************************************************************************
* 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/>.                        *
************************************************************************
/H.6-31G*..4s.2s.
P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
HYDROGEN     (4s) -> [2s]
Options
FockOperator
EndOptions
          1.   0
* S-type functions
    4    2
      18.73113700
       2.82539370
       0.64012170
       0.16127780
  0.03349460  0.00000000
  0.23472695  0.00000000
  0.81375733  0.00000000
  0.00000000  1.00000000
    2
   -0.091026   -0.141714
   -0.141714   -0.220629
/He.6-31G*..4s.2s.
P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
HELIUM       (4s) -> [2s]
Options
FockOperator
EndOptions
          2.   0
* S-type functions
    4    2
      38.42163400
       5.77803000
       1.24177400
       0.29796400
  0.02376600  0.00000000
  0.15467900  0.00000000
  0.46963000  0.00000000
  0.00000000  1.00000000
    2
   -0.320465   -0.277981
   -0.277981   -0.241130
/Li.6-31G*..10s4p1d.3s2p1d.
P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
LITHIUM      (10s,4p,1d) -> [3s,2p,1d]
Options
FockOperator
EndOptions
          3.   2
* S-type functions
   10    3
     642.41892000
      96.79851500
      22.09112100
       6.20107030
       1.93511770
       0.63673580
       2.32491840
       0.63243060
       0.07905340
       0.03596200
  0.00214260  0.00000000  0.00000000
  0.01620890  0.00000000  0.00000000
  0.07731560  0.00000000  0.00000000
  0.24578600  0.00000000  0.00000000
  0.47018900  0.00000000  0.00000000
  0.34547080  0.00000000  0.00000000
  0.00000000 -0.03509170  0.00000000
  0.00000000 -0.19123280  0.00000000
  0.00000000  1.08398780  0.00000000
  0.00000000  0.00000000  1.00000000
    3
   -2.471598   -0.024470    0.042460
   -0.024470   -0.030664   -0.049338
    0.042460   -0.049338   -0.082114
* P-type functions
    4    2
       2.32491840
       0.63243060
       0.07905340
       0.03596200
  0.00894150  0.00000000
  0.14100950  0.00000000
  0.94536370  0.00000000
  0.00000000  1.00000000
    0
* D-type functions
    1    1
       0.20000000
  1.00000000
    0
/Be.6-31G*..10s4p1d.3s2p1d.
P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
BERYLLIUM    (10s,4p,1d) -> [3s,2p,1d]
Options
FockOperator
EndOptions
          4.   2
* S-type functions
   10    3
    1264.58570000
     189.93681000
      43.15908900
      12.09866300
       3.80632320
       1.27289030
       3.19646310
       0.74781330
       0.21996630
       0.08230990
  0.00194480  0.00000000  0.00000000
  0.01483510  0.00000000  0.00000000
  0.07209060  0.00000000  0.00000000
  0.23715420  0.00000000  0.00000000
  0.46919870  0.00000000  0.00000000
  0.35652020  0.00000000  0.00000000
  0.00000000 -0.11264870  0.00000000
  0.00000000 -0.22950640  0.00000000
  0.00000000  1.18691670  0.00000000
  0.00000000  0.00000000  1.00000000
    3
   -4.703077   -0.056490    0.076766
   -0.056490   -0.026347   -0.065761
    0.076766   -0.065761   -0.174483
* P-type functions
    4    2
       3.19646310
       0.74781330
       0.21996630
       0.08230990
  0.05598020  0.00000000
  0.26155060  0.00000000
  0.79397230  0.00000000
  0.00000000  1.00000000
    0
* D-type functions
    1    1
       0.40000000
  1.00000000
    0
/B.6-31G*..10s4p1d.3s2p1d.
P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
BORON        (10s,4p,1d) -> [3s,2p,1d]
Options
FockOperator
EndOptions
          5.   2
* S-type functions
   10    3
    2068.88230000
     310.64957000
      70.68303300
      19.86108000
       6.29930480
       2.12702700
       4.72797100
       1.19033770
       0.35941170
       0.12675120
  0.00186630  0.00000000  0.00000000
  0.01425150  0.00000000  0.00000000
  0.06955160  0.00000000  0.00000000
  0.23257290  0.00000000  0.00000000
  0.46707870  0.00000000  0.00000000
  0.36343140  0.00000000  0.00000000
  0.00000000 -0.13039380  0.00000000
  0.00000000 -0.13078890  0.00000000
  0.00000000  1.13094440  0.00000000
  0.00000000  0.00000000  1.00000000
    3
   -7.645391   -0.099366    0.118330
   -0.099366   -0.076109   -0.125783
    0.118330   -0.125783   -0.218503
* P-type functions
    4    2
       4.72797100
       1.19033770
       0.35941170
       0.12675120
  0.07459760  0.00000000
  0.30784670  0.00000000
  0.74345680  0.00000000
  0.00000000  1.00000000
    2
   -0.107412   -0.093604
   -0.093604   -0.081570
* D-type functions
    1    1
       0.60000000
  1.00000000
    0
/C.6-31G*..10s4p1d.3s2p1d.
P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
CARBON       (10s,4p,1d) -> [3s,2p,1d]
Options
FockOperator
EndOptions
          6.   2
* S-type functions
   10    3
    3047.52490000
     457.36951000
     103.94869000
      29.21015500
       9.28666300
       3.16392700
       7.86827240
       1.88128850
       0.54424930
       0.16871440
  0.00183470  0.00000000  0.00000000
  0.01403730  0.00000000  0.00000000
  0.06884260  0.00000000  0.00000000
  0.23218440  0.00000000  0.00000000
  0.46794130  0.00000000  0.00000000
  0.36231200  0.00000000  0.00000000
  0.00000000 -0.11933240  0.00000000
  0.00000000 -0.16085420  0.00000000
  0.00000000  1.14345640  0.00000000
  0.00000000  0.00000000  1.00000000
    3
  -11.271348   -0.146998    0.154321
   -0.146998   -0.154857   -0.195872
    0.154321   -0.195872   -0.258150
* P-type functions
    4    2
       7.86827240
       1.88128850
       0.54424930
       0.16871440
  0.06899910  0.00000000
  0.31642400  0.00000000
  0.74430830  0.00000000
  0.00000000  1.00000000
    2
   -0.184876   -0.131872
   -0.131872   -0.094064
* D-type functions
    1    1
       0.80000000
  1.00000000
    0
/N.6-31G*..10s4p1d.3s2p1d.
P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
NITROGEN     (10s,4p,1d) -> [3s,2p,1d]
Options
FockOperator
EndOptions
          7.   2
* S-type functions
   10    3
    4173.51100000
     627.45790000
     142.90210000
      40.23433000
      12.82021000
       4.39043700
      11.62635800
       2.71628000
       0.77221800
       0.21203130
  0.00183480  0.00000000  0.00000000
  0.01399500  0.00000000  0.00000000
  0.06858700  0.00000000  0.00000000
  0.23224100  0.00000000  0.00000000
  0.46907000  0.00000000  0.00000000
  0.36045500  0.00000000  0.00000000
  0.00000000 -0.11496100  0.00000000
  0.00000000 -0.16911800  0.00000000
  0.00000000  1.14585200  0.00000000
  0.00000000  0.00000000  1.00000000
    3
  -15.561176   -0.201471    0.192618
   -0.201471   -0.250662   -0.274404
    0.192618   -0.274404   -0.311481
* P-type functions
    4    2
      11.62635800
       2.71628000
       0.77221800
       0.21203130
  0.06758000  0.00000000
  0.32390700  0.00000000
  0.74089500  0.00000000
  0.00000000  1.00000000
    2
   -0.272540   -0.175320
   -0.175320   -0.112780
* D-type functions
    1    1
       0.80000000
  1.00000000
    0
/O.6-31G*..10s4p1d.3s2p1d.
P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
OXYGEN       (10s,4p,1d) -> [3s,2p,1d]
Options
FockOperator
EndOptions
          8.   2
* S-type functions
   10    3
    5484.67170000
     825.23495000
     188.04696000
      52.96450000
      16.89757000
       5.79963530
      15.53961600
       3.59993360
       1.01376180
       0.27000580
  0.00183110  0.00000000  0.00000000
  0.01395010  0.00000000  0.00000000
  0.06844510  0.00000000  0.00000000
  0.23271430  0.00000000  0.00000000
  0.47019300  0.00000000  0.00000000
  0.35852090  0.00000000  0.00000000
  0.00000000 -0.11077750  0.00000000
  0.00000000 -0.14802630  0.00000000
  0.00000000  1.13076700  0.00000000
  0.00000000  0.00000000  1.00000000
    3
  -20.570694   -0.253848    0.245581
   -0.253848   -0.384237   -0.366089
    0.245581   -0.366089   -0.360444
* P-type functions
    4    2
      15.53961600
       3.59993360
       1.01376180
       0.27000580
  0.07087430  0.00000000
  0.33975280  0.00000000
  0.72715860  0.00000000
  0.00000000  1.00000000
    2
   -0.305587   -0.197013
   -0.197013   -0.127015
* D-type functions
    1    1
       0.80000000
  1.00000000
    0
/F.6-31G*..10s4p1d.3s2p1d.
P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
FLUORINE     (10s,4p,1d) -> [3s,2p,1d]
Options
FockOperator
EndOptions
          9.   2
* S-type functions
   10    3
    7001.71309000
    1051.36609000
     239.28569000
      67.39744530
      21.51995730
       7.40310130
      20.84795280
       4.80830834
       1.34406986
       0.35815139
  0.00181962  0.00000000  0.00000000
  0.01391608  0.00000000  0.00000000
  0.06840532  0.00000000  0.00000000
  0.23318576  0.00000000  0.00000000
  0.47126744  0.00000000  0.00000000
  0.35661855  0.00000000  0.00000000
  0.00000000 -0.10850698  0.00000000
  0.00000000 -0.14645166  0.00000000
  0.00000000  1.12868858  0.00000000
  0.00000000  0.00000000  1.00000000
    3
  -26.230810   -0.333596    0.315874
   -0.333596   -0.467283   -0.462334
    0.315874   -0.462334   -0.473490
* P-type functions
    4    2
      20.84795280
       4.80830834
       1.34406986
       0.35815139
  0.07162872  0.00000000
  0.34591210  0.00000000
  0.72246996  0.00000000
  0.00000000  1.00000000
    2
   -0.338497   -0.227158
   -0.227158   -0.152441
* D-type functions
    1    1
       0.80000000
  1.00000000
    0
/Ne.6-31G*..10s4p1d.3s2p1d.
