End of Spectral Representation Operator

/Tm.MCP-DZP.Sekiya.10s10p9d10f.5s4p3d3f.ECP.23el.
M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga. J. Comput. Chem. 27 (2006) 463-470. doi:10.1002/jcc.20357
THULIUM (10s,10p,9d,10f) -> [5s,4p,3d,3f]
*******************************************************************************
* Element : Tm
* Basis : MCP segmented  (88111/6121/315/622)
* Effective Charge : 23.0
* Term : 2F   Valence configuration : 1s(2)2s(2)2p(6)4f(13)
* SCF energy : -219.38007792 a.u.
* Valence Correlation energy : -0.69974881 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, H. Tatewaki,   [inner shell]
* Journal : J. Mol. Struct. (Theochem), 451, 143-150 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence shell]
* Journal : J. Comput. Chem. 27, 463 (2006)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Comput. Chem. 27, 463 (2006)
*******************************************************************************
    23.0   3
* s-type functions
   10    5
      17370.57700000
       1744.88040000
        113.30209000
         20.96485300
          4.08278330
          0.68132730
          0.28448050
          0.09344130
          0.04312070
          0.01976770
   0.00942730  -0.00239260   0.00000000   0.00000000   0.00000000
   0.04753160  -0.01206310   0.00000000   0.00000000   0.00000000
  -0.20547460   0.05145400   0.00000000   0.00000000   0.00000000
   0.53769770  -0.13526090   0.00000000   0.00000000   0.00000000
  -0.97991030   0.26403670   0.00000000   0.00000000   0.00000000
   0.96832780  -0.36923140   0.00000000   0.00000000   0.00000000
   0.28868820  -0.27821730   1.00000000   0.00000000   0.00000000
   0.00529800   0.31901530   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
* p-type functions
   10    4
       3635.67330000
        741.02116000
        222.24831000
         31.30742200
          5.22524440
          0.75290280
          0.26695950
          0.51460000
          0.07642700
          0.02890400
  -0.00442060   0.00000000   0.00000000   0.00000000
  -0.02033820   0.00000000   0.00000000   0.00000000
  -0.04958500   0.00000000   0.00000000   0.00000000
   0.20879060   0.00000000   0.00000000   0.00000000
  -0.46114500   0.00000000   0.00000000   0.00000000
   0.73355970   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000  -0.14667000   0.00000000
   0.00000000   0.00000000   1.04477600   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000
* d-type functions
    9    3
         11.15163000
          1.00217200
          0.30399000
          0.10770900
        674.74663000
        156.76393100
         50.12701300
          6.10056800
          1.45001800
  -0.03556200   0.00000000   0.00000000
   0.50227700   0.00000000   0.00000000
   0.63197200   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00974200
   0.00000000   0.00000000   0.08260000
   0.00000000   0.00000000   0.21743200
   0.00000000   0.00000000  -0.58369800
   0.00000000   0.00000000  -0.58592500
* f-type functions
   10    3
         81.75957600
         25.16261000
          9.30820350
          3.49358600
          1.23057260
          0.37278760
          4.95062600
          2.04944900
          1.35112800
          0.43817900
   0.03593740   0.00000000   0.00000000
   0.17026990   0.00000000   0.00000000
   0.37039770   0.00000000   0.00000000
   0.44283640   0.00000000   0.00000000
   0.30184140   0.00000000   0.00000000
   0.12642230   0.00000000   0.00000000
   0.00000000   0.48373300   0.00000000
   0.00000000   0.61414900   0.00000000
   0.00000000   0.00000000   0.57872100
   0.00000000   0.00000000   0.57314300
M1
  3
 981.61140000  50.37763400   4.51925200
   0.97346830   0.59803550   0.40076010
M2
  3
  32.823648e2  32.63369500   2.02047440
 119.46871000   3.52286580   0.06788220
COREREP
 1.0
PROJOP
    2
   14    4
   4.399756e3 752.01680000 173.00540000  36.06152000
   24.743476e4
21000.97000000
 3556.19430000
  836.19151000
 1499.78160000
  154.14308000
   67.42775800
  123.62438000
   21.15959600
    8.93742840
    4.80094640
    2.00136930
    0.71293800
    0.28189170
   0.01804140   0.00715570   0.00339440   0.00177560
   0.11067670   0.04389720   0.02082310   0.01089260
   0.41025410   0.16271710   0.07718640   0.04037630
   0.58712540   0.23286880   0.11046350   0.05778360
  -0.00512840   0.07577690   0.04257670   0.01246320
   0.03941700  -0.58242190  -0.32724490  -0.09579260
   0.03578730  -0.52878880  -0.29711010  -0.08697140
   0.00992970   0.00782790  -0.30790390  -0.31983460
  -0.03380840  -0.02665220   1.04834530   1.08896690
  -0.00853810  -0.00673090   0.26475400   0.27501280
   0.00000000   0.00625230  -0.00713470  -1.23075940
   0.00000000   0.00157370  -0.00179580  -0.30978600
   0.00000000   0.00000000   0.00157340   0.00093580
   0.00000000   0.00000000   0.00048140   0.00028630
   10    3
 665.11760000 146.06848000  27.00174000
 4914.83820000
  992.36850000
  294.22228000
  102.18930000
   44.79810600
   17.62941800
    7.57190460
    3.00266650
    0.97146340
    0.32187720
   0.02282690   0.01253760   0.00610900
   0.15725930   0.08637440   0.04208630
   0.47420620   0.26045680   0.12690860
   0.47586780   0.26136940   0.12735330
   0.03154590  -0.52252070  -0.38150180
   0.03844420  -0.63678210  -0.46492610
  -0.01184300  -0.02736260   0.69227310
  -0.01004200  -0.02320140   0.58699650
   0.00000000   0.00458440   0.01201600
   0.00000000   0.00393190   0.01030560
    7    2
 112.08310000  14.61732400
  475.83066000
  130.89654000
   46.21356400
   17.61581300
   14.27766500
    5.47301210
    1.99508820
   0.04008870   0.01960720
   0.24162040   0.11817540
   0.54154310   0.26486630
   0.36481230   0.17842810
   0.00850070  -0.31300590
   0.01774570  -0.65342180
   0.00847140  -0.31192700
Spectral Representation Operator
End of Spectral Representation Operator

/Yb.MCP-DZP.Sekiya.10s10p9d10f.5s4p3d3f.ECP.24el.
M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga. J. Comput. Chem. 27 (2006) 463-470. doi:10.1002/jcc.20357
YTTERBIUM (10s,10p,9d,10f) -> [5s,4p,3d,3f]
*******************************************************************************
* Element : Yb
* Basis : MCP segmented  (88111/6121/315/622)
* Effective Charge : 24.0
* Term : 1S   Valence configuration : 1s(2)2s(2)2p(6)4f(14)
* SCF energy : -248.06819252 a.u.
* Valence Correlation energy : -0.76087395 a.u.
