************************************************************************
* 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 NRH
#Nucleus UNK
#Contraction ANO
#AllElectron AE_

/H.ANO-L.Widmark.8s4p3d.6s4p3d.
P.-O. Widmark, P.-A. Malmqvist, B.O. Roos. Theor. Chim. Acta 77 (1990) 291-306. doi: 10.1007/bf01120130
HYDROGEN (8s,4p,3d) -> [6s,4p,3d]
************************************************************************
* H Hydrogen atom                                                      *
* Basic primitive: Duijneveldt 7s                                      *
* Augmented: 1s with exponent 0.35x lowest exponent                    *
*            4p eventempered with scale factor 0.35, 3 optimized for   *
*               the average energy of SDCI H- and SCF H2 at 1.4 au     *
*               and the fourth added as an additional diffuse          *
*            3d eventempered with scale factor 0.40, 2 optimized for   *
*               the average energy of SDCI H- and SCF H2 at 1.4 au     *
*               and the third added as an additional diffuse           *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              H     0.000  SCF   1.000                                *
*              H2    0.000  SCF   1.000                                *
*              H-    0.000  SDCI  0.001                                *
*              H     0.100  SCF   0.001                                *
*                                                                      *
* Contraction range: 2s1p   - 3s2p1d for SCF                           *
*                    3s2p1d - 4s3p2d for correlated wavefunctions      *
************************************************************************
Options
OrbitalEnergies
EndOptions
     1.0   2
* s-type functions
    8    6
        188.61445000
         28.27659600
          6.42483000
          1.81504100
          0.59106300
          0.21214900
          0.07989100
          0.02796200
   0.00096385  -0.00131190   0.00242240  -0.01157010   0.01478099  -0.02128920
   0.00749196  -0.01034510   0.02033817  -0.08371540   0.09403187  -0.10955960
   0.03759541  -0.05049530   0.08963935  -0.44516630   0.53618016  -1.48182600
   0.14339498  -0.20738550   0.44229071  -1.14627100  -0.60896390   3.02729630
   0.34863630  -0.43508850   0.57571439   2.50318710  -1.11488900  -3.76308600
   0.43829736  -0.02472970  -0.98028900  -1.58284900   3.48208120   3.65741310
   0.16510661   0.32252599  -0.67215380   0.03096569  -3.76253900  -2.50123700
   0.02102287   0.70727538   1.14176850   0.30862864   1.67669320   0.89405394
    1
  -0.50000000
* p-type functions
    4    4
          2.30500000
          0.80675000
          0.28236200
          0.09882700
   0.11279019  -0.21086880   0.75995011  -1.44274200
   0.41850753  -0.59437960   0.16461590   2.34899140
   0.47000773   0.08968888  -1.37101400  -1.99115200
   0.18262603   0.86116340   1.05931550   0.90505601
    0
* d-type functions
    3    3
          1.81900000
          0.72760000
          0.29104000
   0.27051341  -0.79380350   1.30827700
   0.55101250  -0.09142520  -2.02105900
   0.33108664   0.86200334   1.24988880
    0

/He.ANO-L.Widmark.9s4p3d.7s4p3d.
P.-O. Widmark, P.-A. Malmqvist, B.O. Roos. Theor. Chim. Acta 77 (1990) 291-306. doi: 10.1007/bf01120130
HELIUM (9s,4p,3d) -> [7s,4p,3d]
************************************************************************
* He Helium atom                                                       *
* Basic primitive: Duijneveldt 8s                                      *
* Augmented: 1s with exponent 0.35x lowest exponent                    *
*            4p eventempered with scale factor 0.35, 3 optimized for   *
*               the SDCI energy of He and the fourth added as an       *
*               additional diffuse.                                    *
*            3d eventempered with scale factor 0.40, 2 optimized for   *
*               the SDCI energy of He and the third added as an        *
*               additional diffuse.                                    *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              He    0.000  SDCI  1.000                                *
*              He    0.100  SDCI  1.000                                *
*                                                                      *
* Contraction range: 2s1p   - 3s2p1d for SCF                           *
*                    3s2p1d - 4s3p2d for correlated wavefunctions      *
************************************************************************
Options
OrbitalEnergies
EndOptions
     2.0   2
* s-type functions
    9    7
       1149.27050000
        172.04457000
         39.08046500
         11.03617300
          3.56415200
          1.24044300
          0.44731600
          0.16420600
          0.05747200
   0.00035774  -0.00053060   0.00070544  -0.00047220   0.00093393  -0.00276670   0.01263588
   0.00277289  -0.00403300   0.00705199  -0.01047220   0.01348285   0.01229885  -0.08485710
   0.01429838  -0.02258040   0.03126037  -0.01940990   0.07393500  -0.28697600   1.91862370
   0.05586749  -0.10262550   0.32197965  -0.71273560   1.47061830  -0.68386000  -2.94923100
   0.16336284  -0.45771140   1.00474880  -0.01013290  -2.61295100   2.36590980   2.81227350
   0.33133146  -0.60596530  -1.29080400   1.93433390   1.94841330  -3.80339800  -2.27083500
   0.41429728   0.57131336  -0.47258960  -2.54165900  -0.14004310   4.52151150   1.65439870
   0.18903228   0.54758341   0.95308829   0.89814053  -1.39834800  -3.92222100  -1.00082900
   0.00515606   0.01165900   0.05061692   0.54395940   1.23235300   1.87394710   0.36960362
    1
  -0.91795000
* p-type functions
    4    4
          4.55000000
          1.59250000
          0.55737500
          0.19508100
   0.08926060  -0.18673500   0.85489228  -1.39375000
   0.38050238  -0.51173450   0.10926707   2.37796350
   0.44912372  -0.19815060  -1.26381200  -2.05793600
   0.27765440   0.99587976   0.90243325   0.91266539
    0
* d-type functions
    3    3
          3.40000000
          1.36000000
          0.54400000
   0.28055213  -0.95147160   1.19619490
   0.56558317   0.18505878  -2.01060200
   0.30332967   0.69874000   1.35449020
    0

/Li.ANO-L.Widmark.14s9p4d3f.7s6p4d3f.
P.-O. Widmark, P.-A. Malmqvist, B.O. Roos. Theor. Chim. Acta 77 (1990) 291-306. doi: 10.1007/bf01120130
LITHIUM (14s,9p,4d,3f) -> [7s,6p,4d,3f]
************************************************************************
* Li Lithium atom                                                      *
* Basic primitive: Duijneveldt 13s                                     *
* Augmented: 8p SCF optimized for the 2P state.                        *
*            1s with exponent 0.35x lowest exponent                    *
*            1p with exponent 0.35x lowest exponent                    *
*            4d eventempered with scale factor 0.35, 3 optimized for   *
*               the SDCI energy for Li2 at equilibrium and the         *
*               fourth added as an additional diffuse                  *
*            3f eventempered with scale factor 0.40, 2 optimized for   *
*               the SDCI energy for Li2 at equilibrium and the         *
*               third added as an additional diffuse                   *
*                                                                      *
* Contraction: State             Field Method Weight                   *
*              Li:  2S           0.000  SDCI  1.000                    *
*              Li:  2S           0.010  SDCI  1.000                    *
*              Li+: 1S           0.000  SDCI  1.000                    *
*              Li2: 1S+g         0.000  SDCI  1.000                    *
*                                                                      *
* Contraction range: 3s2p1d   - 4s3p2d1f for SCF                       *
*                    4s3p2d1f - 6s5p3d2f for correlated wavefunctions  *
************************************************************************
Options
OrbitalEnergies
EndOptions
     3.0   3
* s-type functions
   14    7
       9497.93440000
       1416.81120000
        321.45994000
         91.12416300
         29.99989100
         11.01763100
          4.37280100
          1.83125600
          0.80226100
          0.36264800
          0.11399500
          0.05123700
          0.02246800
          0.00786000
   0.00007470  -0.00001100   0.00000638  -0.00004010   0.00015532  -0.00009080   0.00011504
   0.00058364  -0.00008570   0.00004887  -0.00031020   0.00121291  -0.00080800   0.00178481
   0.00306095  -0.00045070   0.00026583  -0.00164650   0.00634647  -0.00344990   0.00751603
   0.01260109  -0.00186300   0.00106853  -0.00663950   0.02593172  -0.01828850   0.03812838
   0.04234724  -0.00635750   0.00397706  -0.02266020   0.08532950  -0.03965920   0.08409746
   0.11475802  -0.01776730   0.01120297  -0.05824470   0.21962465  -0.16642250   0.29558749
   0.23936592  -0.03979680   0.03121889  -0.12226070   0.40388973  -0.04379520  -0.02520220
   0.35759179  -0.07012820   0.06165080  -0.13524710   0.36488271  -0.58547960   1.07158010
   0.30337582  -0.10294690   0.15065016  -0.05426510  -0.55096830   1.98639270  -4.70272600
   0.08637933  -0.09370780   0.18747829   0.08320127  -1.38761000  -1.18902300   6.30373310
   0.00264390   0.22012877  -1.09410700   1.74793500   1.98390880  -2.53549100  -6.80808300
   0.00121696   0.59337736  -0.29242230  -1.64630700  -0.75902980   5.70825090   6.82733670
   0.00056197   0.29452752   0.84809436  -0.74085420  -0.68444260  -4.86639100  -3.86025600
   0.00001973   0.02495030   0.44800085   1.30386500   0.64145200   1.77831420   1.08741890
    2
  -2.47773000  -0.19632000
* p-type functions
    9    6
         13.11950400
          3.07742420
          1.09880050
          0.43577840
          0.18024320
          0.07613330
          0.03254650
          0.01401820
          0.00490640
   0.00144897  -0.00232680   0.00948249  -0.01053320   0.01182621  -0.02081530
   0.00799578  -0.01122420   0.06320779  -0.07342820   0.10322211  -0.03441290
   0.02134846  -0.03446260   0.17514656  -0.24101740   0.88284569  -1.61886500
   0.05011954  -0.03387750   0.57689385  -0.88596330  -0.48451830   3.45420750
   0.19547388  -0.45445200   0.55635164   1.62517800  -1.22439100  -3.94646200
   0.41911190  -0.49630840  -1.29108200  -0.33356840   2.50685160   3.25711370
   0.34816472   0.48858791   0.20705209  -1.25048500  -2.25679800  -1.87586400
   0.15059753   0.56023390   0.42867281   0.94681211   0.70847643   0.38676017
   0.01570330   0.07028069   0.00433116   0.20398213   0.40248134   0.31294744
    0
* d-type functions
    4    4
          0.45000000
          0.15750000
          0.05512500
          0.01929380
   0.02237294  -0.03046180   0.17667927  -1.37994600
   0.37508794  -0.57345880   0.99447178   1.41631800
   0.46891728  -0.27418710  -1.55262100  -0.87108730
   0.36536291   0.95628826   0.87869005   0.34180135
    0
* f-type functions
    3    3
          0.24000000
          0.09600000
          0.03840000
   0.38777831  -0.37956520   1.27221150
   0.40160976  -0.61030860  -1.59633100
   0.44614994   1.09006880   0.72502696
    0