P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
NEON         (10s,4p,1d) -> [3s,2p,1d]
Options
FockOperator
EndOptions
         10.   2
* S-type functions
   10    3
    8425.85153000
    1268.51940000
     289.62141400
      81.85900400
      26.25150790
       9.09472051
      26.53213100
       6.10175501
       1.69627153
       0.44581870
  0.00188435  0.00000000  0.00000000
  0.01433690  0.00000000  0.00000000
  0.07010962  0.00000000  0.00000000
  0.23737327  0.00000000  0.00000000
  0.47300713  0.00000000  0.00000000
  0.34840124  0.00000000  0.00000000
  0.00000000 -0.10711829  0.00000000
  0.00000000 -0.14616382  0.00000000
  0.00000000  1.12777350  0.00000000
  0.00000000  0.00000000  1.00000000
    3
  -32.580204   -0.399698    0.379981
   -0.399698   -0.581925   -0.569304
    0.379981   -0.569304   -0.575358
* P-type functions
    4    2
      26.53213100
       6.10175501
       1.69627153
       0.44581870
  0.07190959  0.00000000
  0.34951337  0.00000000
  0.71994051  0.00000000
  0.00000000  1.00000000
    2
   -0.395810   -0.263388
   -0.263388   -0.175269
* D-type functions
    1    1
       0.80000000
  1.00000000
    0
/Na.6-31G*..16s10p1d.4s3p1d.
M.M. Francl, W.J. Petro, W.J. Hehre, J.S.Binkley, M.S. Gordon, D.J. DeFrees and J.A.
SODIUM       (16s,10p,1d) -> [4s,3p,1d]  | Pople, J. Chem. Phys. 77, 3654 (1982).
Options
FockOperator
EndOptions
         11.   2
* S-type functions
   16    4
    9993.20000000
    1499.89000000
     341.95100000
      94.67970000
      29.73450000
      10.00630000
     150.96300000
      35.58780000
      11.16830000
       3.90201000
       1.38177000
       0.46638200
       0.49796600
       0.08435300
       0.06663500
       0.02595440
  0.00193770  0.00000000  0.00000000  0.00000000
  0.01480700  0.00000000  0.00000000  0.00000000
  0.07270600  0.00000000  0.00000000  0.00000000
  0.25262900  0.00000000  0.00000000  0.00000000
  0.49324200  0.00000000  0.00000000  0.00000000
  0.31316900  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00354210  0.00000000  0.00000000
  0.00000000 -0.04395900  0.00000000  0.00000000
  0.00000000 -0.10975210  0.00000000  0.00000000
  0.00000000  0.18739800  0.00000000  0.00000000
  0.00000000  0.64669900  0.00000000  0.00000000
  0.00000000  0.30605800  0.00000000  0.00000000
  0.00000000  0.00000000 -0.24850300  0.00000000
  0.00000000  0.00000000 -0.13170400  0.00000000
  0.00000000  0.00000000  1.23352000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
  -40.494147    0.353692    0.054514   -0.027773
    0.353692   -2.973841    0.034840    0.008160
    0.054514    0.034840   -0.044276   -0.049984
   -0.027773    0.008160   -0.049984   -0.056973
* P-type functions
   10    3
     150.96300000
      35.58780000
      11.16830000
       3.90201000
       1.38177000
       0.46638200
       0.49796600
       0.08435300
       0.06663500
       0.02595440
  0.00500170  0.00000000  0.00000000
  0.03551100  0.00000000  0.00000000
  0.14282500  0.00000000  0.00000000
  0.33862000  0.00000000  0.00000000
  0.45157900  0.00000000  0.00000000
  0.27327100  0.00000000  0.00000000
  0.00000000 -0.02302300  0.00000000
  0.00000000  0.95035900  0.00000000
  0.00000000  0.05985800  0.00000000
  0.00000000  0.00000000  1.00000000
    3
   -1.519627   -0.015373    0.002233
   -0.015373   -0.000156    0.000023
    0.002233    0.000023   -0.000003
* D-type functions
    1    1
       0.17500000
  1.00000000
    0
/Mg.6-31G*..16s10p1d.4s3p1d.
M.M. Francl, W.J. Petro, W.J. Hehre, J.S.Binkley, M.S. Gordon, D.J. DeFrees and J.A.
MAGNESIUM    (16s,10p,1d) -> [4s,3p,1d]  | Pople, J. Chem. Phys. 77, 3654 (1982).
Options
FockOperator
EndOptions
         12.   2
* S-type functions
   16    4
   11722.80000000
    1759.93000000
     400.84600000
     112.80700000
      35.99970000
      12.18280000
     189.18000000
      45.21190000
      14.35630000
       5.13886000
       1.90652000
       0.70588700
       0.92934000
       0.26903500
       0.11737900
       0.04210610
  0.00197780  0.00000000  0.00000000  0.00000000
  0.01511400  0.00000000  0.00000000  0.00000000
  0.07391100  0.00000000  0.00000000  0.00000000
  0.24919100  0.00000000  0.00000000  0.00000000
  0.48792800  0.00000000  0.00000000  0.00000000
  0.31966200  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00323720  0.00000000  0.00000000
  0.00000000 -0.04100800  0.00000000  0.00000000
  0.00000000 -0.11260000  0.00000000  0.00000000
  0.00000000  0.14863300  0.00000000  0.00000000
  0.00000000  0.61649700  0.00000000  0.00000000
  0.00000000  0.36482900  0.00000000  0.00000000
  0.00000000  0.00000000 -0.21229000  0.00000000
  0.00000000  0.00000000 -0.10798500  0.00000000
  0.00000000  0.00000000  1.17584000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
  -49.029838    0.512003    0.107734   -0.060984
    0.512003   -4.005838    0.019159    0.036012
    0.107734    0.019159   -0.067095   -0.071623
   -0.060984    0.036012   -0.071623   -0.077137
* P-type functions
   10    3
     189.18000000
      45.21190000
      14.35630000
       5.13886000
       1.90652000
       0.70588700
       0.92934000
       0.26903500
       0.11737900
       0.04210610
  0.00492810  0.00000000  0.00000000
  0.03498900  0.00000000  0.00000000
  0.14072500  0.00000000  0.00000000
  0.33364200  0.00000000  0.00000000
  0.44494000  0.00000000  0.00000000
  0.26925400  0.00000000  0.00000000
  0.00000000 -0.02241900  0.00000000
  0.00000000  0.19227000  0.00000000
  0.00000000  0.84618100  0.00000000
  0.00000000  0.00000000  1.00000000
    3
   -2.256810   -0.051822    0.014562
   -0.051822   -0.001190    0.000334
    0.014562    0.000334   -0.000094
* D-type functions
    1    1
       0.17500000
  1.00000000
    0
/Al.6-31G*..16s10p1d.4s3p1d.
M.M. Francl, W.J. Petro, W.J. Hehre, J.S.Binkley, M.S. Gordon, D.J. DeFrees and J.A.
ALUMINUM   (16s,10p,1d) -> [4s,3p,1d]  | Pople, J. Chem. Phys. 77, 3654 (1982).
Options
FockOperator
EndOptions
         13.   2
* S-type functions
   16    4
   13983.10000000
    2098.75000000
     477.70500000
     134.36000000
      42.87090000
      14.51890000
     239.66800000
      57.44190000
      18.28590000
       6.59914000
       2.49049000
       0.94454000
       1.27790000
       0.39759000
       0.16009500
       0.05565770
  0.00194267  0.00000000  0.00000000  0.00000000
  0.01485990  0.00000000  0.00000000  0.00000000
  0.07284940  0.00000000  0.00000000  0.00000000
  0.24683000  0.00000000  0.00000000  0.00000000
  0.48725800  0.00000000  0.00000000  0.00000000
  0.32349600  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00292619  0.00000000  0.00000000
  0.00000000 -0.03740800  0.00000000  0.00000000
  0.00000000 -0.11448700  0.00000000  0.00000000
  0.00000000  0.11563500  0.00000000  0.00000000
  0.00000000  0.61259500  0.00000000  0.00000000
  0.00000000  0.39379900  0.00000000  0.00000000
  0.00000000  0.00000000 -0.22760600  0.00000000
  0.00000000  0.00000000  0.00144583  0.00000000
  0.00000000  0.00000000  1.09279000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
  -58.517808    0.727136    0.147917   -0.087533
    0.727136   -5.242036    0.039537    0.053811
    0.147917    0.039537   -0.171794   -0.107829
   -0.087533    0.053811   -0.107829   -0.068374
* P-type functions
   10    3
     239.66800000
      57.44190000
      18.28590000
       6.59914000
       2.49049000
       0.94454000
       1.27790000
       0.39759000
       0.16009500
       0.05565770
  0.00460285  0.00000000  0.00000000
  0.03319900  0.00000000  0.00000000
  0.13628200  0.00000000  0.00000000
  0.33047600  0.00000000  0.00000000
  0.44914600  0.00000000  0.00000000
  0.26570400  0.00000000  0.00000000
  0.00000000 -0.01751300  0.00000000
  0.00000000  0.24453300  0.00000000
  0.00000000  0.80493400  0.00000000
  0.00000000  0.00000000  1.00000000
    3
   -3.188736   -0.041396    0.039746
   -0.041396   -0.068785   -0.066242
    0.039746   -0.066242   -0.065796
* D-type functions
    1    1
       0.32500000
  1.00000000
    0
/Si.6-31G*..16s10p1d.4s3p1d.
M.M. Francl, W.J. Petro, W.J. Hehre, J.S.Binkley, M.S. Gordon, D.J. DeFrees and J.A.
SILICON   (16s,10p,1d) -> [4s,3p,1d]  | Pople, J. Chem. Phys. 77, 3654 (1982).