* References
* Authors : Y. Sakai, E. Miyoshi, H. Tatewaki,   [inner shell]
* Journal : J. Mol. Struct. (Theochem), 451, 143-150 (1998)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence shell]
* Journal : J. Comput. Chem. 27, 463 (2006)
* Authors : M. Sekiya, T. Noro, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Comput. Chem. 27, 463 (2006)
*******************************************************************************
    24.0   3
* s-type functions
   10    5
      18322.33200000
       1821.95850000
        117.56399000
         21.83250000
          4.25124910
          0.70613130
          0.29396550
          0.09586730
          0.04412930
          0.02015480
   0.00953670  -0.00239890   0.00000000   0.00000000   0.00000000
   0.04806440  -0.01209020   0.00000000   0.00000000   0.00000000
  -0.20967230   0.05205960   0.00000000   0.00000000   0.00000000
   0.54584620  -0.13614780   0.00000000   0.00000000   0.00000000
  -0.98582010   0.26322910   0.00000000   0.00000000   0.00000000
   0.97899410  -0.36989290   0.00000000   0.00000000   0.00000000
   0.27207860  -0.26805840   1.00000000   0.00000000   0.00000000
   0.01736340   0.31176290   0.00000000   0.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00000000   0.00000000   1.00000000
* p-type functions
   10    4
       3775.41400000
        767.77043000
        230.10780000
         32.52097100
          5.43604780
          0.77867020
          0.27486300
          0.53094800
          0.07819100
          0.02963400
  -0.00431850   0.00000000   0.00000000   0.00000000
  -0.02019550   0.00000000   0.00000000   0.00000000
  -0.05128870   0.00000000   0.00000000   0.00000000
   0.21314230   0.00000000   0.00000000   0.00000000
  -0.46348890   0.00000000   0.00000000   0.00000000
   0.73281990   0.00000000   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000   0.00000000
   0.00000000   0.00000000  -0.14510900   0.00000000
   0.00000000   0.00000000   1.04395800   0.00000000
   0.00000000   0.00000000   0.00000000   1.00000000
* d-type functions
    9    3
         11.53287100
          1.03383000
          0.30403700
          0.10571500
        702.98252500
        163.02444200
         52.13956500
          6.33200600
          1.47607900
  -0.03511600   0.00000000   0.00000000
   0.50274700   0.00000000   0.00000000
   0.63709500   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.00942100
   0.00000000   0.00000000   0.08009900
   0.00000000   0.00000000   0.21149300
   0.00000000   0.00000000  -0.56344400
   0.00000000   0.00000000  -0.60998200
* f-type functions
   10    3
         85.04581600
         26.20636300
          9.69977430
          3.63796310
          1.27840120
          0.38540960
          5.65687600
          2.50561200
          1.34358100
          0.44020300
   0.03872890   0.00000000   0.00000000
   0.16928680   0.00000000   0.00000000
   0.37687370   0.00000000   0.00000000
   0.44287730   0.00000000   0.00000000
   0.29580130   0.00000000   0.00000000
   0.12441670   0.00000000   0.00000000
   0.00000000   0.40549800   0.00000000
   0.00000000   0.67459400   0.00000000
   0.00000000   0.00000000   0.63030300
   0.00000000   0.00000000   0.51751600
M1
  3
  10.645824e2  44.56554100   4.61735110
   0.94222190   0.56570150   0.39951850
M2
  3
  36.309855e2  42.16745300   2.27192780
 118.69578000   3.80708110   0.06339590
COREREP
 1.0
PROJOP
    2
   14    4
   4.544144e3 779.74300000 179.80824000  37.40924000
   26.301364e4
22116.64200000
 3715.26090000
  868.66106000
 1568.06120000
  160.57903000
   70.24815200
  128.56035000
   21.98399000
    9.28619120
    5.01950990
    2.10186920
    0.74002710
    0.29203030
   0.01812140   0.00721080   0.00342720   0.00179360
   0.11034210   0.04390680   0.02086850   0.01092140
   0.40907160   0.16277600   0.07736600   0.04048890
   0.58874970   0.23427280   0.11134780   0.05827300
  -0.00512100   0.07459710   0.04200750   0.01231020
   0.03963880  -0.57741760  -0.32515830  -0.09528690
   0.03662560  -0.53352470  -0.30044110  -0.08804360
   0.01000380   0.00797370  -0.30775050  -0.32050520
  -0.03410280  -0.02718230   1.04911500   1.09259530
  -0.00859200  -0.00684840   0.26431700   0.27527150
   0.00000000   0.00633740  -0.00710370  -1.22649770
   0.00000000   0.00163580  -0.00183360  -0.31657940
   0.00000000   0.00000000   0.00154970   0.00065060
   0.00000000   0.00000000   0.00048220   0.00020240
   10    3
 688.50542000 151.66432000  27.96374000
 5115.69470000
 1030.12460000
  304.94820000
  105.83857000
   46.49419000
   18.30376300
    7.88840240
    3.12199680
    1.00541340
    0.33138070
   0.02278160   0.01254510   0.00612330
   0.15685210   0.08637340   0.04215950
   0.47377800   0.26089430   0.12734450
   0.47662280   0.26246080   0.12810910
   0.03166070  -0.52287970  -0.38286020
   0.03857200  -0.63702140  -0.46643640
  -0.01177260  -0.02736620   0.69303230
  -0.00998720  -0.02321600   0.58793100
   0.00000000   0.00454070   0.01200330
   0.00000000   0.00391970   0.01036190
    7    2
 116.59690000  15.16807600
  493.97407000
  135.87323000
   47.99997000
   18.31179600
   14.87395400
    5.70065670
    2.07552710
   0.03994040   0.01960430
   0.24123360   0.11840700
   0.54168510   0.26588050
   0.36469430   0.17900640
   0.00855750  -0.31397840
   0.01781580  -0.65366860
   0.00849830  -0.31180440
Spectral Representation Operator
End of Spectral Representation Operator

/Tl.MCP-DZP.Noro.9s8p10d.3s3p2d.ECP.13el.
T. Noro, M. Sekiya, Y. Osanai, E. Miyoshi, T. Koga. J. Chem. Phys. 119 (2003) 5142. doi:10.1063/1.1597651
THALLIUM (9s,8p,10d) -> [3s,3p,2d]
*******************************************************************************
* Element : Tl
* Basis : MCP segmented  (612/512/73)
* Effective Charge : 13.0
* Term : 2P   Valence configuration : 1s(2)2p(1)
* SCF energy : -50.88684189 a.u.