/Be.ANO-L.Widmark.14s9p4d3f.7s7p4d3f.
P.-O. Widmark, P.-A. Malmqvist, B.O. Roos. Theor. Chim. Acta 77 (1990) 291-306. doi: 10.1007/bf01120130
BERYLLIUM (14s,9p,4d,3f) -> [7s,7p,4d,3f]
************************************************************************
* Be Beryllium atom.                                                   *
* Basic primitive: Duijneveldt 13s                                     *
* Augmented: 8p SCF optimized for the 3P state.                        *
*            1s with exponent 0.35x lowest exponent                    *
*            1p with exponent 0.35x lowest exponent                    *
*            4d eventempered with scale factor 0.35, 3 optimized for   *
*               the SDCI energy for Be ground state and the            *
*               fourth added as an additional diffuse                  *
*            3f eventempered with scale factor 0.40, 2 optimized for   *
*               the SDCI energy for Be ground state and the            *
*               third added as an additional diffuse                   *
*                                                                      *
* Contraction: State             Field Method Weight                   *
*              Be:  1S(2s2)      0.000  SDCI  1.000                    *
*              Be:  1S(2s2)      0.050  SDCI  1.000                    *
*              Be+: 2S(2s)       0.000  SDCI  1.000                    *
*              Be:  1P(2s2p)     0.000  SDCI  1.000                    *
*                                                                      *
* Contraction range: 3s2p1d   - 4s3p2d1f for SCF                       *
*                    4s3p2d1f - 6s5p3d2f for correlated wavefunctions  *
************************************************************************
Options
OrbitalEnergies
EndOptions
     4.0   3
* s-type functions
   14    7
      22628.59900000
       3372.31810000
        760.35040000
        211.74048000
         67.22346800
         23.37217700
          8.72137300
          3.46809100
          1.45214400
          0.60861500
          0.25768600
          0.10417600
          0.04242700
          0.01484900
   0.00005331  -0.00001020   0.00001238  -0.00001630   0.00002035  -0.00001760   0.00003636
   0.00041812  -0.00008040   0.00009764  -0.00010870   0.00013929  -0.00022120   0.00062288
   0.00222604  -0.00042810   0.00051672  -0.00072720   0.00089927  -0.00054460   0.00075391
   0.00956276  -0.00184870   0.00225262  -0.00232140   0.00303917  -0.00596110   0.01802867
   0.03481791  -0.00680080   0.00822815  -0.01240240   0.01555533  -0.00646010   0.00557319
   0.10594611  -0.02137190   0.02644133  -0.02509110   0.03697737  -0.09036580   0.32913721
   0.24566318  -0.05303520   0.06578965  -0.11646220   0.15845461  -0.02845010  -0.07194000
   0.38607362  -0.10045770   0.13010642  -0.06311670   0.08359833  -0.63443490   2.19010400
   0.31037318  -0.13751390   0.19754924  -0.67003370   0.95775189   0.36704639  -6.12705200
   0.06389402  -0.06507040   0.07492653   1.22635800  -3.52772300   2.49907950   7.61711660
  -0.00153140   0.32457317  -1.38872200   1.07468780   3.75338910  -5.25740800  -6.35496300
   0.00118247   0.61816433   0.15458295  -2.96245500  -1.19402400   6.07394690   4.22688200
  -0.00025210   0.20476749   1.02601810   1.56000350  -1.24778000  -4.68841900  -2.22188200
   0.00007381   0.00430350   0.02577768   0.28184411   1.35910940   1.96362750   0.67419548
    2
  -4.73267000  -0.30927000
* p-type functions
    9    7
         33.71018400
          8.05764950
          2.83647140
          1.09996570
          0.44339640
          0.18222640
          0.07572410
          0.03168540
          0.01108990
   0.00103783  -0.00121420   0.00258725  -0.00228730   0.00676966  -0.01722530   0.04731366
   0.00660868  -0.00561260   0.02089535  -0.05162490   0.04194085   0.03852139  -0.05438950
   0.02155898  -0.02547970   0.05737162  -0.02179070   0.21838026  -0.70938900   1.86976540
   0.06087782  -0.01144150   0.26426850  -1.01121800   1.16285860   0.42014098  -3.22171200
   0.20355732  -0.51385070   1.06476000   0.73527735  -2.55567800   0.79154814   3.33039340
   0.45796695  -0.49080920  -1.43630700   0.91566937   2.69237530  -2.07813000  -2.89636200
   0.36859063   0.72214518  -0.05473260  -1.93169500  -1.67257500   2.91799930   2.29462580
   0.06306415   0.43076218   0.77703464   1.16330190   0.12607530  -2.72647300  -1.46345100
   0.00210971   0.00225563  -0.03205040   0.20468349   0.67295606   1.52897950   0.59516015
    0
* d-type functions
    4    4
          1.40000000
          0.49000000
          0.17150000
          0.06002500
   0.00667733  -0.01038680   0.18372869  -1.37948800
   0.24681337   0.89258071   0.84246998   1.37735300
   0.65744628  -0.15070990  -1.49449700  -0.88091080
   0.25351913  -0.68121650   1.11748040   0.39975521
    0
* f-type functions
    3    3
          0.50000000
          0.20000000
          0.08000000
   0.32812970  -1.10394400   0.76590034
   0.65980420   0.65022981  -1.49127500
   0.16284725   0.35201447   1.32760330
    0

/B.ANO-L.Widmark.14s9p4d3f.7s7p4d3f.
P.-O. Widmark, P.-A. Malmqvist, B.O. Roos. Theor. Chim. Acta 77 (1990) 291-306. doi: 10.1007/bf01120130
BORON (14s,9p,4d,3f) -> [7s,7p,4d,3f]
************************************************************************
* B Boron atom                                                         *
* Basic primitive: Duijneveldt 13s,8p                                  *
* Augmented: 1s with exponent 0.35x lowest exponent                    *
*            1p with exponent 0.35x lowest exponent                    *
*            4d eventempered with scale factor 0.35, 3 optimized for   *
*               the SDCI energy for the ground state atom, and the     *
*               fourth added as an additional diffuse                  *
*            3f eventempered with scale factor 0.40, 2 optimized for   *
*               the SDCI energy for the ground state atom, and the     *
*               third added as an additional diffuse                   *
*                                                                      *
* Contraction: State             Field Method Weight                   *
*              B: 2P(2s2,2p)     0.000  SDCI  1.000                    *
*              B: 2P(2s2,2p)     0.050  SDCI  1.000                    *
*              B+: 2S(2s2)       0.000  SDCI  1.000                    *
*              B-: 1D(s2s,2p2)   0.000  SDCI  1.000                    *
*                                                                      *
* Contraction range: 3s2p1d   - 4s3p2d1f for SCF                       *
*                    4s3p2d1f - 6s5p3d2f for correlated wavefunctions  *
************************************************************************
Options
OrbitalEnergies
EndOptions
     5.0   3
* s-type functions
   14    7
      33360.21700000
       4972.09520000
       1125.64170000
        316.49136000
        102.00726000
         36.29587300
         13.97141000
          5.74115600
          2.49426800
          1.11420200
          0.42154900
          0.16963300
          0.06853500
          0.02398700
   0.00005830  -0.00001210   0.00001207  -0.00001800   0.00002150  -0.00002970   0.00005127
   0.00045649  -0.00009500   0.00009451  -0.00012920   0.00013762  -0.00025970   0.00073214
   0.00240885  -0.00050280   0.00049965  -0.00077710   0.00096494  -0.00116740   0.00138013
   0.01016307  -0.00212640   0.00211919  -0.00278200   0.00280308  -0.00621840   0.02044693
   0.03609547  -0.00767440   0.00765190  -0.01256000   0.01654501  -0.01828460   0.01805032
   0.10598103  -0.02321790   0.02340454  -0.03012700   0.03061558  -0.08889520   0.38823783
   0.23956537  -0.05694680   0.05811557  -0.11132910   0.16803218  -0.16619540   0.02357906
   0.37377265  -0.10625770   0.11167395  -0.10474970   0.02641519  -0.38647250   1.93548530
   0.30814648  -0.14576940   0.17056231  -0.45988410   0.82053218  -0.34037210  -6.08522300
   0.07769277  -0.04302850   0.01726759   0.67401792  -2.15453300   3.35584750   6.91099290
   0.00147971   0.37194411  -0.99890440   1.50425190   1.02175820  -5.71897200  -5.16933500
   0.00049907   0.56520899  -0.22657220  -2.47604300   1.70610160   6.00182310   3.51720680
  -0.00002620   0.19212692   1.02945500   0.57766702  -3.08376400  -4.01316800  -1.76163200
   0.00002361   0.02191276   0.22137860   0.74299933   1.80833780   1.41907240   0.49774487
    2
  -7.69533000  -0.49469000
* p-type functions
    9    7
         55.00000000
         13.36610100
          4.13539400
          1.48125600
          0.60213600
          0.25563600
          0.11115100
          0.04764800
          0.01667700
   0.00101856  -0.00077760   0.00075901  -0.00322100   0.00638030  -0.01241810   0.03972953
   0.00739575  -0.00577680   0.00591508  -0.03257940   0.03979359  -0.01573250   0.02223552
   0.03225139  -0.02261340   0.01360093  -0.13130910   0.32302223  -0.64180720   1.59564350
   0.09834638  -0.06968340   0.03206285  -0.68095730   0.89709816  -0.04839430  -3.20675800
   0.23180240  -0.25511460   0.62952613  -0.34919830  -1.69985000   1.97469980   3.85283750
   0.34124357  -0.36077860   0.17326486   1.39374620   0.57073026  -3.75320200  -3.51234500
   0.29329828   0.06123947  -0.89178530  -0.35297960   1.31734040   4.10706750   2.51710150
   0.16959513   0.29599379  -0.35355500  -0.77473540  -1.86422900  -2.70560800  -1.26325000
   0.15075694   0.66292780   0.84690415   0.57687382   0.89953374   0.91474254   0.35546667
    1
  -0.30986000
* d-type functions
    4    4
          1.20000000
          0.42000000
          0.14700000
          0.05145000
   0.08034579  -0.12246280   0.51304622  -1.28538900
   0.42193576  -0.56047330   0.50979375   1.64694400
   0.46391674  -0.08942600  -1.31899900  -1.22535700
   0.28557335   0.90159381   0.86638551   0.54022884
    0
* f-type functions
    3    3
          0.85000000
          0.34000000
          0.13600000
   0.18252189  -0.47733130   1.28522540
   0.39464534  -0.65781140  -1.57910700
   0.61043750   0.95136724   0.79701334
    0