Options
FockOperator
EndOptions
         14.   2
* S-type functions
   16    4
   16115.90000000
    2425.58000000
     553.86700000
     156.34000000
      50.06830000
      17.01780000
     292.71800000
      69.87310000
      22.33630000
       8.15039000
       3.13458000
       1.22543000
       1.72738000
       0.57292200
       0.22219200
       0.07783690
  0.00195948  0.00000000  0.00000000  0.00000000
  0.01492880  0.00000000  0.00000000  0.00000000
  0.07284780  0.00000000  0.00000000  0.00000000
  0.24613000  0.00000000  0.00000000  0.00000000
  0.48591400  0.00000000  0.00000000  0.00000000
  0.32500200  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00278094  0.00000000  0.00000000
  0.00000000 -0.03571460  0.00000000  0.00000000
  0.00000000 -0.11498500  0.00000000  0.00000000
  0.00000000  0.09356340  0.00000000  0.00000000
  0.00000000  0.60301700  0.00000000  0.00000000
  0.00000000  0.41895900  0.00000000  0.00000000
  0.00000000  0.00000000 -0.24463000  0.00000000
  0.00000000  0.00000000  0.00431572  0.00000000
  0.00000000  0.00000000  1.09818000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
  -68.854597    0.976354    0.198668   -0.121239
    0.976354   -6.590834    0.037900    0.088533
    0.198668    0.037900   -0.247232   -0.147940
   -0.121239    0.088533   -0.147940   -0.089956
* P-type functions
   10    3
     292.71800000
      69.87310000
      22.33630000
       8.15039000
       3.13458000
       1.22543000
       1.72738000
       0.57292200
       0.22219200
       0.07783690
  0.00443826  0.00000000  0.00000000
  0.03266790  0.00000000  0.00000000
  0.13472100  0.00000000  0.00000000
  0.32867800  0.00000000  0.00000000
  0.44964000  0.00000000  0.00000000
  0.26137200  0.00000000  0.00000000
  0.00000000 -0.01779510  0.00000000
  0.00000000  0.25353900  0.00000000
  0.00000000  0.80066900  0.00000000
  0.00000000  0.00000000  1.00000000
    3
   -4.215138   -0.048548    0.056431
   -0.048548   -0.121270   -0.091569
    0.056431   -0.091569   -0.071207
* D-type functions
    1    1
       0.45000000
  1.00000000
    0
/P.6-31G*..16s10p1d.4s3p1d.
M.M. Francl, W.J. Petro, W.J. Hehre, J.S.Binkley, M.S. Gordon, D.J. DeFrees and J.A.
PHOSPHORUS   (16s,10p,1d) -> [4s,3p,1d]  | Pople, J. Chem. Phys. 77, 3654 (1982).
Options
FockOperator
EndOptions
         15.   2
* S-type functions
   16    4
   19413.30000000
    2909.42000000
     661.36400000
     185.75900000
      59.19430000
      20.03100000
     339.47800000
      81.01010000
      25.87800000
       9.45221000
       3.66566000
       1.46746000
       2.15623000
       0.74899700
       0.28314500
       0.09983170
  0.00185160  0.00000000  0.00000000  0.00000000
  0.01420620  0.00000000  0.00000000  0.00000000
  0.06999950  0.00000000  0.00000000  0.00000000
  0.24007900  0.00000000  0.00000000  0.00000000
  0.48476200  0.00000000  0.00000000  0.00000000
  0.33520000  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00278217  0.00000000  0.00000000
  0.00000000 -0.03604990  0.00000000  0.00000000
  0.00000000 -0.11663100  0.00000000  0.00000000
  0.00000000  0.09683280  0.00000000  0.00000000
  0.00000000  0.61441800  0.00000000  0.00000000
  0.00000000  0.40379800  0.00000000  0.00000000
  0.00000000  0.00000000 -0.25292300  0.00000000
  0.00000000  0.00000000  0.03285170  0.00000000
  0.00000000  0.00000000  1.08125000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
  -80.028485    1.215326    0.263303   -0.162122
    1.215326   -8.075530    0.065705    0.115244
    0.263303    0.065705   -0.346660   -0.188140
   -0.162122    0.115244   -0.188140   -0.103968
* P-type functions
   10    3
     339.47800000
      81.01010000
      25.87800000
       9.45221000
       3.66566000
       1.46746000
       2.15623000
       0.74899700
       0.28314500
       0.09983170
  0.00456462  0.00000000  0.00000000
  0.03369360  0.00000000  0.00000000
  0.13975500  0.00000000  0.00000000
  0.33936200  0.00000000  0.00000000
  0.45092100  0.00000000  0.00000000
  0.23858600  0.00000000  0.00000000
  0.00000000 -0.01776530  0.00000000
  0.00000000  0.27405800  0.00000000
  0.00000000  0.78542100  0.00000000
  0.00000000  0.00000000  1.00000000
    3
   -5.361872   -0.035077    0.066940
   -0.035077   -0.190541   -0.115874
    0.066940   -0.115874   -0.071922
* D-type functions
    1    1
       0.55000000
  1.00000000
    0
/S.6-31G*..16s10p1d.4s3p1d.
M.M. Francl, W.J. Petro, W.J. Hehre, J.S.Binkley, M.S. Gordon, D.J. DeFrees and J.A.
SULFUR    (16s,10p,1d) -> [4s,3p,1d]  | Pople, J. Chem. Phys. 77, 3654 (1982).
Options
FockOperator
EndOptions
         16.   2
* S-type functions
   16    4
   21917.10000000
    3301.49000000
     754.14600000
     212.71100000
      67.98960000
      23.05150000
     423.73500000
     100.71000000
      32.15990000
      11.80790000
       4.63110000
       1.87025000
       2.61584000
       0.92216700
       0.34128700
       0.11716700
  0.00186900  0.00000000  0.00000000  0.00000000
  0.01423000  0.00000000  0.00000000  0.00000000
  0.06969600  0.00000000  0.00000000  0.00000000
  0.23848700  0.00000000  0.00000000  0.00000000
  0.48330700  0.00000000  0.00000000  0.00000000
  0.33807400  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00237670  0.00000000  0.00000000
  0.00000000 -0.03169300  0.00000000  0.00000000
  0.00000000 -0.11331700  0.00000000  0.00000000
  0.00000000  0.05609000  0.00000000  0.00000000
  0.00000000  0.59225500  0.00000000  0.00000000
  0.00000000  0.45500600  0.00000000  0.00000000
  0.00000000  0.00000000 -0.25037400  0.00000000
  0.00000000  0.00000000  0.06695700  0.00000000
  0.00000000  0.00000000  1.05451000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
  -92.097690    1.515867    0.318205   -0.194300
    1.515867   -9.690805    0.062686    0.154800
    0.318205    0.062686   -0.508841   -0.223302
   -0.194300    0.154800   -0.223302   -0.100740
* P-type functions
   10    3
     423.73500000
     100.71000000
      32.15990000
      11.80790000
       4.63110000
       1.87025000
       2.61584000
       0.92216700
       0.34128700
       0.11716700
  0.00406100  0.00000000  0.00000000
  0.03068100  0.00000000  0.00000000
  0.13045200  0.00000000  0.00000000
  0.32720500  0.00000000  0.00000000
  0.45285100  0.00000000  0.00000000
  0.25604200  0.00000000  0.00000000
  0.00000000 -0.01451100  0.00000000
  0.00000000  0.31026300  0.00000000
  0.00000000  0.75448300  0.00000000
  0.00000000  0.00000000  1.00000000
    3
   -6.623061   -0.054908    0.081806
   -0.054908   -0.237988   -0.127098
    0.081806   -0.127098   -0.069745
* D-type functions
    1    1
       0.65000000
  1.00000000
    0
/Cl.6-31G*..16s10p1d.4s3p1d.
M.M. Francl, W.J. Petro, W.J. Hehre, J.S.Binkley, M.S. Gordon, D.J. DeFrees and J.A.
CHLORINE   (16s,10p,1d) -> [4s,3p,1d]  | Pople, J. Chem. Phys. 77, 3654 (1982).
Options
FockOperator
EndOptions
         17.   2
* S-type functions
   16    4
   25180.10000000
    3780.35000000
     860.47400000
     242.14500000
      77.33490000
      26.24700000
     491.76500000
     116.98400000
      37.41530000
      13.78340000
       5.45215000
       2.22588000
       3.18649000
       1.14427000
       0.42037700
       0.14265700
  0.00183300  0.00000000  0.00000000  0.00000000
  0.01403400  0.00000000  0.00000000  0.00000000
  0.06909700  0.00000000  0.00000000  0.00000000
  0.23745200  0.00000000  0.00000000  0.00000000
  0.48303400  0.00000000  0.00000000  0.00000000
  0.33985600  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00229740  0.00000000  0.00000000
  0.00000000 -0.03071400  0.00000000  0.00000000
  0.00000000 -0.11252800  0.00000000  0.00000000
  0.00000000  0.04501600  0.00000000  0.00000000
  0.00000000  0.58935300  0.00000000  0.00000000
  0.00000000  0.46520600  0.00000000  0.00000000
  0.00000000  0.00000000 -0.25183000  0.00000000
  0.00000000  0.00000000  0.06158900  0.00000000
  0.00000000  0.00000000  1.06018000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
 -105.023858    1.854788    0.378969   -0.232197
    1.854788  -11.445743    0.080044    0.194000
    0.378969    0.080044   -0.637087   -0.272181
   -0.232197    0.194000   -0.272181   -0.119809
* P-type functions
   10    3
     491.76500000
     116.98400000
      37.41530000
      13.78340000
       5.45215000
       2.22588000
       3.18649000
       1.14427000
       0.42037700
       0.14265700
  0.00398940  0.00000000  0.00000000
  0.03031800  0.00000000  0.00000000
  0.12988000  0.00000000  0.00000000
  0.32795100  0.00000000  0.00000000
  0.45352700  0.00000000  0.00000000
  0.25215400  0.00000000  0.00000000
  0.00000000 -0.01429900  0.00000000
  0.00000000  0.32357200  0.00000000
  0.00000000  0.74350700  0.00000000
  0.00000000  0.00000000  1.00000000
    3
   -8.003772   -0.057489    0.094091
   -0.057489   -0.285747   -0.146541
    0.094091   -0.146541   -0.077062
* D-type functions
    1    1
       0.75000000
  1.00000000
    0
/Ar.6-31G*..16s10p1d.4s3p1d.
M.M. Francl, W.J. Petro, W.J. Hehre, J.S.Binkley, M.S. Gordon, D.J. DeFrees and J.A.
ARGON   (16s,10p,1d) -> [4s,3p,1d]  | Pople, J. Chem. Phys. 77, 3654 (1982).