* Valence Correlation energy : -0.03449388 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : T. Noro, M. Sekiya, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Chem. Phys. 119, 5142 (2003)
*******************************************************************************
    13.0   2
* s-type functions
    9    3
       4986.29620000
        154.58440000
         34.49777700
          6.63095350
          1.67801910
          0.86195120
          0.24500890
          0.11426340
          0.04915260
  -0.01460200   0.00000000   0.00000000
   0.07477710   0.00000000   0.00000000
  -0.20372840   0.00000000   0.00000000
   0.44783020   0.00000000   0.00000000
  -0.44818120   0.00000000   0.00000000
  -0.41591140   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.60174490
   0.00000000   0.00000000   0.21301940
* p-type functions
    8    3
        563.48106000
         42.42257100
          8.99756940
          1.62609510
          0.85976670
          0.18465450
          0.07109740
          0.02789930
   0.01041610   0.00000000   0.00000000
  -0.04475330   0.00000000   0.00000000
   0.11873250   0.00000000   0.00000000
  -0.20137950   0.00000000   0.00000000
  -0.08073710   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.54681190
   0.00000000   0.00000000   0.24207630
* d-type functions
   10    2
        313.58598000
         84.04528200
         14.10281600
          8.79926820
          1.66546970
          0.65292510
          0.23268300
          1.48343800
          0.20549400
          0.07679600
   0.02533900   0.00000000
   0.10560820   0.00000000
  -0.10409940   0.00000000
  -0.22598260   0.00000000
   0.49602270   0.00000000
   0.49727490   0.00000000
   0.17429540   0.00000000
   0.00000000  -0.05240500
   0.00000000   0.62559900
   0.00000000   0.47636100
M1
  3
 329.82444000   6.21457450   3.18199670
   2.81779970   1.30620390   0.55079420
M2
  3
  65.622513e2  69.03256200   1.05247690
 509.30228000  19.12796300   0.22007000
COREREP
 1.0
PROJOP
    3
   14    5
  63.465857e2  11.418426e2 277.65398000  64.77128000  11.26166400
   50.367128e4
38564.86900000
 5904.38130000
 1289.24880000
 2536.35700000
  255.83200000
  110.49033000
  194.29043000
   32.44588200
   13.27226600
    7.86701390
    3.41055170
    1.48937020
    0.59946290
   0.01957830   0.00807610   0.00390210   0.00208580   0.00095220
   0.10866270   0.04482380   0.02165730   0.01157670   0.00528480
   0.39910820   0.16463370   0.07954530   0.04252000   0.01941070
   0.60323740   0.24883770   0.12022970   0.06426740   0.02933860
  -0.00479620   0.06161120   0.03545810   0.01071720   0.00310240
   0.03865040  -0.49650010  -0.28574280  -0.08636600  -0.02500060
   0.04758160  -0.61122940  -0.35177110  -0.10632320  -0.03077770
   0.01004380   0.01078300  -0.29994050  -0.32971390  -0.18016250
  -0.03539830  -0.03800350   1.05710860   1.16204210   0.63496390
  -0.00891920  -0.00957560   0.26635630   0.29279600   0.15998980
   0.00000000   0.01012350  -0.01900850  -1.29221750  -1.19475740
   0.00000000   0.00246000  -0.00461910  -0.31400840  -0.29032560
   0.00000000   0.00000000   0.00336630   0.00183410   1.18772000
   0.00000000   0.00000000   0.00080010   0.00043590   0.28228650
   10    4
 986.03038000 231.93078000  49.47462000   6.89535680
 7731.11340000
 1507.50630000
  437.66971000
  150.21225000
   68.40685500
   27.19751200
   12.21030500
    5.09510610
    1.95912390
    0.71582420
   0.02267180   0.01276940   0.00651900   0.00269710
   0.15429490   0.08690370   0.04436600   0.01835570
   0.47205590   0.26587660   0.13573520   0.05615820
   0.48162050   0.27126370   0.13848540   0.05729610
   0.03163160  -0.51481850  -0.40044840  -0.18152640
   0.03959490  -0.64442500  -0.50126190  -0.22722610
  -0.01025910  -0.03251660   0.68628690   0.44992100
  -0.00907910  -0.02877640   0.60734740   0.39816920
   0.00000000   0.00800500   0.01472470  -0.76754900
   0.00000000   0.00526090   0.00967720  -0.50443930
   10    2
 182.55623000  30.82802000
  748.10429000
  205.36768000
   73.05337800
   28.29821600
   24.98018700
   10.29172300
    4.16959520
    2.52821150
    0.90974970
    0.29823320
   0.03587160   0.01921280
   0.22423450   0.12009970
   0.53048050   0.28412470
   0.38264180   0.20494240
   0.00983520  -0.25840860
   0.02417980  -0.63529850
   0.01411770  -0.37092680
  -0.00300340  -0.00580280
  -0.00499280  -0.00964630
  -0.00237370  -0.00458610
    5    1
  10.20632100
  127.29940000
   39.99140900
   15.11231700
    5.86063780
    2.10619540
   0.04211780
   0.21737660
   0.45272660
   0.44535320
   0.16687680
Spectral Representation Operator
End of Spectral Representation Operator

/Pb.MCP-DZP.Noro.9s8p10d.3s3p2d.ECP.14el.
T. Noro, M. Sekiya, Y. Osanai, E. Miyoshi, T. Koga. J. Chem. Phys. 119 (2003) 5142. doi:10.1063/1.1597651
LEAD (9s,8p,10d) -> [3s,3p,2d]
*******************************************************************************
* Element : Pb
* Basis : MCP segmented  (612/512/73)
* Effective Charge : 14.0
* Term : 3P   Valence configuration : 1s(2)2p(2)
* SCF energy : -60.77565243 a.u.
* Valence Correlation energy : -0.04303459 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : T. Noro, M. Sekiya, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Chem. Phys. 119, 5142 (2003)
*******************************************************************************
    14.0   2
* s-type functions
    9    3
       5218.25350000
        159.91536000
         35.72089900
          6.90385540
          1.80989020
          0.97030590
          0.26251960
          0.12580450
          0.05650220
  -0.01919130   0.00000000   0.00000000
   0.08641890   0.00000000   0.00000000
  -0.22863320   0.00000000   0.00000000
   0.49044720   0.00000000   0.00000000
  -0.45437420   0.00000000   0.00000000
  -0.47215470   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.56694740
   0.00000000   0.00000000   0.17699660
* p-type functions
    8    3
        582.21444000
         43.74286600
          9.38041880
          1.68909510
          0.84801320
          0.22514210
          0.09217100
          0.03750520
   0.01345810   0.00000000   0.00000000
  -0.05644280   0.00000000   0.00000000
   0.14574760   0.00000000   0.00000000
  -0.25798770   0.00000000   0.00000000
  -0.08815260   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.54719110
   0.00000000   0.00000000   0.20585530
* d-type functions
   10    2
        323.97353000
         86.87383800
         14.67477400
          9.20980570
          1.78420470
          0.72224250
          0.26678260
          1.60276400
          0.24369300
          0.09421300
   0.02747020   0.00000000
   0.11884050   0.00000000
  -0.12188660   0.00000000
  -0.22690560   0.00000000
   0.50246900   0.00000000
   0.49116930   0.00000000
   0.16060480   0.00000000
   0.00000000  -0.06302500
   0.00000000   0.63910100
   0.00000000   0.45924900
M1
  3
 334.59419000   7.55415600   3.20115340
   2.31822680   1.26063970   0.53871610
M2
  3
  51.175772e2  65.83186100   1.11914760
 492.97687000  17.33224100   0.19191760
COREREP
 1.0
PROJOP
    3
   14    5
  65.312544e2  11.802097e2 288.50414000  68.16946000  12.31036000
   53.414413e4
40591.37300000
 6160.33130000
 1335.97750000
 2652.75610000
  267.01416000
  114.96889000
  201.49495000
   33.56451700
   13.74056700
    8.17737990
    3.55059830
    1.57817300
    0.64467660
   0.01974470   0.00817140   0.00395250   0.00211640   0.00097790
   0.10855200   0.04492460   0.02172990   0.01163530   0.00537610
   0.39798000   0.16470540   0.07966740   0.04265810   0.01971020
   0.60462080   0.25022450   0.12103270   0.06480720   0.02994410
  -0.00477180   0.06037320   0.03482430   0.01057340   0.00308640
   0.03861110  -0.48850590  -0.28177840  -0.08555420  -0.02497330
   0.04891770  -0.61890530  -0.35699490  -0.10839160  -0.03163950
   0.01008360   0.01101180  -0.29865260  -0.32992730  -0.18291750
  -0.03566890  -0.03895230   1.05642780   1.16705650   0.64703680
  -0.00901100  -0.00984050   0.26688600   0.29483420   0.16346130
   0.00000000   0.01042720  -0.01927240  -1.29811550  -1.22196000
   0.00000000   0.00251700  -0.00465210  -0.31334560  -0.29496280
   0.00000000   0.00000000   0.00333960   0.00207350   1.20583930
   0.00000000   0.00000000   0.00077060   0.00047850   0.27824150
   10    4
  10.166531e2 240.70348000  52.18310000   7.68784160
 8021.99810000
 1559.32270000
  451.83660000
  154.90290000
   70.81714700
   28.21050300
   12.67788000
    5.31622410
    2.07878480
    0.77554490
   0.02264350   0.01277570   0.00654860   0.00275870
   0.15391340   0.08683970   0.04451230   0.01875180
   0.47157350   0.26606710   0.13638080   0.05745350
   0.48240370   0.27217760   0.13951290   0.05877300
   0.03163590  -0.51172580  -0.40020630  -0.18502770
   0.03994890  -0.64619230  -0.50536870  -0.23364750
  -0.01015510  -0.03387840   0.68390640   0.45978060
  -0.00905540  -0.03020990   0.60984900   0.40999280
   0.00000000   0.00905790   0.01506720  -0.77426320
   0.00000000   0.00589880   0.00981230  -0.50422580
   10    2
 189.78712000  32.91214000
  773.90876000
  212.36873000
   75.56822600
   29.29983900
   26.06878400
   10.79896800
    4.40168740
    2.73560810
    1.01456270
    0.34590340
   0.03562060   0.01921430
   0.22315170   0.12037160
   0.52976510   0.28576390
   0.38376920   0.20701140
   0.00981790  -0.25403140
   0.02450250  -0.63398220
   0.01452280  -0.37576680
  -0.00294590  -0.00607560
  -0.00493960  -0.01018750
  -0.00223530  -0.00461010
    5    1
  11.67082200
  132.38094000
   41.78514800
   15.88522100
    6.21646510
    2.26579000
   0.04201450
   0.21670050
   0.45220380
   0.44441090
   0.16417020
Spectral Representation Operator
End of Spectral Representation Operator

/Bi.MCP-DZP.Noro.9s8p10d.3s3p2d.ECP.15el.