/C.ANO-L.Widmark.14s9p4d3f.7s7p4d3f.
P.-O. Widmark, P.-A. Malmqvist, B.O. Roos. Theor. Chim. Acta 77 (1990) 291-306. doi: 10.1007/bf01120130
CARBON (14s,9p,4d,3f) -> [7s,7p,4d,3f]
************************************************************************
* C Carbon atom                                                        *
* Basic primitive: Duijneveldt 13s,8p                                  *
* Augmented: 1s with exponent 0.35x lowest exponent                    *
*            1p with exponent 0.35x lowest exponent                    *
*            4d eventempered with scale factor 0.35, 3 optimized for   *
*               the SDCI energy for the ground state atom, and the     *
*               fourth added as an additional diffuse                  *
*            3f eventempered with scale factor 0.40, 2 optimized for   *
*               the SDCI energy for the ground state atom, and the     *
*               third added as an additional diffuse                   *
*                                                                      *
* Contraction: State             Field Method Weight                   *
*              C: 3P(2s2,2p2)    0.000  SDCI  1.000                    *
*              C: 3P(2s2,2p2)    0.100  SDCI  1.000                    *
*              C: 1D(2s2,2p2)    0.000  SDCI  1.000                    *
*              C+: 2P(s2s,2p)    0.000  SDCI  1.000                    *
*              C-: 4S(2s2,2p3)   0.000  SDCI  1.000                    *
*                                                                      *
* Contraction range: 3s2p1d   - 4s3p2d1f for SCF                       *
*                    4s3p2d1f - 6s5p3d2f for correlated wavefunctions  *
************************************************************************
Options
OrbitalEnergies
EndOptions
     6.0   3
* s-type functions
   14    7
      50557.50100000
       7524.78560000
       1694.32760000
        472.82279000
        151.71075000
         53.91874600
         20.65931100
          8.38397600
          3.57701500
          1.54711800
          0.61301300
          0.24606800
          0.09908700
          0.03468000
   0.00005527  -0.00001200   0.00001185  -0.00001560   0.00001740  -0.00002640   0.00004016
   0.00043433  -0.00009400   0.00009271  -0.00011400   0.00012323  -0.00023040   0.00059307
   0.00231588  -0.00050280   0.00049893  -0.00067310   0.00076340  -0.00105050   0.00107059
   0.00987292  -0.00214760   0.00211800  -0.00253230   0.00270031  -0.00558350   0.01671916
   0.03521949  -0.00779420   0.00777839  -0.01090030   0.01267800  -0.01618300   0.01105065
   0.10419375  -0.02376340   0.02363282  -0.02778070   0.03028665  -0.07501680   0.29532914
   0.24127411  -0.06002350   0.06163057  -0.09587130   0.12014642  -0.14314100   0.00515367
   0.38401741  -0.11539850   0.11896802  -0.12478060   0.12427731  -0.46572560   2.16279870
   0.30823714  -0.15390090   0.18806208  -0.39324600   0.55304311  -0.28302820  -6.26614000
   0.06830554  -0.01459460  -0.05403040   0.67960039  -1.66049700   3.61864510   7.28767150
   0.00077821   0.38958492  -0.98141370   1.19786900   0.21977066  -6.07798100  -5.59652900
   0.00099049   0.53972907  -0.10967580  -1.89795200   2.65683290   5.94724980   3.60314420
  -0.00008930   0.18840601   0.88473559  -0.00446140  -3.59655600  -3.68261200  -1.72542600
   0.00004714   0.02585753   0.29649833   1.01421480   1.85211290   1.17789050   0.46167938
    2
 -11.32554000  -0.70563000
* p-type functions
    9    7
         83.33315500
         19.55761100
          6.08036500
          2.17931700
          0.86515000
          0.36194400
          0.15474000
          0.06542900
          0.02290000
   0.00122406  -0.00114440   0.00146694  -0.00372130   0.00715443  -0.01063800   0.02834771
   0.00943894  -0.00897960   0.01445532  -0.03798440   0.03646278  -0.01819580   0.02707123
   0.04177441  -0.03784560   0.04663731  -0.16980420   0.40106973  -0.62060320   1.55819730
   0.13183304  -0.12927080   0.23665375  -0.81141520   0.70600551   0.20755858  -3.06512400
   0.27891188  -0.37840220   0.60887342   0.24217302  -2.00322300   1.35753470   3.65629450
   0.36686633  -0.26921370  -0.39177930   1.30306730   1.65498400  -3.08721400  -3.38831100
   0.27905913   0.29175424  -0.87002290  -1.20014200   0.06014000   3.84626120   2.50413430
   0.13804807   0.54366980   0.42005046  -0.09054520  -1.25485700  -2.93103800  -1.33182700
   0.03419495   0.26283081   0.57994967   0.56980090   0.93443306   1.20848960   0.41329661
    1
  -0.43335000
* d-type functions
    4    4
          1.90000000
          0.66500000
          0.23275000
          0.08146300
   0.09873123  -0.14550130   0.56376833  -1.26021500
   0.45296608  -0.50768090   0.43125921   1.67796820
   0.43624570  -0.10156300  -1.27799800  -1.27694800
   0.27192502   0.92519220   0.83542052   0.55593172
    0
* f-type functions
    3    3
          1.25000000
          0.50000000
          0.20000000
   0.31136503  -0.50413800   1.24974420
   0.51596730  -0.43737190  -1.62003800
   0.37742313   1.01472460   0.86072619
    0

/N.ANO-L.Widmark.14s9p4d3f.7s7p4d3f.
P.-O. Widmark, P.-A. Malmqvist, B.O. Roos. Theor. Chim. Acta 77 (1990) 291-306. doi: 10.1007/bf01120130
NITROGEN (14s,9p,4d,3f) -> [7s,7p,4d,3f]
************************************************************************
* N Nitrogen atom                                                      *
* Basic primitive: Duijneveldt 13s,8p                                  *
* Augmented: 1s with exponent 0.35x lowest exponent                    *
*            1p with exponent 0.35x lowest exponent                    *
*            4d eventempered with scale factor 0.35, 3 optimized for   *
*               the SDCI energy for the ground state atom, and the     *
*               fourth added as an additional diffuse                  *
*            3f eventempered with scale factor 0.40, 2 optimized for   *
*               the SDCI energy for the ground state atom, and the     *
*               third added as an additional diffuse                   *
*                                                                      *
* Contraction: State             Field Method Weight                   *
*              N: 4S(2s2,2p3)    0.000  SDCI  1.000                    *
*              N: 4S(2s2,2p3)    0.100  SDCI  1.000                    *
*              N: 2D(2s2,2p3)    0.000  SDCI  1.000                    *
*              N+: 3P(s2s,2p2)   0.000  SDCI  1.000                    *
*              N-: 3P(2s2,2p4)   0.000  SDCI  1.000                    *
*                                                                      *
* Contraction range: 3s2p1d   - 4s3p2d1f for SCF                       *
*                    4s3p2d1f - 6s5p3d2f for correlated wavefunctions  *
************************************************************************
Options
OrbitalEnergies
EndOptions
     7.0   3
* s-type functions
   14    7
      74761.71500000
      11123.65400000
       2512.68570000
        703.77729000
        225.47879000
         79.61581000
         30.23728300
         12.26362200
          5.26508600
          2.33347100
          0.90185600
          0.35833600
          0.14109300
          0.04938300
   0.00005021  -0.00001120   0.00000972  -0.00001210   0.00001870  -0.00002470   0.00003384
   0.00039457  -0.00008780   0.00007649  -0.00009030   0.00012934  -0.00021520   0.00054713
   0.00208853  -0.00046670   0.00040479  -0.00051790   0.00082182  -0.00097620   0.00077659
   0.00890794  -0.00199310   0.00173983  -0.00200460   0.00277581  -0.00516420   0.01549005
   0.03208845  -0.00730330   0.00634559  -0.00836000   0.01376942  -0.01510430   0.00542703
   0.09744736  -0.02282590   0.02014048  -0.02274400   0.03116421  -0.06987000   0.27055601
   0.23178948  -0.05922070   0.05240308  -0.07448660   0.13563675  -0.14093050  -0.02572470
   0.37769114  -0.11561210   0.10665174  -0.11086000   0.13557620  -0.48168400   2.39222300
   0.31879166  -0.15650830   0.15833879  -0.29833890   0.66633412  -0.39906890  -6.65441700
   0.08237821  -0.02310580  -0.00500510   0.32128217  -1.62494200   3.68954630   7.37535850
   0.00279048   0.37564757  -0.84187200   1.17102980  -0.38598650  -5.88545800  -5.34305200
   0.00024647   0.54576534  -0.15905630  -0.86495620   3.23066540   5.57879400   3.38505510
  -0.00002890   0.21035430   0.59120260  -1.22379300  -3.51745000  -3.35119300  -1.60707200
   0.00000968   0.01278945   0.57660532   1.44458050   1.52006560   1.04577910   0.43667786
    2
 -15.62909000  -0.94531000
* p-type functions
    9    7
        126.66657000
         29.83738900
          9.39403800
          3.40510400
          1.35000000
          0.55769600
          0.23244900
          0.09426400
          0.03299200
   0.00114231  -0.00095650   0.00142011  -0.00270580   0.00470949  -0.01104050   0.02876106
   0.00895909  -0.00757630   0.01254386  -0.03026210   0.03861619  -0.01841520   0.00642162
   0.04053750  -0.03369470   0.05099132  -0.11909920   0.26167989  -0.64314790   1.62940470
   0.12949014  -0.11334370   0.20571183  -0.62785490   0.90516411  -0.07855090  -3.07470800
   0.27678081  -0.30554980   0.54520414  -0.21161480  -1.62329000   1.87675050   3.46941960
   0.36888892  -0.27339530  -0.15225420   1.40746300   0.49583691  -3.31823200  -3.02519000
   0.29346193   0.20192518  -0.83771660  -0.66666490   1.23900220   3.49927400   2.12504780
   0.12846833   0.49253441   0.04965949  -0.68070720  -1.78065100  -2.38397600  -1.11538100
   0.03905858   0.40980124   0.74594407   0.74984862   0.94918349   0.90260257   0.35531417
    1
  -0.56758000
* d-type functions
    4    4
          2.75000000
          0.96250000
          0.33687500
          0.11790600
   0.12053068  -0.17333210   0.61298904  -1.23149000
   0.50760685  -0.47399030   0.31696608   1.69754920
   0.44539556   0.03678810  -1.21666300  -1.33583800
   0.15876917   0.89316126   0.87035573   0.59701343
    0
* f-type functions
    3    3
          1.80000000
          0.72000000
          0.28800000
   0.33068755  -0.76707010   1.10236700
   0.55560706  -0.01115110  -1.66529800
   0.30748869   0.80193318   1.08412070
    0