Options
FockOperator
EndOptions
         18.   2
* S-type functions
   16    4
   28348.30000000
    4257.62000000
     969.85700000
     273.26300000
      87.36950000
      29.68670000
     575.89100000
     136.81600000
      43.80980000
      16.20940000
       6.46084000
       2.65114000
       3.86028000
       1.41373000
       0.51664600
       0.17388800
  0.00182526  0.00000000  0.00000000  0.00000000
  0.01396860  0.00000000  0.00000000  0.00000000
  0.06870730  0.00000000  0.00000000  0.00000000
  0.23620400  0.00000000  0.00000000  0.00000000
  0.48221400  0.00000000  0.00000000  0.00000000
  0.34204300  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00215972  0.00000000  0.00000000
  0.00000000 -0.02907750  0.00000000  0.00000000
  0.00000000 -0.11082700  0.00000000  0.00000000
  0.00000000  0.02769990  0.00000000  0.00000000
  0.00000000  0.57761300  0.00000000  0.00000000
  0.00000000  0.48868800  0.00000000  0.00000000
  0.00000000  0.00000000 -0.25559200  0.00000000
  0.00000000  0.00000000  0.03780660  0.00000000
  0.00000000  0.00000000  1.08056000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
 -118.796971    2.217074    0.452778   -0.277547
    2.217074  -13.315567    0.070383    0.247173
    0.452778    0.070383   -0.740950   -0.332278
   -0.277547    0.247173   -0.332278   -0.154171
* P-type functions
   10    3
     575.89100000
     136.81600000
      43.80980000
      16.20940000
       6.46084000
       2.65114000
       3.86028000
       1.41373000
       0.51664600
       0.17388800
  0.00380665  0.00000000  0.00000000
  0.02923050  0.00000000  0.00000000
  0.12646700  0.00000000  0.00000000
  0.32351000  0.00000000  0.00000000
  0.45489600  0.00000000  0.00000000
  0.25663000  0.00000000  0.00000000
  0.00000000 -0.01591970  0.00000000
  0.00000000  0.32464600  0.00000000
  0.00000000  0.74399000  0.00000000
  0.00000000  0.00000000  1.00000000
    3
   -9.488313   -0.068360    0.110883
   -0.068360   -0.337971   -0.171132
    0.110883   -0.171132   -0.088888
* D-type functions
    1    1
       0.85000000
  1.00000000
    0
/K.6-31G*..14s9p4d.5s3p2d.
J-P. Blaudea, M. P. McGrath, L.A. Curtiss and L. Radom, J. Chem. Phys. 107, 5016 (1997).
POTASSIUM    (14s,9p,4d) -> [5s,3p,2d]
Options
FockOperator
EndOptions
         19.   2
* S-type functions
   14    5
   31478.70000000
    4726.89000000
    1075.43000000
     303.39800000
      98.32710000
      33.63620000
      65.63920000
       7.31626000
       2.89026000
       4.54597000
       0.70404100
       0.28266900
       0.02905820
       0.01211160
  0.00398387  0.00000000  0.00000000  0.00000000  0.00000000
  0.03050180  0.00000000  0.00000000  0.00000000  0.00000000
  0.15073800  0.00000000  0.00000000  0.00000000  0.00000000
  0.51912900  0.00000000  0.00000000  0.00000000  0.00000000
  1.03670000  0.00000000  0.00000000  0.00000000  0.00000000
  0.76399000  0.00000000  0.00000000  0.00000000  0.00000000
  0.00000000 -0.28242600  0.00000000  0.00000000  0.00000000
  0.00000000  1.69149000  0.00000000  0.00000000  0.00000000
  0.00000000  1.29653000  0.00000000  0.00000000  0.00000000
  0.00000000  0.00000000 -0.00763436  0.00000000  0.00000000
  0.00000000  0.00000000  0.02563570  0.00000000  0.00000000
  0.00000000  0.00000000  0.01660690  0.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
    5
 -133.992539    3.108412    0.191607   -0.144058    0.087366
    3.108412  -16.030375    0.566911    0.031762   -0.024529
    0.191607    0.566911   -2.007826    0.037593    0.014546
   -0.144058    0.031762    0.037593   -0.115056   -0.024300
    0.087366   -0.024529    0.014546   -0.024300   -0.005303
* P-type functions
    9    3
     361.22500000
      84.67020000
      26.46910000
       9.26581000
       3.34234000
       1.63546000
       0.83196800
       0.43684200
       0.23123300
  0.02090650  0.00000000  0.00000000
  0.15043600  0.00000000  0.00000000
  0.55440100  0.00000000  0.00000000
  1.04090000  0.00000000  0.00000000
  0.67825300  0.00000000  0.00000000
  0.00000000  0.24090200  0.00000000
  0.00000000  0.29942400  0.00000000
  0.00000000  0.44607900  0.00000000
  0.00000000  0.00000000  1.00000000
    3
  -11.504806    0.072382    0.113206
    0.072382   -0.755421   -0.172764
    0.113206   -0.172764   -0.040323
* D-type functions
    4    2
      10.07000000
       2.55800000
       0.79680000
       0.23500000
  0.04807900  0.00000000
  0.21629300  0.00000000
  0.42369100  0.00000000
  0.00000000  1.00000000
    0
/Ca.6-31G*..14s9p4d.5s3p2d.
J-P. Blaudea, M. P. McGrath, L.A. Curtiss and L. Radom, J. Chem. Phys. 107, 5016 (1997).
CALCIUM    (14s,9p,4d) -> [5s,3p,2d]
Options
FockOperator
EndOptions
         20.   2
* S-type functions
   14    5
   35138.70000000
    5276.41000000
    1200.47000000
     338.71800000
     109.85400000
      37.60890000
      73.10800000
       8.24077000
       3.29598000
       5.23418000
       0.84187200
       0.36510300
       0.05122240
       0.01982500
  0.00394825  0.00000000  0.00000000  0.00000000  0.00000000
  0.03023420  0.00000000  0.00000000  0.00000000  0.00000000
  0.14952000  0.00000000  0.00000000  0.00000000  0.00000000
  0.51597300  0.00000000  0.00000000  0.00000000  0.00000000
  1.03395000  0.00000000  0.00000000  0.00000000  0.00000000
  0.76937900  0.00000000  0.00000000  0.00000000  0.00000000
  0.00000000 -0.28268500  0.00000000  0.00000000  0.00000000
  0.00000000  1.67961000  0.00000000  0.00000000  0.00000000
  0.00000000  1.28038000  0.00000000  0.00000000  0.00000000
  0.00000000  0.00000000 -0.00768686  0.00000000  0.00000000
  0.00000000  0.00000000  0.02538240  0.00000000  0.00000000
  0.00000000  0.00000000  0.01651220  0.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
    5
 -149.857798    3.685207    0.226763   -0.202255    0.114011
    3.685207  -18.654694    0.790762    0.048956   -0.035619
    0.226763    0.790762   -2.619176    0.052019    0.032765
   -0.202255    0.048956    0.052019   -0.150044   -0.042383
    0.114011   -0.035619    0.032765   -0.042383   -0.012381
* P-type functions
    9    3
     413.11300000
      96.93580000
      30.37220000
      10.68480000
       3.88213000
       1.90991000
       0.97932500
       0.54976900
       0.17983700
  0.02032700  0.00000000  0.00000000
  0.14730300  0.00000000  0.00000000
  0.54887200  0.00000000  0.00000000
  1.04407000  0.00000000  0.00000000
  0.68653500  0.00000000  0.00000000
  0.00000000  0.26866800  0.00000000
  0.00000000  0.29018700  0.00000000
  0.00000000  0.44298100  0.00000000
  0.00000000  0.00000000  1.00000000
    3
  -13.606784    0.220204    0.122498
    0.220204   -1.226938   -0.215727
    0.122498   -0.215727   -0.038448
* D-type functions
    4    2
      10.97000000
       2.76800000
       0.82810000
       0.21600000
  0.06000800  0.00000000
  0.26101000  0.00000000
  0.50869200  0.00000000
  0.00000000  1.00000000
    0
/Sc.6-31G*..22s16p4d1f.5s4p2d1f.
V. Rassolov, J.A. Pople, M. Ratner and T.L. Windus, J. Chem. Phys. 109, 1223 (1998).
SCANDIUM     (22s,16p,4d,1f) -> [5s,4p,2d,1f]
Options
FockOperator
EndOptions
         21.   3
* S-type functions
   22    5
       39088.98000000
        5869.79200000
        1336.91000000
         376.60310000
         120.46790000
          40.98032000
         786.28520000
         186.88700000
          60.00935000
          22.25883000
           8.88514900
           3.60921100
          29.84355000
           9.54238300
           4.05679000
           1.70470300
           0.70623400
           0.27953600
           1.06560900
           0.42593300
           0.07632000
           0.02959400
  0.00180326  0.00000000  0.00000000  0.00000000  0.00000000
  0.01380769  0.00000000  0.00000000  0.00000000  0.00000000
  0.06800396  0.00000000  0.00000000  0.00000000  0.00000000
  0.23470990  0.00000000  0.00000000  0.00000000  0.00000000
  0.48156900  0.00000000  0.00000000  0.00000000  0.00000000
  0.34456520  0.00000000  0.00000000  0.00000000  0.00000000
  0.00000000  0.00245186  0.00000000  0.00000000  0.00000000
  0.00000000  0.03259579  0.00000000  0.00000000  0.00000000
  0.00000000  0.12382420  0.00000000  0.00000000  0.00000000
  0.00000000 -0.04359890  0.00000000  0.00000000  0.00000000
  0.00000000 -0.61771810  0.00000000  0.00000000  0.00000000
  0.00000000 -0.44328230  0.00000000  0.00000000  0.00000000
  0.00000000  0.00000000 -0.00258630  0.00000000  0.00000000
  0.00000000  0.00000000  0.07188424  0.00000000  0.00000000
  0.00000000  0.00000000  0.25032600  0.00000000  0.00000000
  0.00000000  0.00000000 -0.29910030  0.00000000  0.00000000
  0.00000000  0.00000000 -0.74468180  0.00000000  0.00000000
  0.00000000  0.00000000 -0.17997760  0.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.06482978  0.00000000
  0.00000000  0.00000000  0.00000000  0.32537560  0.00000000
  0.00000000  0.00000000  0.00000000 -1.17080600  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
    5
 -166.381292   -3.776686   -0.168410    0.174892    0.094007
   -3.776686  -20.902636    0.936913    0.023439    0.030278
   -0.168410    0.936913   -2.985827    0.054532   -0.024841
    0.174892    0.023439    0.054532   -0.064416    0.060193
    0.094007    0.030278   -0.024841    0.060193   -0.057025
* P-type functions
   16    4
         786.28520000
         186.88700000
          60.00935000
          22.25883000
           8.88514900
           3.60921100
          29.84355000
           9.54238300
           4.05679000
           1.70470300
           0.70623400
           0.27953600
           1.06560900
           0.42593300
           0.07632000
           0.02959400
  0.00403953  0.00000000  0.00000000  0.00000000
  0.03122570  0.00000000  0.00000000  0.00000000
  0.13498330  0.00000000  0.00000000  0.00000000
  0.34247930  0.00000000  0.00000000  0.00000000
  0.46231130  0.00000000  0.00000000  0.00000000
  0.21775240  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00609665  0.00000000  0.00000000
  0.00000000 -0.02628884  0.00000000  0.00000000
  0.00000000  0.05091001  0.00000000  0.00000000
  0.00000000  0.37980970  0.00000000  0.00000000
  0.00000000  0.51708830  0.00000000  0.00000000
  0.00000000  0.18297720  0.00000000  0.00000000
  0.00000000  0.00000000 -0.29384400  0.00000000
  0.00000000  0.00000000  0.09235323  0.00000000
  0.00000000  0.00000000  0.98479300  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
  -15.761750    0.435712    0.032132   -0.015390
    0.435712   -1.747624   -0.001235   -0.003461
    0.032132   -0.001235   -0.000066    0.000031
   -0.015390   -0.003461    0.000031   -0.000024
* D-type functions
    4    2
          11.14701000
           2.82104300
           0.81962000
           0.22146800
  0.08747672  0.00000000
  0.37956350  0.00000000
  0.71803930  0.00000000
  0.00000000  1.00000000
    2
   -0.176903   -0.116317
   -0.116317   -0.076481
* F-type functions
    1    1
           0.80000000
  1.00000000
    0
/Ti.6-31G*..22s16p4d1f.5s4p2d1f.