T. Noro, M. Sekiya, Y. Osanai, E. Miyoshi, T. Koga. J. Chem. Phys. 119 (2003) 5142. doi:10.1063/1.1597651
BISMUTH (9s,8p,10d) -> [3s,3p,2d]
*******************************************************************************
* Element : Bi
* Basis : MCP segmented  (612/512/73)
* Effective Charge : 15.0
* Term : 4S   Valence configuration : 1s(2)2p(3)
* SCF energy : -71.76783515 a.u.
* Valence Correlation energy : -0.04966287 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : T. Noro, M. Sekiya, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Chem. Phys. 119, 5142 (2003)
*******************************************************************************
    15.0   2
* s-type functions
    9    3
       5462.35560000
        165.40150000
         36.97710600
          7.18923360
          1.90324170
          1.02038350
          0.31750520
          0.15418830
          0.06881210
  -0.02180540   0.00000000   0.00000000
   0.09460430   0.00000000   0.00000000
  -0.24891400   0.00000000   0.00000000
   0.53007350   0.00000000   0.00000000
  -0.50251430   0.00000000   0.00000000
  -0.50422530   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.61438590
   0.00000000   0.00000000   0.19592010
* p-type functions
    8    3
        601.09977000
         45.19583100
          9.70747240
          1.94407370
          1.18731320
          0.24255120
          0.10345330
          0.04411510
   0.01634690   0.00000000   0.00000000
  -0.06728560   0.00000000   0.00000000
   0.17242110   0.00000000   0.00000000
  -0.22227680   0.00000000   0.00000000
  -0.16494330   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.50916690
   0.00000000   0.00000000   0.15442700
* d-type functions
   10    2
        334.89629000
         89.78876500
         14.96327000
          9.40084710
          1.90707050
          0.78945300
          0.29804340
          1.71781000
          0.28323800
          0.11230800
   0.02808850   0.00000000
   0.12894400   0.00000000
  -0.14948540   0.00000000
  -0.21585540   0.00000000
   0.51314760   0.00000000
   0.48522580   0.00000000
   0.14734200   0.00000000
   0.00000000  -0.07353400
   0.00000000   0.64939500
   0.00000000   0.44744200
M1
  3
 353.25227000   8.78853900   3.13093330
   2.05822420   1.24191060   0.50132820
M2
  3
  47.703445e2  60.02968500   1.15686700
 474.02126000  14.92359300   0.16038800
COREREP
 1.0
PROJOP
    3
   14    5
   6.719609e3  12.195256e2 299.65082000  71.67320000  13.38544700
    5.664029e5
42728.24600000
 6427.62810000
 1384.30190000
 2774.62920000
  278.76541000
  119.61999000
  208.94839000
   34.71407100
   14.22431800
    8.49744130
    3.69437480
    1.67008300
    0.69057680
   0.01991980   0.00827040   0.00400450   0.00214780   0.00100410
   0.10846270   0.04503200   0.02180430   0.01169470   0.00546710
   0.39685630   0.16476830   0.07978000   0.04279010   0.02000370
   0.60598090   0.25159340   0.12182040   0.06533840   0.03054470
  -0.00474740   0.05914960   0.03419790   0.01043350   0.00307150
   0.03855250  -0.48033950  -0.27771270  -0.08472790  -0.02494280
   0.05030310  -0.62674520  -0.36235860  -0.11055270  -0.03254530
   0.01012060   0.01124420  -0.29725670  -0.32999800  -0.18556860
  -0.03594030  -0.03993040   1.05562130   1.17189260   0.65899340
  -0.00910670  -0.01011770   0.26747700   0.29693830   0.16697810
   0.00000000   0.01074340  -0.01951970  -1.30395500  -1.24920280
   0.00000000   0.00257680  -0.00468180  -0.31275120  -0.29961900
   0.00000000   0.00000000   0.00331870   0.00235490   1.22543290
   0.00000000   0.00000000   0.00073930   0.00052460   0.27298750
   10    4
   1.047837e3 249.67610000  54.96600000   8.49338520
 8323.22660000
 1612.74270000
  466.39121000
  159.70005000
   73.16488400
   29.14382000
   13.14258800
    5.53468790
    2.19962180
    0.83634680
   0.02261280   0.01277910   0.00657620   0.00281890
   0.15351150   0.08675370   0.04464350   0.01913680
   0.47105690   0.26620780   0.13699070   0.05872210
   0.48327810   0.27311430   0.14054480   0.06024560
   0.03175420  -0.51090390  -0.40169310  -0.18927290
   0.04022380  -0.64717440  -0.50883450  -0.23975660
  -0.01012950  -0.03405370   0.68465820   0.47136730
  -0.00903330  -0.03036840   0.61056530   0.42035650
   0.00000000   0.00893300   0.01531730  -0.78298690
   0.00000000   0.00572990   0.00982490  -0.50222820
   10    2
 197.17268000  35.05390000
  801.68379000
  219.91023000
   78.28420800
   30.39039600
   27.15512400
   11.30529100
    4.63615900
    2.93897350
    1.11739340
    0.39205970
   0.03525900   0.01915050
   0.22151700   0.12031450
   0.52848240   0.28703940
   0.38565530   0.20946450
   0.00997540  -0.25044620
   0.02519320  -0.63251120
   0.01512790  -0.37980760
  -0.00312970  -0.00634310
  -0.00526570  -0.01067250
  -0.00227770  -0.00461640
    5    1
  13.18804500
  136.44528000
   43.28778800
   16.56258100
    6.54293610
    2.41885340
   0.04254380
   0.21788680
   0.45255070
   0.44183620
   0.16013340
Spectral Representation Operator
End of Spectral Representation Operator

/Po.MCP-DZP.Noro.9s8p10d.3s3p2d.ECP.16el.