/O.ANO-L.Widmark.14s9p4d3f.7s7p4d3f.
P.-O. Widmark, P.-A. Malmqvist, B.O. Roos. Theor. Chim. Acta 77 (1990) 291-306. doi: 10.1007/bf01120130
OXYGEN (14s,9p,4d,3f) -> [7s,7p,4d,3f]
************************************************************************
* O Oxygen atom                                                        *
* Basic primitive: Duijneveldt 13s,8p                                  *
* Augmented: 1s with exponent 0.35x lowest exponent                    *
*            1p with exponent 0.35x lowest exponent                    *
*            4d eventempered with scale factor 0.35, 3 optimized for   *
*               the SDCI energy for the ground state atom, and the     *
*               fourth added as an additional diffuse                  *
*            3f eventempered with scale factor 0.40, 2 optimized for   *
*               the SDCI energy for the ground state atom, and the     *
*               third added as an additional diffuse                   *
*                                                                      *
* Contraction: State             Field Method Weight                   *
*              O: 3P(2s2,2p4)    0.000  SDCI  1.000                    *
*              O: 3P(2s2,2p4)    0.100  SDCI  1.000                    *
*              O: 1D(2s2,2p4)    0.000  SDCI  1.000                    *
*              O+: 4S(s2s,2p3)   0.000  SDCI  1.000                    *
*              O-: 2P(2s2,2p5)   0.000  SDCI  1.000                    *
*                                                                      *
* Contraction range: 3s2p1d   - 4s3p2d1f for SCF                       *
*                    4s3p2d1f - 6s5p3d2f for correlated wavefunctions  *
************************************************************************
Options
OrbitalEnergies
EndOptions
     8.0   3
* s-type functions
   14    7
     105374.95000000
      15679.24000000
       3534.54470000
        987.36516000
        315.97875000
        111.65428000
         42.69945100
         17.39559600
          7.43830900
          3.22286200
          1.25387700
          0.49515500
          0.19166500
          0.06708300
   0.00004590  -0.00001050   0.00000896  -0.00001090   0.00001811  -0.00002240   0.00002623
   0.00036065  -0.00008250   0.00007048  -0.00008220   0.00012131  -0.00019470   0.00053679
   0.00191977  -0.00044120   0.00037567  -0.00046750   0.00080932  -0.00089120   0.00034041
   0.00820666  -0.00188640   0.00161462  -0.00184650   0.00257695  -0.00469920   0.01582333
   0.02972570  -0.00695400   0.00593400  -0.00755850   0.01377944  -0.01381340  -0.00467940
   0.09045579  -0.02172080   0.01878662  -0.02108680   0.02811115  -0.06289440   0.27278165
   0.21740537  -0.05685130   0.04946829  -0.06675110   0.13747540  -0.12855560  -0.14732960
   0.36876567  -0.11396350   0.10303987  -0.10936730   0.12206903  -0.46171980   2.67867620
   0.33727977  -0.16202010   0.16205865  -0.27314310   0.73734928  -0.49460860  -6.72679400
   0.09675046  -0.03338000   0.00093665   0.20971367  -1.70575100   3.79097000   7.25416710
   0.00256736   0.36550685  -0.82242510   1.20348070  -0.35040600  -5.90661100  -5.23228500
   0.00137461   0.55200311  -0.10179020  -0.67746940   3.14299460   5.49744820   3.24510960
  -0.00014100   0.22363927   0.42539393  -1.42988400  -3.34748100  -3.29851000  -1.53411200
   0.00006829   0.00657453   0.68770275   1.48910680   1.40123750   1.04571810   0.42569636
    2
 -20.66866000  -1.24433000
* p-type functions
    9    7
        200.00000000
         46.53336700
         14.62180900
          5.31306400
          2.10252500
          0.85022300
          0.33759700
          0.12889200
          0.04511200
   0.00089331  -0.00083840   0.00126180  -0.00195280   0.00307588  -0.00953260   0.02825071
   0.00736901  -0.00684910   0.01116281  -0.02434040   0.03750571  -0.00762710  -0.01226030
   0.03493921  -0.03285050   0.05183165  -0.09447540   0.18584407  -0.57234150   1.69573470
   0.11529855  -0.11000600   0.19788446  -0.54898560   1.02706510  -0.29472870  -2.99796200
   0.25832314  -0.31352630   0.57076519  -0.34954760  -1.56754100   1.99526890   3.11919360
   0.36962312  -0.31960110  -0.17892910   1.46590890   0.38159176  -3.06893200  -2.48917000
   0.32387894   0.22172426  -0.89820770  -0.75718940   1.14666480   3.03982730   1.65890210
   0.14679893   0.56226160   0.26666430  -0.59056730  -1.66270400  -2.14340600  -0.90280500
   0.03361269   0.30132513   0.62589942   0.79593212   0.97284427   0.90601969   0.32262057
    1
  -0.63192000
* d-type functions
    4    4
          3.75000000
          1.31250000
          0.45937500
          0.16078100
   0.12849338  -0.21820550   0.62420931  -1.21783900
   0.52118843  -0.48176950   0.24030630   1.70381520
   0.43457843   0.13575954  -1.18364200  -1.36241400
   0.14574094   0.82977340   0.92087218   0.61572759
    0
* f-type functions
    3    3
          2.35000000
          0.94000000
          0.37600000
   0.36341106  -0.88354060   1.00012620
   0.56215546   0.22624078  -1.64767600
   0.26352789   0.67223250   1.17966960
    0

/F.ANO-L.Widmark.14s9p4d3f.7s7p4d3f.
P.-O. Widmark, P.-A. Malmqvist, B.O. Roos. Theor. Chim. Acta 77 (1990) 291-306. doi: 10.1007/bf01120130
FLUORINE (14s,9p,4d,3f) -> [7s,7p,4d,3f]
************************************************************************
* F Fluorine atom                                                      *
* Basic primitive: Duijneveldt 13s,8p                                  *
* Augmented: 1s with exponent 0.35x lowest exponent                    *
*            1p with exponent 0.35x lowest exponent                    *
*            4d eventempered with scale factor 0.35, 3 optimized for   *
*               the SDCI energy for the ground state atom, and the     *
*               fourth added as an additional diffuse                  *
*            3f eventempered with scale factor 0.40, 2 optimized for   *
*               the SDCI energy for the ground state atom, and the     *
*               third added as an additional diffuse                   *
*                                                                      *
* Contraction: State             Field Method Weight                   *
*              F: 2P(2s2,2p5)    0.000  SDCI  1.000                    *
*              F: 2P(2s2,2p5)    0.100  SDCI  1.000                    *
*              F+: 3P(s2s,2p4)   0.000  SDCI  1.000                    *
*              F-: 1S(2s2,2p6)   0.000  SDCI  1.000                    *
*                                                                      *
* Contraction range: 3s2p1d   - 4s3p2d1f for SCF                       *
*                    4s3p2d1f - 6s5p3d2f for correlated wavefunctions  *
************************************************************************
Options
OrbitalEnergies
EndOptions
     9.0   3
* s-type functions
   14    7
     103109.46000000
      15281.00700000
       3441.53920000
        967.09483000
        314.03534000
        113.44230000
         44.64472700
         18.94287400
          8.53274300
          3.91940100
          1.56815700
          0.62329000
          0.24086100
          0.08430100
   0.00006366  -0.00001480   0.00001511  -0.00001540   0.00002451  -0.00002820   0.00004066
   0.00050280  -0.00011720   0.00011869  -0.00011600   0.00016934  -0.00026590   0.00059464
   0.00266772  -0.00062390   0.00063631  -0.00065960   0.00108913  -0.00108100   0.00108843
   0.01120034  -0.00262800   0.00265994  -0.00255000   0.00356213  -0.00651420   0.01657711
   0.03909798  -0.00935030   0.00960683  -0.01023610   0.01777027  -0.01499930   0.00822959
   0.11226574  -0.02784900   0.02843363  -0.02676290   0.03582817  -0.08522240   0.27258536
   0.24720417  -0.06768800   0.07198306  -0.08293450   0.16274938  -0.10185240  -0.07079550
   0.36803449  -0.12305420   0.13103926  -0.11416490   0.12263698  -0.64930630   2.70821660
   0.29086165  -0.15221800   0.20316169  -0.31608660   0.80374174   0.03279916  -7.60873200
   0.07810237  -0.00757940  -0.09159900   0.44872390  -2.23161400   3.33328970   8.56086850
   0.00354034   0.37593135  -1.00702500   1.16053510   0.63328329  -5.83875300  -6.13700000
   0.00091567   0.54384824   0.01746266  -1.36957000   2.29000020   5.72215050   3.78063640
   0.00007651   0.21277464   0.74900266  -0.60414010  -3.12315900  -3.62695100  -1.80847900
   0.00002052   0.00664218   0.34476916   1.29671020   1.53811960   1.23454110   0.51698243
    2
 -26.38273000  -1.57254000
* p-type functions
    9    7
        245.33029000
         56.91900500
         17.60456800
          6.27499500
          2.44703000
          0.99506000
          0.40397300
          0.15481000
          0.05418400
   0.00098798  -0.00097930   0.00140028  -0.00214470   0.00405121  -0.01052850   0.02358777
   0.00829107  -0.00834100   0.01356231  -0.02797690   0.03277105   0.00039496  -0.00032860
   0.04073905  -0.04074570   0.06060520  -0.11268560   0.25347429  -0.65678980   1.59986480
   0.13533040  -0.14552660   0.26782202  -0.68476350   0.94411468   0.06605251  -2.89716300
   0.28096366  -0.35562750   0.58183694   0.02453601  -1.88088800   1.51020340   3.19565280
   0.35883509  -0.25371630  -0.42803960   1.38243700   1.12690820  -2.82985600  -2.76709800
   0.30381116   0.28087005  -0.79915710  -1.14451700   0.45705245   3.10740180   1.95670340
   0.13893786   0.56520351   0.46852138  -0.20204710  -1.36574600  -2.34182400  -1.09750200
   0.02581864   0.23237085   0.48624407   0.68548718   0.97459622   1.06253640   0.40858663
    1
  -0.73001000
* d-type functions
    4    4
          5.00000000
          1.75000000
          0.61250000
          0.21437500
   0.13035593  -0.28336550   0.64835313  -1.19132000
   0.52550546  -0.53295890   0.08528133   1.70205760
   0.44216398   0.33934736  -1.07624500  -1.41262300
   0.12327467   0.67721894   1.00032870   0.68001101
    0
* f-type functions
    3    3
          3.20000000
          1.28000000
          0.51200000
   0.35649821  -0.89941610   0.98839444
   0.58411540   0.26248017  -1.63461100
   0.24042220   0.65173543   1.19599410
    0