V. Rassolov, J.A. Pople, M. Ratner and T.L. Windus, J. Chem. Phys. 109, 1223 (1998).
TITANIUM     (22s,16p,4d,1f) -> [5s,4p,2d,1f]
Options
FockOperator
EndOptions
         22.   3
* S-type functions
   22    5
       43152.95000000
        6479.57100000
        1475.67500000
         415.69910000
         133.00060000
          45.27222000
         874.68260000
         207.97850000
          66.87918000
          24.87347000
           9.96844100
           4.06382600
          33.64363000
          10.87565000
           4.62822500
           1.95012600
           0.80945200
           0.32047400
           1.22414800
           0.48426300
           0.08409600
           0.03203600
  0.00179187  0.00000000  0.00000000  0.00000000  0.00000000
  0.01372392  0.00000000  0.00000000  0.00000000  0.00000000
  0.06762830  0.00000000  0.00000000  0.00000000  0.00000000
  0.23376420  0.00000000  0.00000000  0.00000000  0.00000000
  0.48106960  0.00000000  0.00000000  0.00000000  0.00000000
  0.34622800  0.00000000  0.00000000  0.00000000  0.00000000
  0.00000000  0.00243101  0.00000000  0.00000000  0.00000000
  0.00000000  0.03233027  0.00000000  0.00000000  0.00000000
  0.00000000  0.12425200  0.00000000  0.00000000  0.00000000
  0.00000000 -0.03903905  0.00000000  0.00000000  0.00000000
  0.00000000 -0.61717890  0.00000000  0.00000000  0.00000000
  0.00000000 -0.44730970  0.00000000  0.00000000  0.00000000
  0.00000000  0.00000000 -0.00294036  0.00000000  0.00000000
  0.00000000  0.00000000  0.07163103  0.00000000  0.00000000
  0.00000000  0.00000000  0.25289150  0.00000000  0.00000000
  0.00000000  0.00000000 -0.29664010  0.00000000  0.00000000
  0.00000000  0.00000000 -0.74322150  0.00000000  0.00000000
  0.00000000  0.00000000 -0.18535200  0.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.06351465  0.00000000
  0.00000000  0.00000000  0.00000000  0.31514040  0.00000000
  0.00000000  0.00000000  0.00000000 -1.16259500  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
    5
 -183.843831   -4.308989   -0.186423    0.191101    0.101451
   -4.308989  -23.504847    1.060848    0.028181    0.033229
   -0.186423    1.060848   -3.354578    0.057038   -0.025129
    0.191101    0.028181    0.057038   -0.066113    0.063160
    0.101451    0.033229   -0.025129    0.063160   -0.061212
* P-type functions
   16    4
         874.68260000
         207.97850000
          66.87918000
          24.87347000
           9.96844100
           4.06382600
          33.64363000
          10.87565000
           4.62822500
           1.95012600
           0.80945200
           0.32047400
           1.22414800
           0.48426300
           0.08409600
           0.03203600
  0.00401768  0.00000000  0.00000000  0.00000000
  0.03113966  0.00000000  0.00000000  0.00000000
  0.13490770  0.00000000  0.00000000  0.00000000
  0.34316720  0.00000000  0.00000000  0.00000000
  0.46257600  0.00000000  0.00000000  0.00000000
  0.21546030  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00631162  0.00000000  0.00000000
  0.00000000 -0.02697638  0.00000000  0.00000000
  0.00000000  0.05316847  0.00000000  0.00000000
  0.00000000  0.38455490  0.00000000  0.00000000
  0.00000000  0.51276620  0.00000000  0.00000000
  0.00000000  0.18111350  0.00000000  0.00000000
  0.00000000  0.00000000 -0.21120700  0.00000000
  0.00000000  0.00000000  0.07771998  0.00000000
  0.00000000  0.00000000  0.98982140  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
  -17.908631    0.509316    0.032890   -0.015421
    0.509316   -2.002548   -0.001328   -0.003581
    0.032890   -0.001328   -0.000060    0.000028
   -0.015421   -0.003581    0.000028   -0.000021
* D-type functions
    4    2
          13.69085000
           3.51315400
           1.04043400
           0.28696200
  0.08589418  0.00000000
  0.37846710  0.00000000
  0.71612390  0.00000000
  0.00000000  1.00000000
    2
   -0.220640   -0.141419
   -0.141419   -0.090642
* F-type functions
    1    1
           0.80000000
  1.00000000
    0
/V.6-31G*..22s16p4d1f.5s4p2d1f.
V. Rassolov, J.A. Pople, M. Ratner and T.L. Windus, J. Chem. Phys. 109, 1223 (1998).
VANADIUM     (22s,16p,4d,1f) -> [5s,4p,2d,1f]
Options
FockOperator
EndOptions
         23.   3
* S-type functions
   22    5
       47354.33000000
        7110.78700000
        1619.59100000
         456.33790000
         146.06060000
          49.75791000
         968.14840000
         230.28210000
          74.14591000
          27.64107000
          11.11475000
           4.54311300
          37.64050000
          12.28238000
           5.23336600
           2.20895000
           0.91788000
           0.36341200
           1.39278100
           0.54391300
           0.09147600
           0.03431200
  0.00178451  0.00000000  0.00000000  0.00000000  0.00000000
  0.01366754  0.00000000  0.00000000  0.00000000  0.00000000
  0.06736122  0.00000000  0.00000000  0.00000000  0.00000000
  0.23305520  0.00000000  0.00000000  0.00000000  0.00000000
  0.48063160  0.00000000  0.00000000  0.00000000  0.00000000
  0.34748020  0.00000000  0.00000000  0.00000000  0.00000000
  0.00000000  0.00241060  0.00000000  0.00000000  0.00000000
  0.00000000  0.03207243  0.00000000  0.00000000  0.00000000
  0.00000000  0.12459420  0.00000000  0.00000000  0.00000000
  0.00000000 -0.03482177  0.00000000  0.00000000  0.00000000
  0.00000000 -0.61673740  0.00000000  0.00000000  0.00000000
  0.00000000 -0.45098440  0.00000000  0.00000000  0.00000000
  0.00000000  0.00000000 -0.00323320  0.00000000  0.00000000
  0.00000000  0.00000000  0.07130744  0.00000000  0.00000000
  0.00000000  0.00000000  0.25438200  0.00000000  0.00000000
  0.00000000  0.00000000 -0.29338870  0.00000000  0.00000000
  0.00000000  0.00000000 -0.74156950  0.00000000  0.00000000
  0.00000000  0.00000000 -0.19094100  0.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.06139703  0.00000000
  0.00000000  0.00000000  0.00000000  0.30611300  0.00000000
  0.00000000  0.00000000  0.00000000 -1.15489000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
    5
 -202.163132   -4.870771   -0.205574    0.206520    0.108295
   -4.870771  -26.219208    1.181913    0.034046    0.036480
   -0.205574    1.181913   -3.722244    0.057346   -0.026074
    0.206520    0.034046    0.057346   -0.066950    0.065726
    0.108295    0.036480   -0.026074    0.065726   -0.065457
* P-type functions
   16    4
         968.14840000
         230.28210000
          74.14591000
          27.64107000
          11.11475000
           4.54311300
          37.64050000
          12.28238000
           5.23336600
           2.20895000
           0.91788000
           0.36341200
           1.39278100
           0.54391300
           0.09147600
           0.03431200
  0.00399500  0.00000000  0.00000000  0.00000000
  0.03104061  0.00000000  0.00000000  0.00000000
  0.13477470  0.00000000  0.00000000  0.00000000
  0.34372790  0.00000000  0.00000000  0.00000000
  0.46287590  0.00000000  0.00000000  0.00000000
  0.21355470  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00649406  0.00000000  0.00000000
  0.00000000 -0.02753453  0.00000000  0.00000000
  0.00000000  0.05516284  0.00000000  0.00000000
  0.00000000  0.38796720  0.00000000  0.00000000
  0.00000000  0.50902580  0.00000000  0.00000000
  0.00000000  0.18038400  0.00000000  0.00000000
  0.00000000  0.00000000 -0.18912650  0.00000000
  0.00000000  0.00000000  0.08005453  0.00000000
  0.00000000  0.00000000  0.98773990  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
  -20.155329    0.582765    0.034913   -0.016224
    0.582765   -2.257251   -0.002778   -0.003064
    0.034913   -0.002778   -0.000062    0.000025
   -0.016224   -0.003064    0.000025   -0.000019
* D-type functions
    4    2
          16.05025000
           4.16006300
           1.24326500
           0.34427700
  0.08599899  0.00000000
  0.38029960  0.00000000
  0.71276590  0.00000000
  0.00000000  1.00000000
    2
   -0.265082   -0.164624
   -0.164624   -0.102236
* F-type functions
    1    1
           0.80000000
  1.00000000
    0
/Cr.6-31G*..22s16p4d1f.5s4p2d1f.