T. Noro, M. Sekiya, Y. Osanai, E. Miyoshi, T. Koga. J. Chem. Phys. 119 (2003) 5142. doi:10.1063/1.1597651
POLONIUM (9s,8p,10d) -> [3s,3p,2d]
*******************************************************************************
* Element : Po
* Basis : MCP segmented  (612/512/73)
* Effective Charge : 16.0
* Term : 3P   Valence configuration : 1s(2)2p(4)
* SCF energy : -83.92176279 a.u.
* Valence Correlation energy : -0.06458747 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : T. Noro, M. Sekiya, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Chem. Phys. 119, 5142 (2003)
*******************************************************************************
    16.0   2
* s-type functions
    9    3
       5719.18700000
        171.04691000
         38.27198200
          7.48105310
          2.01579620
          1.09811340
          0.35592610
          0.17367040
          0.07745490
  -0.02649950   0.00000000   0.00000000
   0.10673100   0.00000000   0.00000000
  -0.27499340   0.00000000   0.00000000
   0.57235650   0.00000000   0.00000000
  -0.54115720   0.00000000   0.00000000
  -0.52576870   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.63882400
   0.00000000   0.00000000   0.17931220
* p-type functions
    8    3
        620.92876000
         46.52969900
         10.14210000
          1.90820810
          1.07883460
          0.28884900
          0.12202470
          0.05067060
   0.01881330   0.00000000   0.00000000
  -0.07668770   0.00000000   0.00000000
   0.18976900   0.00000000   0.00000000
  -0.31502690   0.00000000   0.00000000
  -0.10900720   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.52438110
   0.00000000   0.00000000   0.16694360
* d-type functions
   10    2
        345.97725000
         92.79841300
         15.29286800
          9.67503960
          2.02934460
          0.85662020
          0.32932400
          1.82240300
          0.30376900
          0.12287400
   0.03185120   0.00000000
   0.15138880   0.00000000
  -0.19904440   0.00000000
  -0.19124470   0.00000000
   0.52252410   0.00000000
   0.47192550   0.00000000
   0.13954710   0.00000000
   0.00000000  -0.07634500
   0.00000000   0.66111800
   0.00000000   0.43250900
M1
  3
 376.19234000  10.39235800   3.11130800
   1.74620470   1.20931890   0.49981120
M2
  3
  46.121833e2  55.43822500   1.09923790
 476.98253000  13.87211200   0.09689320
COREREP
 1.0
PROJOP
    3
   14    5
  69.117656e2  12.598424e2 311.13778000  75.32016000  14.52273700
   60.053586e4
44980.41200000
 6706.59560000
 1434.23290000
 2902.70690000
  291.15991000
  124.45999000
  216.66027000
   35.89476700
   14.72367200
    8.82741190
    3.84212980
    1.76555860
    0.73742730
   0.02010310   0.00837370   0.00405860   0.00218020   0.00103070
   0.10839260   0.04514950   0.02188340   0.01175530   0.00555760
   0.39573310   0.16483730   0.07989470   0.04291780   0.02029030
   0.60731690   0.25296970   0.12261150   0.06586440   0.03113880
  -0.00472140   0.05792080   0.03356620   0.01029230   0.00305570
   0.03846980  -0.47193520  -0.27349560  -0.08386110  -0.02489730
   0.05174750  -0.63482250  -0.36789190  -0.11280550  -0.03349050
   0.01015530   0.01148300  -0.29576990  -0.32994280  -0.18810660
  -0.03621280  -0.04094740   1.05469170   1.17654960   0.67077320
  -0.00920560  -0.01040920   0.26811200   0.29908940   0.17051650
   0.00000000   0.01107540  -0.01974980  -1.30970660  -1.27634420
   0.00000000   0.00264040  -0.00470850  -0.31224190  -0.30428810
   0.00000000   0.00000000   0.00330150   0.00267320   1.24565420
   0.00000000   0.00000000   0.00070850   0.00057370   0.26732320
   10    4
  10.796279e2 258.88636000  57.85890000   9.34772680
 8633.44290000
 1667.49340000
  481.25748000
  164.59368000
   75.57288400
   30.10294600
   13.61898600
    5.75933890
    2.32335720
    0.89857720
   0.02258650   0.01278440   0.00660430   0.00287820
   0.15312950   0.08667450   0.04477530   0.01951320
   0.47055970   0.26634670   0.13759250   0.05996310
   0.48410250   0.27401230   0.14155240   0.06168890
   0.03187820  -0.50995630  -0.40304900  -0.19337860
   0.04052010  -0.64820170  -0.51231250  -0.24580210
  -0.01011170  -0.03428120   0.68530550   0.48269860
  -0.00902000  -0.03058000   0.61131700   0.43058440
   0.00000000   0.00885970   0.01559450  -0.79256660
   0.00000000   0.00558470   0.00983010  -0.49959730
   10    2
 204.74861000  37.28855800
  828.63676000
  227.20325000
   80.90108400
   31.43327000
   28.28874000
   11.83466000
    4.87843150
    3.14280980
    1.22119930
    0.43903440
   0.03502440   0.01915160
   0.22048860   0.12056470
   0.52778770   0.28859800
   0.38673640   0.21147020
   0.00995750  -0.24655330
   0.02550150  -0.63142970
   0.01551390  -0.38413160
  -0.00310280  -0.00660160
  -0.00522480  -0.01111650
  -0.00217070  -0.00461840
    5    1
  14.79304300
  138.98147000
   44.27567800
   17.04614000
    6.80336500
    2.55404560
   0.04405980
   0.22245180
   0.45473990
   0.43604280
   0.15349350
Spectral Representation Operator
End of Spectral Representation Operator

/At.MCP-DZP.Noro.9s8p10d.3s3p2d.ECP.17el.
T. Noro, M. Sekiya, Y. Osanai, E. Miyoshi, T. Koga. J. Chem. Phys. 119 (2003) 5142. doi:10.1063/1.1597651
ASTATINE (9s,8p,10d) -> [3s,3p,2d]
*******************************************************************************
* Element : At
* Basis : MCP segmented  (612/512/73)
* Effective Charge : 17.0
* Term : 2P   Valence configuration : 1s(2)2p(5)
* SCF energy : -97.18882198 a.u.