/Ne.ANO-L.Widmark.14s9p4d3f.7s7p4d3f.
P.-O. Widmark, P.-A. Malmqvist, B.O. Roos. Theor. Chim. Acta 77 (1990) 291-306. doi: 10.1007/bf01120130
NEON (14s,9p,4d,3f) -> [7s,7p,4d,3f]
************************************************************************
* Ne Neon atom                                                         *
* Basic primitive: Duijneveldt 13s,8p                                  *
* Augmented: 1s with exponent 0.35x lowest exponent                    *
*            1p with exponent 0.35x lowest exponent                    *
*            4d eventempered with scale factor 0.35, 3 optimized for   *
*               the SDCI energy for the ground state atom, and the     *
*               fourth added as an additional diffuse                  *
*            3f eventempered with scale factor 0.40, 2 optimized for   *
*               the SDCI energy for the ground state atom, and the     *
*               third added as an additional diffuse                   *
*                                                                      *
* Contraction: State             Field Method Weight                   *
*              Ne: 1S            0.000  SDCI  1.000                    *
*              Ne: 1S            0.100  SDCI  1.000                    *
*                                                                      *
* Contraction range: 3s2p1d   - 4s3p2d1f for SCF                       *
*                    4s3p2d1f - 6s5p3d2f for correlated wavefunctions  *
************************************************************************
Options
OrbitalEnergies
EndOptions
    10.0   3
* s-type functions
   14    7
     166165.08000000
      23107.52400000
       5060.15390000
       1384.61230000
        436.51258000
        153.47148000
         59.38908700
         24.86196700
         11.01570400
          4.96517500
          1.93650300
          0.76572800
          0.29553800
          0.10343800
   0.00004720  -0.00001110   0.00001383  -0.00001340   0.00001875  -0.00001760   0.00003229
   0.00040067  -0.00009420   0.00011547  -0.00010150   0.00013776  -0.00022000   0.00045106
   0.00219321  -0.00051800   0.00064915  -0.00065470   0.00092611  -0.00063950   0.00111081
   0.00958756  -0.00226650   0.00276318  -0.00232050   0.00310603  -0.00614240   0.01287317
   0.03507343  -0.00845930   0.01073356  -0.01138250   0.01639808  -0.00775470   0.01355924
   0.10465170  -0.02604860   0.03183250  -0.02534250   0.03407524  -0.09227380   0.22056798
   0.23771234  -0.06535970   0.08719603  -0.10583830   0.16092114  -0.02014290   0.03614270
   0.36960611  -0.12226570   0.15298113  -0.09837220   0.13776014  -0.84700760   2.44824150
   0.30616089  -0.15857100   0.28479790  -0.52302700   0.88474081   0.68366327  -7.00187400
   0.08419854  -0.00602870  -0.19295490   1.12262340  -2.83224200   2.15217650   7.90194210
   0.00370345   0.38289567  -1.32258800   0.49014011   2.19101090  -4.93553800  -5.90450800
   0.00096535   0.53886493   0.49012790  -1.73790500   0.44521021   5.66071450   3.94683700
   0.00005404   0.21144871   0.75461754   0.39778722  -2.20758300  -4.07937800  -2.04995400
   0.00002679   0.00280490   0.06136710   0.89004131   1.52725550   1.54375510   0.62967531
    2
 -32.77248000  -1.93043000
* p-type functions
    9    7
        234.94500000
         55.07738500
         17.38954900
          6.38953700
          2.54208200
          1.03376400
          0.41878800
          0.16462700
          0.05761900
   0.00158261  -0.00221020   0.00339886  -0.00759070   0.01763038  -0.01452060   0.00229881
   0.01257669  -0.01851140   0.03630469  -0.04185460   0.01841979  -0.07692860  -0.12938690
   0.05698653  -0.08152120   0.14392888  -0.43275860   1.14008380  -1.18830800  -0.03613240
   0.16812301  -0.29235700   0.73364643  -0.77251740  -1.41973000   2.61656990   0.37995449
   0.30738595  -0.54030600  -0.10766930   2.10381540   0.27750201  -3.39366900  -0.80746270
   0.35831115   0.09151549  -1.21431500  -1.59728600   1.31704940   3.41735800   1.34713190
   0.27869376   0.60908795   0.64108328  -0.00261610  -2.13642200  -2.65914600  -1.98460700
   0.09521109   0.24352740   0.35686171   0.63860642   1.42788810   1.19942890   2.34910200
   0.00210199   0.00713030   0.01895012  -0.00225460  -0.09672420   0.05325734  -1.73403600
    1
  -0.85044000
* d-type functions
    4    4
          6.42000000
          2.24700000
          0.78645000
          0.27525750
   0.13708557  -0.42047260   0.74155798  -1.09151100
   0.54470998  -0.55929570  -0.34783030   1.65347140
   0.44972742   0.70000990  -0.65982570  -1.52867100
   0.06537094   0.33900230   1.02106730   0.88040915
    0
* f-type functions
    3    3
          4.19000000
          1.67600000
          0.67040000
   0.34597039  -0.93628700   0.95741058
   0.61486823   0.33666424  -1.60954500
   0.20832288   0.60353969   1.22690880
    0

/Na.ANO-L.Widmark.17s12p5d4f.7s7p5d4f.
P.-O. Widmark, B.J. Persson, B.O. Roos. Theor. Chim. Acta 79 (1991) 419-432. doi:10.1007/bf01112569
SODIUM (17s,12p,5d,4f) -> [7s,7p,5d,4f]
************************************************************************
* Na Sodium atom                                                       *
* Basic primitive: 16s,11p - SCF optimized                             *
*                  4d,3f   - SDCI optimized for Na2                    *
* Augmented: 1s with exponent 0.40x lowest exponent                    *
*            1p with exponent 0.40x lowest exponent                    *
*            1d with exponent 0.40x lowest exponent                    *
*            1f with exponent 0.40x lowest exponent                    *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              Na    0.000  SCF   1.000                                *
*              Na    0.010  SCF   1.000                                *
*              Na+   0.000  SCF   1.000                                *
*              Na-   0.000  SCF   1.000                                *
*              Na2   0.000  SDCI  1.000                                *
*                                                                      *
* Contraction range: 4s3p2d1f - 7s6p4f3d                               *
************************************************************************
Options
OrbitalEnergies
EndOptions
    11.0   3
* s-type functions
   17    7
     138773.72000000
      20325.89900000
       5878.60490000
       2015.43730000
        739.62658000
        280.82116000
        108.71501000
         42.60157200
         16.82981700
          6.68644860
          2.66748770
          1.06746210
          0.42818910
          0.17208010
          0.06925880
          0.02790920
          0.01116330
   0.00007636  -0.00001870   0.00000255  -0.00000230   0.00000364  -0.00000170   0.00000819
   0.00052939  -0.00012910   0.00001760  -0.00001600   0.00002582  -0.00001000   0.00005880
   0.00183722  -0.00045110   0.00006160  -0.00005530   0.00008615  -0.00004890   0.00018769
   0.00653431  -0.00159820   0.00021769  -0.00019860   0.00032753  -0.00012770   0.00072363
   0.02092231  -0.00521350   0.00071184  -0.00063400   0.00100249  -0.00077750   0.00191318
   0.06426610  -0.01627270   0.00221369  -0.00199710   0.00347727  -0.00272200   0.00553738
   0.17089923  -0.04645830   0.00632867  -0.00546590   0.00977528  -0.01681110   0.00451727
   0.35610342  -0.11144450   0.01509121  -0.01276240   0.02880208  -0.07091840  -0.02862770
   0.40213461  -0.18537340   0.02530901  -0.01876960   0.05266945  -0.23941720  -0.20037900
   0.12746393  -0.06005440   0.00808949  -0.00747550   0.02852077  -0.06083470  -0.04602250
   0.00061064   0.35924086  -0.05305070   0.03897469  -0.18124290   0.78439608   0.73703463
   0.00338457   0.57207971  -0.11164110   0.08327536  -0.14683560   0.84719710   0.54990865
  -0.00132870   0.22321420  -0.13831340   0.20560497  -0.33984270  -2.03625300  -4.05508700
   0.00085748  -0.00502860  -0.02990100  -0.04683150   0.65955083  -0.24226820   6.84564270
  -0.00047610   0.00595957   0.44900485  -0.79823140   1.85913770   2.35803770  -6.67300500
   0.00022186  -0.00253770   0.47484493  -0.57595290  -3.55761200  -2.25578000   4.17809720
  -0.00006380   0.00078635   0.22905052   1.44086540   1.88655310   0.90445966  -1.37756600
    3
 -40.47850000  -2.79702000  -0.18210000
* p-type functions
   12    7
        383.79172000
         94.39807200
         32.36150700
         12.05435200
          4.64171860
          1.81728760
          0.71827120
          0.28558030
          0.11399470
          0.04562920
          0.01830100
          0.00732040
   0.00102867  -0.00011860   0.00015162  -0.00018580   0.00002038  -0.00055100   0.00095208
   0.00743093  -0.00086340   0.00110681  -0.00115460  -0.00049790  -0.00298220   0.01382221
   0.03273646  -0.00379970   0.00487773  -0.00606080   0.00196514  -0.01763440   0.02733073
   0.11687036  -0.01384260   0.01792042  -0.01828510  -0.00087320  -0.04111260   0.23314143
   0.27753763  -0.03315040   0.04350073  -0.05598100   0.05166830  -0.16828730   0.15243957
   0.39800015  -0.04899740   0.06554272  -0.05672000  -0.01024290  -0.08831030   1.08146070
   0.32331086  -0.04658270   0.07245938  -0.15067210   0.47624183  -0.68101140  -2.87078200
   0.09433492  -0.03024570   0.09073829  -0.00335500  -0.88974630   2.74262690   2.78845970
   0.00109373   0.22294313  -0.76763740   1.54882680  -0.26055090  -3.41564300  -2.02328000
   0.00178158   0.50923252  -0.39771490  -1.89946400   1.90119440   2.89186510   1.36038080
  -0.00069800   0.37196823   0.92303779   0.39892154  -2.63448100  -1.95273600  -0.81660250
   0.00022539   0.04475107   0.17065606   0.64929030   1.68088220   0.83260624   0.32845741
    1
  -1.51814000
* d-type functions
    5    5
          0.86260360
          0.34514180
          0.13809690
          0.05525480
          0.02210190
   0.02177426  -0.01348600   0.02840092  -0.21996970   1.60549640
  -0.00721860  -0.00299870  -0.20618900  -1.32891100  -2.05319700
   0.33517471  -0.46667530  -1.21588300   1.74648420   1.52244140
   0.36379749  -0.62374900   1.83133530  -1.18155100  -0.86614520
   0.49254995   1.10909490  -0.92087030   0.45691840   0.31065218
    0
* f-type functions
    4    4
          0.32814490
          0.15734730
          0.07544890
          0.03017960
   0.01063271  -0.03833350   0.14999444  -1.78928300
  -0.49599110  -0.30098330   1.34969190   2.32869060
  -0.26287320  -0.64602910  -1.83692700  -1.45328700
  -0.47485960   1.12421000   0.72136130   0.43897264
    0