V. Rassolov, J.A. Pople, M. Ratner and T.L. Windus, J. Chem. Phys. 109, 1223 (1998).
CHROMIUM     (22s,16p,4d,1f) -> [5s,4p,2d,1f]
Options
FockOperator
EndOptions
         24.   3
* S-type functions
   22    5
       51789.81000000
        7776.84900000
        1771.38500000
         499.15880000
         159.79820000
          54.47021000
        1064.32800000
         253.21380000
          81.60924000
          30.48193000
          12.29439000
           5.03772200
          41.56291000
          13.67627000
           5.84439000
           2.47160900
           1.02830800
           0.40725000
           1.57146400
           0.60558000
           0.09856100
           0.03645900
  0.00177618  0.00000000  0.00000000  0.00000000  0.00000000
  0.01360476  0.00000000  0.00000000  0.00000000  0.00000000
  0.06706925  0.00000000  0.00000000  0.00000000  0.00000000
  0.23231040  0.00000000  0.00000000  0.00000000  0.00000000
  0.48024100  0.00000000  0.00000000  0.00000000  0.00000000
  0.34876530  0.00000000  0.00000000  0.00000000  0.00000000
  0.00000000  0.00239967  0.00000000  0.00000000  0.00000000
  0.00000000  0.03194886  0.00000000  0.00000000  0.00000000
  0.00000000  0.12508680  0.00000000  0.00000000  0.00000000
  0.00000000 -0.03221866  0.00000000  0.00000000  0.00000000
  0.00000000 -0.61722840  0.00000000  0.00000000  0.00000000
  0.00000000 -0.45259360  0.00000000  0.00000000  0.00000000
  0.00000000  0.00000000 -0.00345422  0.00000000  0.00000000
  0.00000000  0.00000000  0.07218428  0.00000000  0.00000000
  0.00000000  0.00000000  0.25448200  0.00000000  0.00000000
  0.00000000  0.00000000 -0.29345340  0.00000000  0.00000000
  0.00000000  0.00000000 -0.73854550  0.00000000  0.00000000
  0.00000000  0.00000000 -0.19471570  0.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.05892219  0.00000000
  0.00000000  0.00000000  0.00000000  0.29760550  0.00000000
  0.00000000  0.00000000  0.00000000 -1.14750600  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
    5
 -221.349111   -5.461079   -0.225871    0.221616    0.114869
   -5.461079  -29.063604    1.307595    0.039143    0.039232
   -0.225871    1.307595   -4.098652    0.057811   -0.026712
    0.221616    0.039143    0.057811   -0.068414    0.068111
    0.114869    0.039232   -0.026712    0.068111   -0.068779
* P-type functions
   16    4
        1064.32800000
         253.21380000
          81.60924000
          30.48193000
          12.29439000
           5.03772200
          41.56291000
          13.67627000
           5.84439000
           2.47160900
           1.02830800
           0.40725000
           1.57146400
           0.60558000
           0.09856100
           0.03645900
  0.00398700  0.00000000  0.00000000  0.00000000
  0.03104662  0.00000000  0.00000000  0.00000000
  0.13505180  0.00000000  0.00000000  0.00000000
  0.34488650  0.00000000  0.00000000  0.00000000
  0.46285710  0.00000000  0.00000000  0.00000000
  0.21104260  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00672250  0.00000000  0.00000000
  0.00000000 -0.02806471  0.00000000  0.00000000
  0.00000000  0.05820028  0.00000000  0.00000000
  0.00000000  0.39169880  0.00000000  0.00000000
  0.00000000  0.50478230  0.00000000  0.00000000
  0.00000000  0.17902900  0.00000000  0.00000000
  0.00000000  0.00000000 -0.19301000  0.00000000
  0.00000000  0.00000000  0.09605620  0.00000000
  0.00000000  0.00000000  0.98176090  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
  -22.516478    0.659521    0.036945   -0.017107
    0.659521   -2.519273   -0.003942   -0.002681
    0.036945   -0.003942   -0.000064    0.000024
   -0.017107   -0.002681    0.000024   -0.000017
* D-type functions
    4    2
          18.41930000
           4.81266100
           1.44644700
           0.40041300
  0.08650816  0.00000000
  0.38266990  0.00000000
  0.70937720  0.00000000
  0.00000000  1.00000000
    2
   -0.297611   -0.181696
   -0.181696   -0.110928
* F-type functions
    1    1
           0.80000000
  1.00000000
    0
/Mn.6-31G*..22s16p4d1f.5s4p2d1f.
V. Rassolov, J.A. Pople, M. Ratner and T.L. Windus, J. Chem. Phys. 109, 1223 (1998).
MANGANESE    (22s,16p,4d,1f) -> [5s,4p,2d,1f]
Options
FockOperator
EndOptions
         25.   3
* S-type functions
   22    5
       56347.14000000
        8460.94300000
        1927.32500000
         543.23430000
         173.99050000
          59.36005000
        1165.41200000
         277.32760000
          89.47278000
          33.48256000
          13.54037000
           5.55797200
          45.83532000
          15.18777000
           6.50071000
           2.75158300
           1.14540400
           0.45368700
           1.75799900
           0.66702200
           0.10512900
           0.03841800
  0.00177158  0.00000000  0.00000000  0.00000000  0.00000000
  0.01357081  0.00000000  0.00000000  0.00000000  0.00000000
  0.06690605  0.00000000  0.00000000  0.00000000  0.00000000
  0.23185410  0.00000000  0.00000000  0.00000000  0.00000000
  0.47990460  0.00000000  0.00000000  0.00000000  0.00000000
  0.34957370  0.00000000  0.00000000  0.00000000  0.00000000
  0.00000000  0.00238875  0.00000000  0.00000000  0.00000000
  0.00000000  0.03181708  0.00000000  0.00000000  0.00000000
  0.00000000  0.12546700  0.00000000  0.00000000  0.00000000
  0.00000000 -0.02955431  0.00000000  0.00000000  0.00000000
  0.00000000 -0.61751600  0.00000000  0.00000000  0.00000000
  0.00000000 -0.45444580  0.00000000  0.00000000  0.00000000
  0.00000000  0.00000000 -0.00366586  0.00000000  0.00000000
  0.00000000  0.00000000  0.07231971  0.00000000  0.00000000
  0.00000000  0.00000000  0.25444860  0.00000000  0.00000000
  0.00000000  0.00000000 -0.29103800  0.00000000  0.00000000
  0.00000000  0.00000000 -0.73598600  0.00000000  0.00000000
  0.00000000  0.00000000 -0.19976170  0.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.05628572  0.00000000
  0.00000000  0.00000000  0.00000000  0.28974910  0.00000000
  0.00000000  0.00000000  0.00000000 -1.14065300  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
    5
 -241.397570   -6.084990   -0.246227    0.235255    0.120535
   -6.084990  -32.024855    1.430982    0.044673    0.041982
   -0.246227    1.430982   -4.476297    0.057427   -0.027402
    0.235255    0.044673    0.057427   -0.069421    0.070178
    0.120535    0.041982   -0.027402    0.070178   -0.071938
* P-type functions
   16    4
        1165.41200000
         277.32760000
          89.47278000
          33.48256000
          13.54037000
           5.55797200
          45.83532000
          15.18777000
           6.50071000
           2.75158300
           1.14540400
           0.45368700
           1.75799900
           0.66702200
           0.10512900
           0.03841800
  0.00397732  0.00000000  0.00000000  0.00000000
  0.03103112  0.00000000  0.00000000  0.00000000
  0.13518940  0.00000000  0.00000000  0.00000000
  0.34573870  0.00000000  0.00000000  0.00000000
  0.46292050  0.00000000  0.00000000  0.00000000
  0.20905920  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00688758  0.00000000  0.00000000
  0.00000000 -0.02846816  0.00000000  0.00000000
  0.00000000  0.06031832  0.00000000  0.00000000
  0.00000000  0.39389610  0.00000000  0.00000000
  0.00000000  0.50137690  0.00000000  0.00000000
  0.00000000  0.17922640  0.00000000  0.00000000
  0.00000000  0.00000000 -0.50350240  0.00000000
  0.00000000  0.00000000  0.23450110  0.00000000
  0.00000000  0.00000000  0.91412570  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
  -24.979330    0.743374    0.043459   -0.020071
    0.743374   -2.784713   -0.004571   -0.002915
    0.043459   -0.004571   -0.000079    0.000031
   -0.020071   -0.002915    0.000031   -0.000021
* D-type functions
    4    2
          20.94355000
           5.51048600
           1.66503800
           0.46173300
  0.08672702  0.00000000
  0.38418830  0.00000000
  0.70690710  0.00000000
  0.00000000  1.00000000
    2
   -0.335455   -0.201749
   -0.201749   -0.121336
* F-type functions
    1    1
           0.80000000
  1.00000000
    0
/Fe.6-31G*..22s16p4d1f.5s4p2d1f.