* Valence Correlation energy : -0.07926102 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : T. Noro, M. Sekiya, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Chem. Phys. 119, 5142 (2003)
*******************************************************************************
    17.0   2
* s-type functions
    9    3
       5990.17470000
        176.79162000
         39.64335800
          7.75654280
          2.23770380
          1.27120950
          0.36477870
          0.17984320
          0.08231550
  -0.02792830   0.00000000   0.00000000
   0.11426900   0.00000000   0.00000000
  -0.29558670   0.00000000   0.00000000
   0.62128280   0.00000000   0.00000000
  -0.50637010   0.00000000   0.00000000
  -0.59964810   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.59053270
   0.00000000   0.00000000   0.14050380
* p-type functions
    8    3
        641.23815000
         47.89584200
         10.58036200
          1.93897550
          0.90279800
          0.34053160
          0.14297830
          0.05871290
   0.02188220   0.00000000   0.00000000
  -0.08744810   0.00000000   0.00000000
   0.21189290   0.00000000   0.00000000
  -0.39546350   0.00000000   0.00000000
  -0.07453520   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.53939400
   0.00000000   0.00000000   0.17029410
* d-type functions
   10    2
        357.27673000
         95.85673700
         15.63088100
          9.93281670
          2.15430500
          0.92420440
          0.35987060
          1.92654700
          0.33433800
          0.13786000
   0.03226500   0.00000000
   0.16061540   0.00000000
  -0.23693510   0.00000000
  -0.16990170   0.00000000
   0.52786770   0.00000000
   0.46940650   0.00000000
   0.12680470   0.00000000
   0.00000000  -0.08301000
   0.00000000   0.67504900
   0.00000000   0.41686200
M1
  3
 392.61221000  11.25226000   3.70086820
   1.80588330   1.09135430   0.47532820
M2
  3
  47.015056e2  45.29843300   1.32453540
 442.09107000  12.29301700   0.12991140
COREREP
 1.0
PROJOP
    3
   14    5
  71.078476e2  13.011571e2 322.93212000  79.07278000  15.68501200
   63.666271e4
47355.86000000
 6998.00380000
 1485.86940000
 3037.21460000
  304.24312000
  129.49597000
  224.64639000
   37.11120200
   15.24462500
    9.16721800
    3.99334570
    1.86457820
    0.78509060
   0.02029520   0.00848130   0.00411480   0.00221350   0.00105780
   0.10834300   0.04527620   0.02196610   0.01181640   0.00564680
   0.39461250   0.16490720   0.08000620   0.04303840   0.02056700
   0.60862740   0.25434330   0.12339690   0.06637990   0.03172140
  -0.00469480   0.05669580   0.03294290   0.01016000   0.00304430
   0.03836570  -0.46331960  -0.26921010  -0.08302790  -0.02487850
   0.05325300  -0.64310370  -0.37367300  -0.11524560  -0.03453220
   0.01018370   0.01172300  -0.29407690  -0.32962400  -0.19043490
  -0.03648300  -0.04199730   1.05352280   1.18086960   0.68222830
  -0.00931130  -0.01071870   0.26888380   0.30138570   0.17412070
   0.00000000   0.01142170  -0.01991320  -1.31536450  -1.30327550
   0.00000000   0.00270700  -0.00471950  -0.31174480  -0.30887970
   0.00000000   0.00000000   0.00328200   0.00303740   1.26628550
   0.00000000   0.00000000   0.00067750   0.00062700   0.26138560
   10    4
  11.119884e2 268.29584000  60.82276000  10.21378300
 8953.69050000
 1723.75090000
  496.47987000
  169.59196000
   78.04048100
   31.08456900
   14.10623200
    5.98943270
    2.44980590
    0.96196720
   0.02256170   0.01279000   0.00663230   0.00293610
   0.15275000   0.08659240   0.04490280   0.01987840
   0.47005840   0.26647130   0.13817950   0.06117170
   0.48492990   0.27490180   0.14255120   0.06310710
   0.03200250  -0.50895560  -0.40432810  -0.19736210
   0.04082510  -0.64926740  -0.51579560  -0.25177200
  -0.01009800  -0.03452140   0.68602290   0.49386380
  -0.00900840  -0.03079650   0.61200060   0.44057560
   0.00000000   0.00881120   0.01588000  -0.80300420
   0.00000000   0.00544570   0.00981460  -0.49629590
   10    2
 212.47517000  39.57658600
  856.19018000
  234.64886000
   83.57131100
   32.49776700
   29.44780200
   12.37653200
    5.12643720
    3.34602410
    1.32472140
    0.48531860
   0.03479400   0.01915070
   0.21947020   0.12079670
   0.52708880   0.29011040
   0.38781730   0.21345520
   0.00994210  -0.24282630
   0.02581130  -0.63041680
   0.01589790  -0.38829110
  -0.00309530  -0.00686270
  -0.00520150  -0.01153260
  -0.00208200  -0.00461620
    5    1
  16.44627400
  144.49196000
   46.19545500
   17.87265200
    7.18667000
    2.72933120
   0.04378590
   0.22141080
   0.45406710
   0.43562530
   0.15188930
Spectral Representation Operator
End of Spectral Representation Operator

/Rn.MCP-DZP.Noro.9s8p10d.3s3p2d.ECP.18el.
T. Noro, M. Sekiya, Y. Osanai, E. Miyoshi, T. Koga. J. Chem. Phys. 119 (2003) 5142. doi:10.1063/1.1597651
RADON (9s,8p,10d) -> [3s,3p,2d]
*******************************************************************************
* Element : Rn
* Basis : MCP segmented  (612/512/73)
* Effective Charge : 18.0
* Term : 1S   Valence configuration : 1s(2)2p(6)
* SCF energy : -111.37130052 a.u.
* Valence Correlation energy : -0.09117676 a.u.
* References
* Authors : E. Miyoshi, Y. Sakai, K. Tanaka, M. Masamura,   [inner and valence shell]
* Journal : J. Mol. Struct. (THEOCHEM), 451, 73-79 (1998)
* Authors : T. Noro, M. Sekiya, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Chem. Phys. 119, 5142 (2003)
*******************************************************************************
    18.0   2
* s-type functions
    9    3
       6274.55550000
        182.88388000
         40.95536500
          8.10092270
          2.23677890
          1.27159650
          0.43182350
          0.22091870
          0.10204850
  -0.03113930   0.00000000   0.00000000
   0.12252360   0.00000000   0.00000000
  -0.31204320   0.00000000   0.00000000
   0.64692950   0.00000000   0.00000000
  -0.62766450   0.00000000   0.00000000
  -0.54592420   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.63890590
   0.00000000   0.00000000   0.19187790
* p-type functions
    8    3
        661.78804000
         49.37687600
         10.96573100
          2.38249740
          1.71708430
          0.33656580
          0.14308340
          0.06091660
   0.02484800   0.00000000   0.00000000
  -0.09540260   0.00000000   0.00000000
   0.22806280   0.00000000   0.00000000
  -0.19003900   0.00000000   0.00000000
  -0.28637300   0.00000000   0.00000000
   0.00000000   1.00000000   0.00000000
   0.00000000   0.00000000   0.48257240
   0.00000000   0.00000000   0.12590050
* d-type functions
   10    2
        368.73891000
         98.94864400
         16.21745300
         10.41379300
          2.27025000
          0.98664350
          0.38808440
          2.03335400
          0.36914500
          0.15451900
   0.03660530   0.00000000
   0.17004440   0.00000000
  -0.22151730   0.00000000
  -0.18034540   0.00000000
   0.55053650   0.00000000
   0.45217500   0.00000000
   0.12182520   0.00000000
   0.00000000  -0.09042100
   0.00000000   0.68470900
   0.00000000   0.40694600
M1
  3
 559.91707000  22.50929000   3.45627370
   1.69548370   1.29840410   0.58718870
M2
  3
  50.991392e2  44.97360700   1.24054940
 365.14049000   9.20536680   0.06562750
COREREP
 1.0
PROJOP
    3
   14    5
   7.307910e3  13.434916e2 335.04200000  82.93474000  16.87538700
    6.748933e5
49861.47600000
 7302.41990000
 1539.26160000
 3178.28760000
  318.06118000
  134.73430000
  232.87555000
   38.36432500
   15.78896500