/Mg.ANO-L.Widmark.17s12p5d4f.7s7p5d4f.
P.-O. Widmark, B.J. Persson, B.O. Roos. Theor. Chim. Acta 79 (1991) 419-432. doi:10.1007/bf01112569
MAGNESIUM (17s,12p,5d,4f) -> [7s,7p,5d,4f]
************************************************************************
* Mg Magnesium atom                                                    *
* Basic primitive: 16s,11p - SCF optimized                             *
*                  4d,3f   - SDCI optimized                            *
* Augmented: 1s with exponent 0.40x lowest exponent                    *
*            1p with exponent 0.40x lowest exponent                    *
*            1d with exponent 0.40x lowest exponent                    *
*            1f with exponent 0.40x lowest exponent                    *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              Mg    0.000  SDCI  1.000                                *
*              Mg    0.010  SDCI  1.000                                *
*              Mg+   0.000  SCF   1.000                                *
*                                                                      *
* Contraction range: 4s3p2d1f - 7s6p4f3d                               *
************************************************************************
Options
OrbitalEnergies
EndOptions
    12.0   3
* s-type functions
   17    7
     169973.87000000
      24699.06600000
       7175.48510000
       2478.79200000
        917.73259000
        351.75140000
        137.51557000
         54.43028600
         21.72256900
          8.71944840
          3.51471660
          1.42121320
          0.57607650
          0.23395250
          0.09515600
          0.03875100
          0.01550040
   0.00007417  -0.00001880   0.00000379  -0.00000440   0.00000684  -0.00000710   0.00001321
   0.00051736  -0.00013060   0.00002638  -0.00003080   0.00004631  -0.00004210   0.00007728
   0.00177276  -0.00045010   0.00009109  -0.00010460   0.00016849  -0.00019220   0.00036299
   0.00623864  -0.00157940   0.00031906  -0.00037490   0.00054725  -0.00044000   0.00079337
   0.01976587  -0.00509070   0.00103163  -0.00118030   0.00193137  -0.00229800   0.00436287
   0.06017463  -0.01575210   0.00318903  -0.00375480   0.00545737  -0.00428070   0.00776087
   0.16016295  -0.04484030   0.00913931  -0.01046200   0.01729461  -0.02100840   0.04052022
   0.33917581  -0.10853870   0.02227591  -0.02638960   0.03812473  -0.02842980   0.05182257
   0.40883352  -0.18759800   0.03965557  -0.04506790   0.07914147  -0.10871400   0.21014157
   0.15183413  -0.08683860   0.01868253  -0.02557030   0.01594961   0.06640619  -0.15681660
   0.00195927   0.33464216  -0.08001640   0.10765675  -0.13968240  -0.01738970  -0.02051220
   0.00418518   0.59813818  -0.18827570   0.21164824  -0.53435960   1.14513150  -2.33211900
  -0.00187660   0.23180428  -0.21162620   0.43129749  -0.28133200  -1.77632600   5.88968080
   0.00120338  -0.00693860   0.14066560  -0.96823710   3.08684680  -0.12364070  -7.26036100
  -0.00067450   0.00680179   0.68477064  -0.97343960  -3.53760100   3.00224390   6.35809540
   0.00031460  -0.00280300   0.34545022   1.46805860   1.02585020  -4.22933300  -4.17020600
  -0.00008880   0.00083003   0.00874972   0.09800990   0.56587909   2.41537470   1.56897470
    3
 -49.03160000  -3.76760000  -0.25300000
* p-type functions
   12    7
        557.13078000
        135.48388000
         47.21295800
         18.00095500
          7.11466070
          2.86302400
          1.16401850
          0.47630470
          0.19573560
          0.08067830
          0.03332660
          0.01333060
   0.00079833  -0.00016120   0.00013230  -0.00021600   0.00031544  -0.00038020   0.00115474
   0.00589231  -0.00119310   0.00094881  -0.00048420   0.00072367  -0.01047200   0.00506245
   0.02583591  -0.00524640   0.00431193  -0.00750940   0.01089367  -0.01088320   0.04388902
   0.09406296  -0.01931180   0.01513244  -0.00373040   0.00243732  -0.21383450   0.15098997
   0.24134480  -0.05049450   0.04187188  -0.07988840   0.12540044  -0.01104860   0.34574505
   0.38746464  -0.08296280   0.06595574   0.01126479   0.01067632  -1.28815400   0.08235444
   0.35595067  -0.08827490   0.09294055  -0.56057880   1.09323020   2.60937290  -1.27550500
   0.12288168  -0.03970790   0.05017503   0.66659154  -3.22292200  -1.91295900   1.89332610
   0.00380787   0.42165449  -0.75622220   1.23752910   3.64862140   0.65864915  -2.33094000
   0.00230283   0.58978450  -0.18127870  -2.36745000  -2.39119800   0.46088594   2.84090300
  -0.00085890   0.10380275   1.03897020   1.29736030   0.71760597  -1.19542200  -2.90012300
   0.00027579   0.00502440   0.09524704   0.07151495   0.17597721   0.94673660   1.73867420
    1
  -2.28211000
* d-type functions
    5    5
          1.04456440
          0.48574730
          0.22588410
          0.10504150
          0.04201660
   0.01605667  -0.04289690   0.20912538  -0.14929520   2.06436310
   0.02264646   0.18907793  -0.90436520   2.11748400  -2.82045200
   0.46449386   0.77129122  -0.29454590  -3.25254200   2.21597190
   0.47219231  -0.32119970   1.57346520   2.43512000  -1.22216600
   0.16336646  -0.76069020  -1.16827500  -0.93261780   0.38841560
    0
* f-type functions
    4    4
          0.49952380
          0.28386680
          0.16131440
          0.06452580
   0.00588707  -0.30407460   1.33050870  -2.23029600
  -0.51196050  -1.11399300  -1.05275100   4.26419750
  -0.46978720   1.10670980  -0.48770230  -3.30423900
  -0.11745110   0.30597008   0.97122301   1.22847620
    0

/Al.ANO-L.Widmark.17s12p5d4f.7s7p5d4f.
P.-O. Widmark, B.J. Persson, B.O. Roos. Theor. Chim. Acta 79 (1991) 419-432. doi:10.1007/bf01112569
ALUMINIUM (17s,12p,5d,4f) -> [7s,7p,5d,4f]
************************************************************************
* Al Aluminium atom                                                    *
* Basic primitive: 16s,11p - SCF optimized                             *
*                  4d,3f   - SDCI optimized                            *
* Augmented: 1s with exponent 0.40x lowest exponent                    *
*            1p with exponent 0.40x lowest exponent                    *
*            1d with exponent 0.40x lowest exponent                    *
*            1f with exponent 0.40x lowest exponent                    *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              Al    0.000  SDCI  1.000                                *
*              Al    0.020  SDCI  1.000                                *
*              Al+   0.000  SDCI  1.000                                *
*              Al-   0.000  SDCI  1.000                                *
*                                                                      *
* Contraction range: 4s3p2d1f - 7s6p4f3d                               *
************************************************************************
Options
OrbitalEnergies
EndOptions
    13.0   3
* s-type functions
   17    7
     208459.49000000
      29971.59800000
       8764.45650000
       3060.70730000
       1147.49630000
        445.75595000
        176.70642000
         70.94362000
         28.72400000
         11.69892300
          4.78536970
          1.96375180
          0.80785940
          0.33299060
          0.13746930
          0.05682380
          0.02272950
   0.00007078  -0.00001840   0.00000432  -0.00000430   0.00000648  -0.00000780   0.00001478
   0.00049759  -0.00012920   0.00003029  -0.00003050   0.00004502  -0.00004730   0.00008690
   0.00167444  -0.00043710   0.00010265  -0.00010220   0.00015532  -0.00021000   0.00040482
   0.00580246  -0.00151200   0.00035421  -0.00035890   0.00052217  -0.00047560   0.00084713
   0.01811648  -0.00479430   0.00112743  -0.00111920   0.00171468  -0.00243970   0.00474942
   0.05440537  -0.01462910   0.00343446  -0.00348670   0.00506469  -0.00446160   0.00796079
   0.14492054  -0.04143990   0.00980341  -0.00974050   0.01501684  -0.02177380   0.04310749
   0.31321200  -0.10118870   0.02408671  -0.02459030   0.03577722  -0.03013250   0.05458496
   0.41334250  -0.18447700   0.04527494  -0.04498180   0.07132737  -0.11759120   0.24022746
   0.19059653  -0.12273700   0.03095121  -0.03404100   0.04282415   0.04163135  -0.12945300
   0.00707487   0.27348316  -0.07575180   0.08910950  -0.13355890  -0.03258050  -0.07268480
   0.00484032   0.61530733  -0.22480450   0.22809994  -0.44484980   1.22705040  -2.48764300
  -0.00233010   0.28146024  -0.25485420   0.38525013  -0.52149340  -1.45069000   6.25591490
   0.00153518  -0.00503600   0.20149503  -0.80088860   2.94805910  -1.20188000  -7.65658200
  -0.00086880   0.00796206   0.68310534  -0.99962600  -2.57699600   4.27550510   6.55066430
   0.00040223  -0.00353640   0.30782923   1.19801100  -0.19367300  -4.77835900  -4.06942200
  -0.00011120   0.00100247   0.02408008   0.36451428   1.10610360   2.32923960   1.41810680
    3
 -58.50105000  -4.91069000  -0.39430000
* p-type functions
   12    7
        677.76458000
        164.83442000
         57.68342400
         22.10867400
          8.78775140
          3.55708740
          1.45487800
          0.59893630
          0.24763730
          0.10269950
          0.04268530
          0.01707410
   0.00079717  -0.00013730   0.00015515  -0.00016860   0.00036347  -0.00043170   0.00067609
   0.00589941  -0.00101230   0.00113147  -0.00108570   0.00162437  -0.00447320   0.01117454
   0.02586307  -0.00449520   0.00508163  -0.00558830   0.01256209  -0.01390140   0.02129991
   0.09471373  -0.01657140   0.01841598  -0.01713210   0.02439129  -0.07560680   0.21621748
   0.24484796  -0.04414490   0.05014804  -0.05622460   0.13515491  -0.14837130   0.19271595
   0.39837993  -0.07248030   0.08138367  -0.07224890   0.06998835  -0.38400190   1.02925960
   0.35294610  -0.07465500   0.09799899  -0.16960580   0.56219989   0.12941033  -3.12375500
   0.10280005   0.01880214  -0.01844020   0.10547020  -1.54752200   1.89756400   3.67198180
   0.00234580   0.27739515  -0.62774810   1.09587210   0.33806270  -3.44884200  -3.12953300
   0.00175805   0.44207475  -0.24598520  -0.80230420   1.69032720   3.60864840   2.27133160
  -0.00053410   0.29055057   0.35129892  -0.92384590  -2.21506500  -2.57498700  -1.30701200
   0.00019528   0.16625332   0.65543563   1.16081480   1.10120160   1.00630490   0.44894708
    2
  -3.21834000  -0.21002000
* d-type functions
    5    5
          1.26731440
          0.50951300
          0.20484530
          0.08235630
          0.03294250
   0.01856849  -0.00676530   0.15132202  -0.08397900   1.62204070
   0.11745821   0.20578256  -0.90596570   1.50881840  -1.73218400
   0.50149748   0.54053298  -0.04591540  -2.32915600   1.16983840
   0.37968233  -0.08920980   1.26723600   1.96656180  -0.69281310
   0.20021391  -0.87110670  -0.98171750  -0.89382780   0.27084658
    0
* f-type functions
    4    4
          0.56231110
          0.27076610
          0.13038030
          0.05215210
   0.08418120  -0.20789430   0.67102451  -1.66497100
   0.45945383  -0.40496500   0.44008697   2.67798390
   0.38017523  -0.17522960  -1.41625300  -1.96979900
   0.29286740   0.97536728   0.84507591   0.67657802
    0