V. Rassolov, J.A. Pople, M. Ratner and T.L. Windus, J. Chem. Phys. 109, 1223 (1998).
IRON         (22s,16p,4d,1f) -> [5s,4p,2d,1f]
Options
FockOperator
EndOptions
         26.   3
* S-type functions
   22    5
       61132.62000000
        9179.34200000
        2090.85700000
         589.24790000
         188.75430000
          64.44629000
        1259.98000000
         299.87610000
          96.84917000
          36.31020000
          14.72996000
           6.06607500
          50.43485000
          16.83929000
           7.19208600
           3.05342000
           1.27364300
           0.50409100
           1.95031600
           0.73672100
           0.11417700
           0.04114800
  0.00176611  0.00000000  0.00000000  0.00000000  0.00000000
  0.01353038  0.00000000  0.00000000  0.00000000  0.00000000
  0.06673128  0.00000000  0.00000000  0.00000000  0.00000000
  0.23148230  0.00000000  0.00000000  0.00000000  0.00000000
  0.47970580  0.00000000  0.00000000  0.00000000  0.00000000
  0.35019760  0.00000000  0.00000000  0.00000000  0.00000000
  0.00000000  0.00243801  0.00000000  0.00000000  0.00000000
  0.00000000  0.03224048  0.00000000  0.00000000  0.00000000
  0.00000000  0.12657240  0.00000000  0.00000000  0.00000000
  0.00000000 -0.03139902  0.00000000  0.00000000  0.00000000
  0.00000000 -0.62075930  0.00000000  0.00000000  0.00000000
  0.00000000 -0.45029140  0.00000000  0.00000000  0.00000000
  0.00000000  0.00000000 -0.00387326  0.00000000  0.00000000
  0.00000000  0.00000000  0.07196598  0.00000000  0.00000000
  0.00000000  0.00000000  0.25565910  0.00000000  0.00000000
  0.00000000  0.00000000 -0.28828370  0.00000000  0.00000000
  0.00000000  0.00000000 -0.73428220  0.00000000  0.00000000
  0.00000000  0.00000000 -0.20493530  0.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.05694869  0.00000000
  0.00000000  0.00000000  0.00000000  0.28829150  0.00000000
  0.00000000  0.00000000  0.00000000 -1.13815900  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
    5
 -262.349021   -6.750323   -0.262931    0.251616    0.127695
   -6.750323  -35.166949    1.582222    0.047980    0.044215
   -0.262931    1.582222   -4.895800    0.059047   -0.027693
    0.251616    0.047980    0.059047   -0.069413    0.072672
    0.127695    0.044215   -0.027693    0.072672   -0.077176
* P-type functions
   16    4
        1259.98000000
         299.87610000
          96.84917000
          36.31020000
          14.72996000
           6.06607500
          50.43485000
          16.83929000
           7.19208600
           3.05342000
           1.27364300
           0.50409100
           1.95031600
           0.73672100
           0.11417700
           0.04114800
  0.00402802  0.00000000  0.00000000  0.00000000
  0.03144647  0.00000000  0.00000000  0.00000000
  0.13683170  0.00000000  0.00000000  0.00000000
  0.34872360  0.00000000  0.00000000  0.00000000
  0.46179310  0.00000000  0.00000000  0.00000000
  0.20430580  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00701713  0.00000000  0.00000000
  0.00000000 -0.02877660  0.00000000  0.00000000
  0.00000000  0.06181383  0.00000000  0.00000000
  0.00000000  0.39549460  0.00000000  0.00000000
  0.00000000  0.49890590  0.00000000  0.00000000
  0.00000000  0.17912510  0.00000000  0.00000000
  0.00000000  0.00000000 -0.45937960  0.00000000
  0.00000000  0.00000000  0.28521390  0.00000000
  0.00000000  0.00000000  0.90764850  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
  -27.601664    0.832874    0.044282   -0.020000
    0.832874   -3.082692   -0.004938   -0.003036
    0.044282   -0.004938   -0.000075    0.000028
   -0.020000   -0.003036    0.000028   -0.000019
* D-type functions
    4    2
          23.14994000
           6.12236800
           1.84660100
           0.50436100
  0.08876935  0.00000000
  0.38963190  0.00000000
  0.70148160  0.00000000
  0.00000000  1.00000000
    2
   -0.340398   -0.202889
   -0.202889   -0.120929
* F-type functions
    1    1
           0.80000000
  1.00000000
    0
/Co.6-31G*..22s16p4d1f.5s4p2d1f.
V. Rassolov, J.A. Pople, M. Ratner and T.L. Windus, J. Chem. Phys. 109, 1223 (1998).
COBALT       (22s,16p,4d,1f) -> [5s,4p,2d,1f]
Options
FockOperator
EndOptions
         27.   3
* S-type functions
   22    5
       66148.99000000
        9933.07700000
        2262.81600000
         637.91540000
         204.41220000
          69.82538000
        1378.84100000
         328.26940000
         106.09460000
          39.83275000
          16.18622000
           6.66778800
          54.52355000
          18.29783000
           7.86734800
           3.34053400
           1.39375600
           0.55132600
           2.15194700
           0.81106300
           0.12101700
           0.04303700
  0.00175979  0.00000000  0.00000000  0.00000000  0.00000000
  0.01348162  0.00000000  0.00000000  0.00000000  0.00000000
  0.06649342  0.00000000  0.00000000  0.00000000  0.00000000
  0.23079390  0.00000000  0.00000000  0.00000000  0.00000000
  0.47929190  0.00000000  0.00000000  0.00000000  0.00000000
  0.35140970  0.00000000  0.00000000  0.00000000  0.00000000
  0.00000000  0.00237628  0.00000000  0.00000000  0.00000000
  0.00000000  0.03167450  0.00000000  0.00000000  0.00000000
  0.00000000  0.12628880  0.00000000  0.00000000  0.00000000
  0.00000000 -0.02584552  0.00000000  0.00000000  0.00000000
  0.00000000 -0.61834910  0.00000000  0.00000000  0.00000000
  0.00000000 -0.45670080  0.00000000  0.00000000  0.00000000
  0.00000000  0.00000000 -0.00399300  0.00000000  0.00000000
  0.00000000  0.00000000  0.07409663  0.00000000  0.00000000
  0.00000000  0.00000000  0.25420000  0.00000000  0.00000000
  0.00000000  0.00000000 -0.29216570  0.00000000  0.00000000
  0.00000000  0.00000000 -0.73187030  0.00000000  0.00000000
  0.00000000  0.00000000 -0.20407840  0.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.05379843  0.00000000
  0.00000000  0.00000000  0.00000000  0.27599710  0.00000000
  0.00000000  0.00000000  0.00000000 -1.12969200  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
    5
 -283.775378   -7.308254   -0.329343    0.277848    0.138867
   -7.308254  -37.957402    1.546743    0.092771    0.059808
   -0.329343    1.546743   -4.926224   -0.030254   -0.068087
    0.277848    0.092771   -0.030254   -0.011402    0.038805
    0.138867    0.059808   -0.068087    0.038805   -0.145232
* P-type functions
   16    4
        1378.84100000
         328.26940000
         106.09460000
          39.83275000
          16.18622000
           6.66778800
          54.52355000
          18.29783000
           7.86734800
           3.34053400
           1.39375600
           0.55132600
           2.15194700
           0.81106300
           0.12101700
           0.04303700
  0.00397149  0.00000000  0.00000000  0.00000000
  0.03108174  0.00000000  0.00000000  0.00000000
  0.13574390  0.00000000  0.00000000  0.00000000
  0.34768270  0.00000000  0.00000000  0.00000000
  0.46263400  0.00000000  0.00000000  0.00000000
  0.20516320  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00729077  0.00000000  0.00000000
  0.00000000 -0.02926027  0.00000000  0.00000000
  0.00000000  0.06564150  0.00000000  0.00000000
  0.00000000  0.40006520  0.00000000  0.00000000
  0.00000000  0.49502360  0.00000000  0.00000000
  0.00000000  0.17582400  0.00000000  0.00000000
  0.00000000  0.00000000 -0.21654960  0.00000000
  0.00000000  0.00000000  0.12404880  0.00000000
  0.00000000  0.00000000  0.97240640  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
  -29.928054    0.788254    0.059955   -0.028272
    0.788254   -3.035589   -0.058521    0.024142
    0.059955   -0.058521   -0.001196    0.000499
   -0.028272    0.024142    0.000499   -0.000208
* D-type functions
    4    2
          25.59306000
           6.80099000
           2.05164700
           0.55567100
  0.09004748  0.00000000
  0.39317030  0.00000000
  0.69768440  0.00000000
  0.00000000  1.00000000
    2
   -0.157394   -0.110830
   -0.110830   -0.078042
* F-type functions
    1    1
           0.80000000
  1.00000000
    0
/Ni.6-31G*..22s16p4d1f.5s4p2d1f.
V. Rassolov, J.A. Pople, M. Ratner and T.L. Windus, J. Chem. Phys. 109, 1223 (1998).
NICKEL       (22s,16p,4d,1f) -> [5s,4p,2d,1f]
Options
FockOperator
EndOptions
         28.   3
* S-type functions
   22    5
       71396.35000000
       10720.84000000
        2442.12900000
         688.42650000
         220.61530000
          75.39373000
        1492.53200000
         355.40130000
         114.95340000
          43.22043000
          17.59710000
           7.25776500
          59.35261000
          20.02181000
           8.61456100
           3.66053100
           1.52811100
           0.60405700
           2.37927600
           0.88583900
           0.12852900
           0.04519500
  0.00175300  0.00000000  0.00000000  0.00000000  0.00000000
  0.01343122  0.00000000  0.00000000  0.00000000  0.00000000
  0.06627041  0.00000000  0.00000000  0.00000000  0.00000000
  0.23025080  0.00000000  0.00000000  0.00000000  0.00000000
  0.47901860  0.00000000  0.00000000  0.00000000  0.00000000
  0.35234440  0.00000000  0.00000000  0.00000000  0.00000000
  0.00000000  0.00237071  0.00000000  0.00000000  0.00000000
  0.00000000  0.03160566  0.00000000  0.00000000  0.00000000
  0.00000000  0.12663350  0.00000000  0.00000000  0.00000000
  0.00000000 -0.02417037  0.00000000  0.00000000  0.00000000
  0.00000000 -0.61877750  0.00000000  0.00000000  0.00000000
  0.00000000 -0.45767700  0.00000000  0.00000000  0.00000000
  0.00000000  0.00000000 -0.00416200  0.00000000  0.00000000
  0.00000000  0.00000000  0.07425111  0.00000000  0.00000000
  0.00000000  0.00000000  0.25413600  0.00000000  0.00000000
  0.00000000  0.00000000 -0.29034770  0.00000000  0.00000000
  0.00000000  0.00000000 -0.73021210  0.00000000  0.00000000
  0.00000000  0.00000000 -0.20760570  0.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.05157888  0.00000000
  0.00000000  0.00000000  0.00000000  0.27076110  0.00000000
  0.00000000  0.00000000  0.00000000 -1.12477000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
    5
 -306.427625   -8.015976   -0.355902    0.294638    0.146091
   -8.015976  -41.317272    1.679485    0.099584    0.062974
   -0.355902    1.679485   -5.335891   -0.032028   -0.068058
    0.294638    0.099584   -0.032028   -0.009477    0.036134
    0.146091    0.062974   -0.068058    0.036134   -0.153988
* P-type functions
   16    4
        1492.53200000
         355.40130000
         114.95340000
          43.22043000
          17.59710000
           7.25776500
          59.35261000
          20.02181000
           8.61456100
           3.66053100
           1.52811100
           0.60405700
           2.37927600
           0.88583900
           0.12852900
           0.04519500
  0.00396755  0.00000000  0.00000000  0.00000000
  0.03109479  0.00000000  0.00000000  0.00000000
  0.13595170  0.00000000  0.00000000  0.00000000
  0.34851360  0.00000000  0.00000000  0.00000000
  0.46254980  0.00000000  0.00000000  0.00000000
  0.20351860  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00742145  0.00000000  0.00000000
  0.00000000 -0.02953410  0.00000000  0.00000000
  0.00000000  0.06731852  0.00000000  0.00000000
  0.00000000  0.40166600  0.00000000  0.00000000
  0.00000000  0.49266230  0.00000000  0.00000000
  0.00000000  0.17568930  0.00000000  0.00000000
  0.00000000  0.00000000 -0.18876630  0.00000000
  0.00000000  0.00000000  0.10151990  0.00000000
  0.00000000  0.00000000  0.97909060  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
  -32.748876    0.871599    0.061006   -0.028629
    0.871599   -3.325135   -0.058982    0.024206
    0.061006   -0.058982   -0.001110    0.000461
   -0.028629    0.024206    0.000461   -0.000191
* D-type functions
    4    2
          28.19147000
           7.52358400
           2.27122800
           0.61160300
  0.09098881  0.00000000
  0.39582080  0.00000000
  0.69471540  0.00000000
  0.00000000  1.00000000
    2
   -0.165818   -0.114368
   -0.114368   -0.078881
* F-type functions
    1    1
           0.80000000
  1.00000000
    0
/Cu.6-31G*..22s16p4d1f.5s4p2d1f.