    9.51950170
    4.15148610
    1.96718970
    0.83354640
   0.02049630   0.00859330   0.00417260   0.00224770   0.00108520
   0.10831450   0.04541210   0.02205040   0.01187840   0.00573480
   0.39349540   0.16497740   0.08010690   0.04315300   0.02083400
   0.60991200   0.25571250   0.12416450   0.06688650   0.03229240
  -0.00466720   0.05547730   0.03231800   0.01002690   0.00303170
   0.03823760  -0.45451220  -0.26477400  -0.08214780  -0.02483840
   0.05481630  -0.65157530  -0.37957220  -0.11776460  -0.03560760
   0.01021130   0.01197030  -0.29233560  -0.32923920  -0.19266210
  -0.03675010  -0.04308090   1.05210790   1.18492260   0.69338540
  -0.00942370  -0.01104710   0.26978790   0.30384510   0.17780210
   0.00000000   0.01177830  -0.01999010  -1.32043980  -1.32940390
   0.00000000   0.00278100  -0.00471980  -0.31176790  -0.31388440
   0.00000000   0.00000000   0.00325730   0.00340200   1.28701040
   0.00000000   0.00000000   0.00064630   0.00067500   0.25535500
   10    4
  11.449259e2 277.90762000  63.85958000  11.09442300
 9284.30440000
 1781.55760000
  512.06667000
  174.69686000
   80.56917500
   32.08910400
   14.60451000
    6.22501530
    2.57915430
    1.02651510
   0.02253830   0.01279580   0.00666000   0.00299250
   0.15237320   0.08650770   0.04502580   0.02023130
   0.46955320   0.26658200   0.13875150   0.06234470
   0.48575990   0.27578310   0.14354050   0.06449650
   0.03212730  -0.50790450  -0.40552980  -0.20121160
   0.04113890  -0.65037030  -0.51927980  -0.25765090
  -0.01008790  -0.03477340   0.68679550   0.50482660
  -0.00899850  -0.03101820   0.61262800   0.45031000
   0.00000000   0.00878320   0.01616950  -0.81401330
   0.00000000   0.00531470   0.00978410  -0.49255500
   10    2
 220.35392000  41.91956000
  886.06278000
  242.72960000
   86.47772400
   33.66670300
   30.59515200
   12.91376200
    5.37623720
    3.55075190
    1.42907960
    0.53148690
   0.03444230   0.01907750
   0.21784220   0.12066210
   0.52575110   0.29121180
   0.38973070   0.21587060
   0.01012050  -0.23994730
   0.02653620  -0.62914610
   0.01651820  -0.39163000
  -0.00331980  -0.00710690
  -0.00555900  -0.01190080
  -0.00215120  -0.00460530
    5    1
  18.14919000
  145.96212000
   46.72784400
   18.14778800
    7.36523580
    2.84159980
   0.04613230
   0.22953180
   0.45881010
   0.42617850
   0.14255530
Spectral Representation Operator
End of Spectral Representation Operator

/Fr.MCP-DZP.Anjima.10s11p.3s2p.ECP.9el.
H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi. J. Comput. Chem. 28 (2007) 2424-2430. doi:10.1002/jcc.20612
FRANCIUM (10s,11p) -> [3s,2p]
*******************************************************************************
* Element : Fr
* Basis : MCP segmented  (991/83)
* Effective Charge : 9.0
* Term : 2S   Valence configuration : 1s(2)2p(6)2s(1)
* SCF energy : -19.14872568 a.u.
* References
* Authors : H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi,   [inner and valence shell]
* Journal : J. Comput. Chem. 28, 2424-2430 (2007)
* Authors : T. Noro, M. Sekiya, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Chem. Phys. 119, 5142 (2003)
*******************************************************************************
     9.0   1
* s-type functions
   10    3
       6573.29390000
        189.36728000
         42.19467000
          8.51414550
          2.17526240
          1.34605290
          0.36852560
          0.15375130
          0.03159920
          0.01416560
  -0.01619720   0.00414400   0.00000000
   0.10262970  -0.02625750   0.00000000
  -0.30630030   0.07851140   0.00000000
   0.69856480  -0.18185090   0.00000000
  -0.83098970   0.23828500   0.00000000
  -0.37333010   0.09462080   0.00000000
   0.99136200  -0.37730670   0.00000000
   0.35202230  -0.27761780   0.00000000
   0.00836470   0.71467610   0.00000000
   0.00000000   0.00000000   1.00000000
* p-type functions
   11    2
        683.35937000
         50.72296000
         15.17766900
          6.49306600
          2.71695170
          1.09524400
          0.33243630
          0.12129430
          0.19615000
          0.03616700
          0.01571800
   0.02094600   0.00000000
  -0.10645820   0.00000000
   0.14881800   0.00000000
   0.22507490   0.00000000
  -0.52361600   0.00000000
  -0.11632760   0.00000000
   0.78336830   0.00000000
   0.35952180   0.00000000
   0.00000000  -0.14884500
   0.00000000   0.82260100
   0.00000000   0.26679100
M1
  3
 194.03494000  18.46967900   3.06090990
   4.48049570   1.88298910   1.05536250
M2
  3
  88.198531e2  17.35581400   1.44948490
  11.798805e2  17.45806100   0.95960100
COREREP
 1.0
PROJOP
    3
   16    5
  75.123008e2  13.872443e2 347.85060000  87.28237800  18.46371100
   72.269049e4
53108.93800000
 7712.36710000
 1613.53070000
 3378.13580000
  328.89934000
  139.58125000
  241.79016000
   39.56471400
   16.02363500
    9.82949530
    4.11838140
    2.06248600
    0.83827880
    0.37172740
    0.15014260
   0.02054430   0.00863450   0.00419530   0.00226370   0.00110380
   0.10731460   0.04510270   0.02191460   0.01182450   0.00576590
   0.38875150   0.16338640   0.07938650   0.04283460   0.02088730
   0.61354100   0.25786210   0.12529050   0.06760310   0.03296500
  -0.00480780   0.05371810   0.03142890   0.00985110   0.00302390
   0.04033520  -0.45066560  -0.26367100  -0.08264510  -0.02536870
   0.05848540  -0.65345810  -0.38231880  -0.11983410  -0.03678420
   0.01089230   0.01201250  -0.28928750  -0.32709140  -0.19370050
  -0.03975550  -0.04384420   1.05586560   1.19384510   0.70698410
  -0.01021080  -0.01126100   0.27118940   0.30662820   0.18158240
   0.00000000   0.01241260  -0.02591820  -1.34861640  -1.37603900
   0.00000000   0.00280000  -0.00584660  -0.30421840  -0.31040430
   0.00000000   0.00000000   0.00451830   0.01404020   1.33575580
   0.00000000   0.00000000   0.00079580   0.00247290   0.23526470
   0.00000000   0.00000000   0.00000000  -0.00228030  -0.00378440
   0.00000000   0.00000000   0.00000000  -0.00082430  -0.00136810
   10    4
  11.788225e2 288.09880000  67.34266000  12.35661000
 9711.09540000
 1857.04600000
  532.78560000
  181.69358000
   83.65691200
   33.35476100
   15.17766900
    6.49306600
    2.71695170
    1.09524400
   0.02223380   0.01264410   0.00660640   0.00301050
   0.15028200   0.08546380   0.04465360   0.02034870
   0.46567000   0.26482180   0.13836550   0.06305340
   0.49012160   0.27872710   0.14563090   0.06636430
   0.03289260  -0.49966360  -0.40121500  -0.20223890
   0.04319470  -0.65616090  -0.52687760  -0.26558120
  -0.01043190  -0.03578660   0.68143220   0.51123840
  -0.00946180  -0.03245870   0.61806460   0.46369740
   0.00000000   0.00909250   0.01666750  -0.82244310
   0.00000000   0.00543270   0.00995860  -0.49140100
    8    3
 228.76084000  44.69073400   5.09067240
  898.63885000
  245.93257000
   87.53194700
   34.17113900
   22.51564700
    7.85224040
    3.02783270
    0.97322300
   0.03538890   0.01921420   0.00758650
   0.22259340   0.12085580   0.04771880
   0.53061440   0.28809390   0.11375120
   0.38144230   0.20710180   0.08177220
   0.02070560  -0.52081350  -0.26062270
   0.02737960  -0.68868470  -0.34462790
  -0.00364360  -0.03351630   0.60048030
  -0.00378870  -0.03485110   0.62439410
    5    1
  20.27455200
  179.98265000
   57.12756900
   21.99179700
    8.81386400
    3.35390700
   0.03286750
   0.18719520
   0.43487220
   0.46538600
   0.17851610
Spectral Representation Operator
End of Spectral Representation Operator

/Ra.MCP-DZP.Anjima.10s11p.3s2p.ECP.10el.