/Si.ANO-L.Widmark.17s12p5d4f.7s7p5d4f.
P.-O. Widmark, B.J. Persson, B.O. Roos. Theor. Chim. Acta 79 (1991) 419-432. doi:10.1007/bf01112569
SILICON (17s,12p,5d,4f) -> [7s,7p,5d,4f]
************************************************************************
* Si Silicon atom                                                      *
* Basic primitive: 16s,11p - SCF optimized                             *
*                  4d,3f   - SDCI optimized                            *
* Augmented: 1s with exponent 0.40x lowest exponent                    *
*            1p with exponent 0.40x lowest exponent                    *
*            1d with exponent 0.40x lowest exponent                    *
*            1f with exponent 0.40x lowest exponent                    *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              Si    0.000  SDCI  1.000                                *
*              Si    0.050  SDCI  1.000                                *
*              Si+   0.000  SDCI  1.000                                *
*              Si-   0.000  SDCI  1.000                                *
*                                                                      *
* Contraction range: 4s3p2d1f - 7s6p4f3d                               *
************************************************************************
Options
OrbitalEnergies
EndOptions
    14.0   3
* s-type functions
   17    7
     250095.97000000
      35803.20000000
      10522.48300000
       3701.77450000
       1399.39330000
        548.38895000
        219.36269000
         88.88225900
         36.32337700
         14.93346300
          6.16634850
          2.55455650
          1.06095070
          0.44150240
          0.18401680
          0.07679620
          0.03071850
   0.00006815  -0.00001820   0.00000470  -0.00000490   0.00000688  -0.00000870   0.00001467
   0.00048017  -0.00012780   0.00003305  -0.00003480   0.00004735  -0.00005180   0.00008792
   0.00159626  -0.00042650   0.00011064  -0.00011490   0.00016522  -0.00023760   0.00039439
   0.00547507  -0.00146180   0.00037778  -0.00040070   0.00053088  -0.00049020   0.00084912
   0.01693706  -0.00458450   0.00119120  -0.00123290   0.00179852  -0.00273600   0.00453107
   0.05041784  -0.01387010   0.00359228  -0.00382010   0.00503523  -0.00444650   0.00780858
   0.13450267  -0.03917820   0.01024273  -0.01061380   0.01559960  -0.02415990   0.04050608
   0.29476401  -0.09635060   0.02530364  -0.02708780   0.03568620  -0.03015270   0.05497664
   0.41279726  -0.18176200   0.04932521  -0.05122020   0.07863781  -0.13753650   0.23649293
   0.21885760  -0.14523390   0.04049616  -0.04663010   0.04948931   0.04506541  -0.08216140
   0.01352631   0.22989807  -0.06985640   0.09190140  -0.11137450  -0.07232060  -0.12050610
   0.00478761   0.62379847  -0.25411200   0.26901327  -0.55229290   1.49441380  -2.46831400
  -0.00235090   0.31543582  -0.28611330   0.46077703  -0.38840900  -2.00225000   6.33364940
   0.00157700  -0.00276260   0.24639415  -1.05620100   2.95347820  -0.52493620  -7.99430000
  -0.00091180   0.00903722   0.68019181  -0.78471120  -2.85560200   3.77092740   7.07807010
   0.00041644  -0.00390620   0.28966706   1.20426300   0.09215286  -4.55747700  -4.50327700
  -0.00011400   0.00111144   0.02414823   0.29679859   1.03482600   2.28671740   1.58585880
    3
 -68.81239000  -6.15647000  -0.53978000
* p-type functions
   12    7
        843.53382000
        204.90726000
         72.24878700
         27.96136500
         11.23228200
          4.59693730
          1.90148330
          0.79178280
          0.33116620
          0.13894230
          0.05842570
          0.02337030
   0.00074369  -0.00015740   0.00016602  -0.00019250   0.00040030  -0.00045880   0.00054652
   0.00552015  -0.00116560   0.00119789  -0.00115190   0.00205111  -0.00502270   0.01099526
   0.02411287  -0.00515290   0.00545750  -0.00647660   0.01387012  -0.01479470   0.01648918
   0.08883573  -0.01917230   0.01962832  -0.01827540   0.03298719  -0.08879100   0.21017498
   0.23494251  -0.05231320   0.05586579  -0.06800600   0.15230781  -0.16347050   0.16654499
   0.39732250  -0.09000870   0.09197956  -0.07758320   0.11866287  -0.45182470   1.05146060
   0.36181185  -0.09250120   0.11503921  -0.21432990   0.47363973   0.42946735  -3.23920600
   0.10524773   0.03870909  -0.06483660   0.25572048  -1.68302500   1.46902900   4.02738880
   0.00256555   0.34152769  -0.68318220   1.07773340   0.83716261  -3.21265900  -3.58768300
   0.00177329   0.46110561  -0.16360950  -1.24468400   1.19892260   3.65619450   2.66888720
  -0.00045410   0.25855921   0.61750164  -0.38355030  -2.07338700  -2.77294800  -1.56062100
   0.00017881   0.07566560   0.44097775   1.02251980   1.18870140   1.15514060   0.54672573
    2
  -4.25598000  -0.29703000
* d-type functions
    5    5
          2.01053330
          0.79109810
          0.31127870
          0.12248090
          0.04899240
   0.02221051  -0.00195270   0.13166768  -0.24950030   1.56076170
   0.10356980   0.15356092  -0.66150530   1.72599920  -1.46702500
   0.50813164   0.48959332  -0.45910920  -2.27869100   0.86476809
   0.35117535   0.11387560   1.54430360   1.72962730  -0.48261580
   0.25071127  -0.98489900  -0.99944500  -0.72840530   0.18271776
    0
* f-type functions
    4    4
          0.71849250
          0.34744460
          0.16801530
          0.06720610
   0.11009981  -0.17967440   0.65203766  -1.68881400
   0.46295659  -0.23375030   0.54564006   2.70920350
   0.32345259  -0.47263890  -1.44090400  -1.93614100
   0.34355047   1.10869610   0.69765331   0.61795755
    0