V. Rassolov, J.A. Pople, M. Ratner and T.L. Windus, J. Chem. Phys. 109, 1223 (1998).
COPPER       (22s,16p,4d,1f) -> [5s,4p,2d,1f]
Options
FockOperator
EndOptions
         29.   3
* S-type functions
   22    5
       76794.38000000
       11530.70000000
        2626.57500000
         740.49030000
         237.35280000
          81.15818000
        1610.81400000
         383.63670000
         124.17330000
          46.74678000
          19.06569000
           7.87156700
          64.45732000
          21.85212000
           9.40534300
           3.99916800
           1.67029700
           0.65962700
           2.60008800
           0.96309400
           0.13616100
           0.04733200
  0.00174816  0.00000000  0.00000000  0.00000000  0.00000000
  0.01339602  0.00000000  0.00000000  0.00000000  0.00000000
  0.06610885  0.00000000  0.00000000  0.00000000  0.00000000
  0.22982650  0.00000000  0.00000000  0.00000000  0.00000000
  0.47876750  0.00000000  0.00000000  0.00000000  0.00000000
  0.35307390  0.00000000  0.00000000  0.00000000  0.00000000
  0.00000000  0.00236405  0.00000000  0.00000000  0.00000000
  0.00000000  0.03153635  0.00000000  0.00000000  0.00000000
  0.00000000  0.12694520  0.00000000  0.00000000  0.00000000
  0.00000000 -0.02262840  0.00000000  0.00000000  0.00000000
  0.00000000 -0.61920800  0.00000000  0.00000000  0.00000000
  0.00000000 -0.45853930  0.00000000  0.00000000  0.00000000
  0.00000000  0.00000000 -0.00433108  0.00000000  0.00000000
  0.00000000  0.00000000  0.07412307  0.00000000  0.00000000
  0.00000000  0.00000000  0.25421080  0.00000000  0.00000000
  0.00000000  0.00000000 -0.28748430  0.00000000  0.00000000
  0.00000000  0.00000000 -0.72914360  0.00000000  0.00000000
  0.00000000  0.00000000 -0.21139510  0.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.05027577  0.00000000
  0.00000000  0.00000000  0.00000000  0.26500400  0.00000000
  0.00000000  0.00000000  0.00000000 -1.12015500  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
    5
 -329.942353   -8.755041   -0.383550    0.311824    0.153487
   -8.755041  -44.800863    1.813009    0.107572    0.066701
   -0.383550    1.813009   -5.753266   -0.036200   -0.068892
    0.311824    0.107572   -0.036200   -0.007936    0.033495
    0.153487    0.066701   -0.068892    0.033495   -0.162259
* P-type functions
   16    4
        1610.81400000
         383.63670000
         124.17330000
          46.74678000
          19.06569000
           7.87156700
          64.45732000
          21.85212000
           9.40534300
           3.99916800
           1.67029700
           0.65962700
           2.60008800
           0.96309400
           0.13616100
           0.04733200
  0.00396331  0.00000000  0.00000000  0.00000000
  0.03110223  0.00000000  0.00000000  0.00000000
  0.13613500  0.00000000  0.00000000  0.00000000
  0.34929140  0.00000000  0.00000000  0.00000000
  0.46247800  0.00000000  0.00000000  0.00000000
  0.20201020  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00752373  0.00000000  0.00000000
  0.00000000 -0.02975687  0.00000000  0.00000000
  0.00000000  0.06849654  0.00000000  0.00000000
  0.00000000  0.40271410  0.00000000  0.00000000
  0.00000000  0.49084900  0.00000000  0.00000000
  0.00000000  0.17592680  0.00000000  0.00000000
  0.00000000  0.00000000 -0.17029110  0.00000000
  0.00000000  0.00000000  0.09310133  0.00000000
  0.00000000  0.00000000  0.98143360  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
  -35.678968    0.955390    0.063294   -0.029566
    0.955390   -3.620735   -0.061484    0.025203
    0.063294   -0.061484   -0.001107    0.000458
   -0.029566    0.025203    0.000458   -0.000190
* D-type functions
    4    2
          30.85341000
           8.26498500
           2.49533200
           0.66765800
  0.09199905  0.00000000
  0.39850210  0.00000000
  0.69178970  0.00000000
  0.00000000  1.00000000
    2
   -0.179591   -0.121161
   -0.121161   -0.081742
* F-type functions
    1    1
           0.80000000
  1.00000000
    0
/Zn.6-31G*..22s16p4d1f.5s4p2d1f.
V. Rassolov, J.A. Pople, M. Ratner and T.L. Windus, J. Chem. Phys. 109, 1223 (1998).
ZINC         (22s,16p,4d,1f) -> [5s,4p,2d,1f]
Options
FockOperator
EndOptions
         30.   3
* S-type functions
   22    5
       82400.94000000
       12372.55000000
        2818.35100000
         794.57170000
         254.72320000
          87.13880000
        1732.56900000
         412.71490000
         133.67800000
          50.38585000
          20.58358000
           8.50594000
          69.36492000
          23.62082000
          10.18471000
           4.33408200
           1.81091800
           0.71484100
           2.82384200
           1.03954300
           0.14326400
           0.04929600
  0.00174333  0.00000000  0.00000000  0.00000000  0.00000000
  0.01335966  0.00000000  0.00000000  0.00000000  0.00000000
  0.06594365  0.00000000  0.00000000  0.00000000  0.00000000
  0.22941510  0.00000000  0.00000000  0.00000000  0.00000000
  0.47854530  0.00000000  0.00000000  0.00000000  0.00000000
  0.35377530  0.00000000  0.00000000  0.00000000  0.00000000
  0.00000000  0.00236146  0.00000000  0.00000000  0.00000000
  0.00000000  0.03150177  0.00000000  0.00000000  0.00000000
  0.00000000  0.12727740  0.00000000  0.00000000  0.00000000
  0.00000000 -0.02145928  0.00000000  0.00000000  0.00000000
  0.00000000 -0.61976520  0.00000000  0.00000000  0.00000000
  0.00000000 -0.45901800  0.00000000  0.00000000  0.00000000
  0.00000000  0.00000000 -0.00444010  0.00000000  0.00000000
  0.00000000  0.00000000  0.07505253  0.00000000  0.00000000
  0.00000000  0.00000000  0.25331110  0.00000000  0.00000000
  0.00000000  0.00000000 -0.28818970  0.00000000  0.00000000
  0.00000000  0.00000000 -0.72670520  0.00000000  0.00000000
  0.00000000  0.00000000 -0.21334390  0.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.04898543  0.00000000
  0.00000000  0.00000000  0.00000000  0.25927930  0.00000000
  0.00000000  0.00000000  0.00000000 -1.11571100  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
    5
 -354.767819   -9.672177   -0.364932    0.318524    0.156702
   -9.672177  -48.951691    2.144732    0.075047    0.057958
   -0.364932    2.144732   -6.634839    0.061014   -0.027966
    0.318524    0.075047    0.061014   -0.075958    0.080967
    0.156702    0.057958   -0.027966    0.080967   -0.087602
* P-type functions
   16    4
        1732.56900000
         412.71490000
         133.67800000
          50.38585000
          20.58358000
           8.50594000
          69.36492000
          23.62082000
          10.18471000
           4.33408200
           1.81091800
           0.71484100
           2.82384200
           1.03954300
           0.14326400
           0.04929600
  0.00396313  0.00000000  0.00000000  0.00000000
  0.03113411  0.00000000  0.00000000  0.00000000
  0.13639310  0.00000000  0.00000000  0.00000000
  0.35012660  0.00000000  0.00000000  0.00000000
  0.46231790  0.00000000  0.00000000  0.00000000
  0.20049950  0.00000000  0.00000000  0.00000000
  0.00000000 -0.00768926  0.00000000  0.00000000
  0.00000000 -0.02997982  0.00000000  0.00000000
  0.00000000  0.07082411  0.00000000  0.00000000
  0.00000000  0.40461410  0.00000000  0.00000000
  0.00000000  0.48823250  0.00000000  0.00000000
  0.00000000  0.17519700  0.00000000  0.00000000
  0.00000000  0.00000000 -0.15867630  0.00000000
  0.00000000  0.00000000  0.08379327  0.00000000
  0.00000000  0.00000000  0.98405470  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
    4
  -39.192586    1.190734    0.047429   -0.021537
    1.190734   -4.330947   -0.008179   -0.001354
    0.047429   -0.008179   -0.000068    0.000023
   -0.021537   -0.001354    0.000023   -0.000013
* D-type functions
    4    2
          33.70764000
           9.06110600
           2.73838300
           0.73029400
  0.09262648  0.00000000
  0.40029800  0.00000000
  0.68966080  0.00000000
  0.00000000  1.00000000
    2
   -0.408331   -0.236537
   -0.236537   -0.137021
* F-type functions
    1    1
           0.80000000
  1.00000000
    0