H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi. J. Comput. Chem. 28 (2007) 2424-2430. doi:10.1002/jcc.20612
RADIUM (10s,11p) -> [3s,2p]
*******************************************************************************
* Element : Ra
* Basis : MCP segmented  (991/83)
* Effective Charge : 10.0
* Term : 1S   Valence configuration : 1s(2)2p(6)2s(2)
* SCF energy : -23.9992967 a.u.
* Valence Correlation energy : -0.01783006 a.u.
* References
* Authors : H. Anjima, S. Tsukamoto, H. Mori, H. Mine, M. Klobukowski, E. Miyoshi,   [inner and valence shell]
* Journal : J. Comput. Chem. 28, 2424-2430 (2007)
* Authors : T. Noro, M. Sekiya, Y. Osanai, E. Miyoshi, T. Koga,   [valence correlated set]
* Journal : J. Chem. Phys. 119, 5142 (2003)
*******************************************************************************
    10.0   1
* s-type functions
   10    3
       6899.41620000
        194.76307000
         44.15176400
          8.71530980
          2.17269960
          0.87947920
          0.41408700
          0.17583380
          0.03919890
          0.01628440
  -0.01671050   0.00504650   0.00000000
   0.10726710  -0.03239390   0.00000000
  -0.31716400   0.09597350   0.00000000
   0.74538360  -0.22938120   0.00000000
  -1.14147200   0.38040260   0.00000000
  -0.20236150   0.08798710   0.00000000
   1.10689610  -0.59453260   0.00000000
   0.32143320  -0.20678600   0.00000000
   0.00536530   0.93241600   0.00000000
   0.00000000   0.00000000   1.00000000
* p-type functions
   11    2
        704.93072000
         52.27103700
         15.72124900
          6.75162370
          2.85909330
          1.16639370
          0.37361850
          0.14111420
          0.23222100
          0.07654700
          0.03424900
   0.02155190   0.00000000
  -0.11100640   0.00000000
   0.15436320   0.00000000
   0.25013850   0.00000000
  -0.56849900   0.00000000
  -0.12876610   0.00000000
   0.82441640   0.00000000
   0.32756630   0.00000000
   0.00000000  -0.24456500
   0.00000000   0.50168300
   0.00000000   0.65870000
M1
  3
 193.35201000  18.18627100   3.02334860
   4.02918220   1.65053610   0.92064280
M2
  3
  82.050761e2  16.50984600   1.49945680
  11.223798e2  14.70524000   0.79488100
COREREP
 1.0
PROJOP
    3
   16    5
  77.208914e2  14.320702e2 360.98166000  91.73761600  20.07940000
   76.611789e4
55949.92600000
 8051.95760000
 1671.97920000
 3539.41890000
  344.11427000
  145.26059000
  250.65977000
   40.89281100
   16.61568200
   10.19603500
    4.24125180
    2.17269960
    0.87947920
    0.41408700
    0.17583380
   0.02076060   0.00875360   0.00425640   0.00229940   0.00113180
   0.10731150   0.04524750   0.02200150   0.01188550   0.00585050
   0.38756030   0.16341320   0.07945950   0.04292490   0.02112920
   0.61478260   0.25922060   0.12604570   0.06809130   0.03351700
  -0.00478020   0.05250170   0.03081170   0.00972930   0.00301850
   0.04017920  -0.44129300  -0.25898150  -0.08177750  -0.02537110
   0.06031050  -0.66239720  -0.38874080  -0.12275110  -0.03808300
   0.01092390   0.01226350  -0.28714450  -0.32616720  -0.19547910
  -0.04009390  -0.04501060   1.05390380   1.19712850   0.71746510
  -0.01035420  -0.01162390   0.27216840   0.30915590   0.18528380
   0.00000000   0.01281150  -0.02567030  -1.35528900  -1.40408970
   0.00000000   0.00288190  -0.00577440  -0.30486540  -0.31584290
   0.00000000   0.00000000   0.00448330   0.01735140   1.36088810
   0.00000000   0.00000000   0.00075580   0.00292530   0.22943110
   0.00000000   0.00000000   0.00000000  -0.00287000  -0.00494180
   0.00000000   0.00000000   0.00000000  -0.00092510  -0.00159290
   10    4
  12.132956e2 298.48648000  70.89262600  13.63065700
10066.47900000
 1918.58700000
  549.26537000
  187.06880000
   86.49998600
   34.54681200
   15.72124900
    6.75162370
    2.85909330
    1.16639370
   0.02221480   0.01265210   0.00663430   0.00306310
   0.14991980   0.08538460   0.04477240   0.02067190
   0.46515750   0.26492360   0.13891560   0.06413870
   0.49094030   0.27960770   0.14661550   0.06769380
   0.03284950  -0.49603800  -0.40023310  -0.20470310
   0.04359060  -0.65823130  -0.53110040  -0.27163640
  -0.01031340  -0.03730550   0.67874600   0.51926270
  -0.00943130  -0.03411490   0.62069560   0.47485230
   0.00000000   0.01029530   0.01697250  -0.83063560
   0.00000000   0.00608270   0.01002780  -0.49076290
    8    3
 237.31104000  47.51047000   6.00096520
  927.36595000
  253.65993000
   90.29412800
   35.27567600
   23.35012700
    8.18562850
    3.23261770
    1.06049040
   0.03517920   0.01922170   0.00778510
   0.22166280   0.12111500   0.04905330
   0.53002210   0.28960040   0.11729230
   0.38239860   0.20894000   0.08462370
   0.02088590  -0.51885530  -0.26805840
   0.02777120  -0.68990200  -0.35642690
  -0.00360360  -0.03387760   0.60146560
  -0.00375090  -0.03526210   0.62604760
    5    1
  22.44349000
  188.36163000
   59.88902400
   23.11762100
    9.30829950
    3.56978360
   0.03212080
   0.18455700
   0.43310050
   0.46688590
   0.17890120
Spectral Representation Operator
End of Spectral Representation Operator