/P.ANO-L.Widmark.17s12p5d4f.7s7p5d4f.
P.-O. Widmark, B.J. Persson, B.O. Roos. Theor. Chim. Acta 79 (1991) 419-432. doi:10.1007/bf01112569
PHOSPHORUS (17s,12p,5d,4f) -> [7s,7p,5d,4f]
************************************************************************
* P Phosphorus atom                                                    *
* Basic primitive: 16s,11p - SCF optimized                             *
*                  4d,3f   - SDCI optimized                            *
* Augmented: 1s with exponent 0.40x lowest exponent                    *
*            1p with exponent 0.40x lowest exponent                    *
*            1d with exponent 0.40x lowest exponent                    *
*            1f with exponent 0.40x lowest exponent                    *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              P     0.000  SCF   1.000                                *
*              P     0.050  SCF   1.000                                *
*              P+    0.000  SCF   1.000                                *
*              P-    0.000  SCF   1.000                                *
*                                                                      *
* Contraction range: 4s3p2d1f - 7s6p4f3d                               *
************************************************************************
Options
OrbitalEnergies
EndOptions
    15.0   3
* s-type functions
   17    7
     296647.55000000
      42380.03000000
      12503.85600000
       4422.49370000
       1681.84780000
        663.21490000
        267.00585000
        108.89592000
         44.79731400
         18.54031200
          7.70709950
          3.21437500
          1.34401270
          0.56308700
          0.23628700
          0.09928110
          0.03971240
   0.00006562  -0.00001780   0.00000495  -0.00000380   0.00000594  -0.00000860   0.00001571
   0.00046254  -0.00012560   0.00003483  -0.00002680   0.00004144  -0.00005490   0.00009079
   0.00152412  -0.00041530   0.00011560  -0.00008660   0.00013959  -0.00021710   0.00043093
   0.00518926  -0.00141400   0.00039175  -0.00030500   0.00046280  -0.00056060   0.00081581
   0.01595159  -0.00440030   0.00122727  -0.00091310   0.00148861  -0.00240580   0.00494091
   0.04720087  -0.01323730   0.00367506  -0.00287280   0.00434089  -0.00514180   0.00724838
   0.12619981  -0.03733840   0.01047976  -0.00779880   0.01277688  -0.02090760   0.04374242
   0.27982529  -0.09244400   0.02602575  -0.02049300   0.03096216  -0.03617190   0.05082520
   0.41030382  -0.17908160   0.05218594  -0.03865600   0.06543104  -0.11613130   0.26661993
   0.24188220  -0.16174870   0.04842224  -0.04197400   0.05707014  -0.02312510  -0.09548730
   0.02071709   0.19399810  -0.06270700   0.06559604  -0.09386140   0.01864200   0.00792644
   0.00443622   0.62785121  -0.27648210   0.19549449  -0.41005510   1.12156650  -2.94982300
  -0.00216870   0.34320722  -0.31132840   0.38636227  -0.48607910  -0.63232570   6.93926770
   0.00148760  -0.00010200   0.27584791  -0.75348860   1.95041420  -2.92756700  -8.19401700
  -0.00087720   0.00993085   0.67745539  -0.54814350  -0.29309150   5.81150950   6.62639670
   0.00039698  -0.00418080   0.28560830   0.26985002  -2.30754900  -5.02116300  -3.71571200
  -0.00010790   0.00119275   0.01675006   0.97010724   1.77847660   1.92707230   1.11800210
    3
 -79.96965000  -7.51102000  -0.69636000
* p-type functions
   12    7
       1018.41220000
        247.39820000
         87.79048200
         34.24860000
         13.87701400
          5.73030980
          2.39200680
          1.00527670
          0.42439290
          0.17973060
          0.07629100
          0.03051640
   0.00071159  -0.00016880   0.00015264  -0.00022110   0.00040331  -0.00043770   0.00049642
   0.00528387  -0.00125010   0.00110387  -0.00137890   0.00219003  -0.00500810   0.01104275
   0.02297828  -0.00550960   0.00500340  -0.00741670   0.01392847  -0.01394030   0.01437552
   0.08494327  -0.02057220   0.01814153  -0.02236340   0.03590870  -0.08902330   0.21042100
   0.22803285  -0.05717830   0.05241729  -0.07944690   0.15612489  -0.16059800   0.16311122
   0.39658377  -0.10153640   0.08911554  -0.10183150   0.14452546  -0.47248640   1.07269750
   0.36766734  -0.10487000   0.10677427  -0.22045860   0.41344622   0.48623525  -3.33160900
   0.10640781   0.05753445  -0.07211440   0.35066535  -1.65083300   1.42892130   4.21713180
   0.00281028   0.37524649  -0.60909640   0.97783112   0.86123612  -3.29881000  -3.78581700
   0.00165268   0.45668244  -0.16157330  -1.12189900   1.21750160   3.79806950   2.79626610
  -0.00040110   0.22572156   0.54191860  -0.50591410  -2.11577900  -2.82478400  -1.59985900
   0.00016315   0.06188888   0.53980064   1.02634120   1.19234360   1.12984430   0.54222008
    2
  -5.40088000  -0.39161000
* d-type functions
    5    5
          2.72018530
          1.07222220
          0.42264050
          0.16659330
          0.06663730
   0.02567866  -0.01281640   0.14954306  -0.28714230   1.55618540
   0.12037513   0.17873934  -0.66586430   1.76646930  -1.42660200
   0.55955359   0.50423470  -0.40061210  -2.30251100   0.82004962
   0.37100935  -0.11770020   1.53419160   1.74741070  -0.46362830
   0.12126366  -0.88859820  -1.09500900  -0.75054960   0.17934384
    0
* f-type functions
    4    4
          0.89440190
          0.44087230
          0.21731660
          0.08692660
   0.17144038  -0.37580420   0.76409816  -1.67483900
   0.50049572  -0.39497070   0.06209552   2.88288710
   0.37145759   0.26674267  -1.23721900  -2.20408300
   0.13902900   0.76247795   1.01230050   0.78879686
    0

/S.ANO-L.Widmark.17s12p5d4f.7s7p5d4f.
P.-O. Widmark, B.J. Persson, B.O. Roos. Theor. Chim. Acta 79 (1991) 419-432. doi:10.1007/bf01112569
SULFUR (17s,12p,5d,4f) -> [7s,7p,5d,4f]
************************************************************************
* S Sulfur atom                                                        *
* Basic primitive: 16s,11p - SCF optimized                             *
*                  4d,3f   - SDCI optimized                            *
* Augmented: 1s with exponent 0.40x lowest exponent                    *
*            1p with exponent 0.40x lowest exponent                    *
*            1d with exponent 0.40x lowest exponent                    *
*            1f with exponent 0.40x lowest exponent                    *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              S     0.000  SCF   1.000                                *
*              S     0.050  SCF   1.000                                *
*              S+    0.000  SCF   1.000                                *
*              S-    0.000  SCF   1.000                                *
*                                                                      *
* Contraction range: 4s3p2d1f - 7s6p4f3d                               *
************************************************************************
Options
OrbitalEnergies
EndOptions
    16.0   3
* s-type functions
   17    7
     346348.23000000
      49391.14600000
      14610.99000000
       5187.20950000
       1980.96760000
        784.63139000
        317.32779000
        130.01976000
         53.73820800
         22.34589600
          9.33325120
          3.91118680
          1.64320660
          0.69174560
          0.29167360
          0.12314410
          0.04925760
   0.00006370  -0.00001760   0.00000516  -0.00000380   0.00000585  -0.00000910   0.00001567
   0.00044935  -0.00012410   0.00003629  -0.00002730   0.00004096  -0.00005710   0.00009351
   0.00147142  -0.00040760   0.00011970  -0.00008760   0.00013668  -0.00023300   0.00041879
   0.00498429  -0.00138200   0.00040336  -0.00030730   0.00045296  -0.00056250   0.00086323
   0.01525241  -0.00427630   0.00125841  -0.00091510   0.00144216  -0.00257760   0.00472419
   0.04494424  -0.01281620   0.00374805  -0.00286710   0.00420970  -0.00506850   0.00767113
   0.12035338  -0.03610970   0.01069509  -0.00777990   0.01231522  -0.02231470   0.04154294
   0.26908335  -0.08987260   0.02665475  -0.02053900   0.03016574  -0.03570240   0.05501805
   0.40722490  -0.17728880   0.05454724  -0.03956760   0.06449660  -0.12800240   0.25682345
   0.25831856  -0.17312010   0.05462756  -0.04600480   0.06268013  -0.02145890  -0.04049780
   0.02714669   0.16887115  -0.05692420   0.06098330  -0.08761680  -0.01890560  -0.07151540
   0.00400872   0.63115534  -0.29658550   0.20575809  -0.39434690   1.29060600  -2.89729900
  -0.00192710   0.36103178  -0.32932730   0.40570893  -0.55180690  -0.88556930   6.96504220
   0.00134644   0.00184135   0.30470795  -0.81899290   1.99993610  -2.71487600  -8.36303500
  -0.00081150   0.01069710   0.67383630  -0.44471340  -0.27829840   5.68938710   6.88784170
   0.00036382  -0.00432300   0.27748421   0.18735812  -2.35282500  -4.92890200  -3.91765200
  -0.00009870   0.00124248   0.01304772   1.00722580   1.79232710   1.86654110   1.18595670
    3
 -92.00447000  -9.00431000  -0.87955000
* p-type functions
   12    7
       1129.12690000
        274.03515000
         97.40258400
         38.08551800
         15.47103300
          6.40565900
          2.68128280
          1.13000500
          0.47839950
          0.20318050
          0.08649230
          0.03459690
   0.00077145  -0.00019700   0.00018333  -0.00028000   0.00043230  -0.00040910   0.00057233
   0.00572945  -0.00146240   0.00130515  -0.00172590   0.00288638  -0.00611340   0.01014019
   0.02477182  -0.00640040   0.00600239  -0.00940080   0.01459323  -0.01219020   0.01747887
   0.09109122  -0.02387630   0.02129088  -0.02797840   0.04821802  -0.10933800   0.19345732
   0.24064577  -0.06532010   0.06221627  -0.10067960   0.16282315  -0.14017870   0.19565545
   0.40976882  -0.11476930   0.09978781  -0.11767160   0.20594756  -0.58292900   0.89486819
   0.35226804  -0.10657020   0.11944864  -0.25665430   0.24014052   1.03783980  -3.14411700
   0.08382797   0.11048130  -0.15959890   0.68243796  -1.82669700   0.43994605   4.29246670
   0.00271787   0.41795827  -0.67011450   0.66515564   1.80214550  -2.44344900  -4.15673900
   0.00078655   0.42517813   0.01331064  -1.44513800   0.02939534   3.49472920   3.31720910
   0.00011535   0.19228231   0.64871747   0.12745221  -1.46966500  -2.98555000  -2.04675000
   0.00003404   0.04207771   0.37095119   0.77294449   1.12615110   1.33633110   0.74630740
    2
  -6.68253000  -0.43737000
* d-type functions
    5    5
          3.00536790
          1.21729760
          0.49305560
          0.19970780
          0.07988310
   0.03293922  -0.03191870   0.15012046  -0.17981640   1.63054750
   0.16386221   0.29392107  -0.82383320   1.65217290  -1.68572900
   0.58677406   0.46210890  -0.04964110  -2.42882600   1.06894620
   0.31916052  -0.32360540   1.32176930   1.97796120  -0.61136780
   0.08508563  -0.75561170  -1.11803800  -0.87707880   0.22739086
    0
* f-type functions
    4    4
          1.10009880
          0.52721330
          0.25266270
          0.10106510
   0.20845644  -0.59442000   0.91250849  -1.41070100
   0.55071337  -0.33649890  -0.67107040   2.58721730
   0.33354097   0.71034940  -0.52854720  -2.25081700
   0.06724721   0.35946202   1.00919900   1.02436060
    0

/Cl.ANO-L.Widmark.17s12p5d4f.7s7p5d4f.
P.-O. Widmark, B.J. Persson, B.O. Roos. Theor. Chim. Acta 79 (1991) 419-432. doi:10.1007/bf01112569
CHLORINE (17s,12p,5d,4f) -> [7s,7p,5d,4f]
************************************************************************
* Cl Chlorine atom                                                     *
* Basic primitive: 16s,11p - SCF optimized                             *
*                  4d,3f   - SDCI optimized                            *
* Augmented: 1s with exponent 0.40x lowest exponent                    *
*            1p with exponent 0.40x lowest exponent                    *
*            1d with exponent 0.40x lowest exponent                    *
*            1f with exponent 0.40x lowest exponent                    *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              Cl    0.000  SDCI  1.000                                *
*              Cl    0.050  SDCI  1.000                                *
*              Cl+   0.000  SDCI  1.000                                *
*              Cl-   0.000  SDCI  1.000                                *
*                                                                      *
* Contraction range: 4s3p2d1f - 7s6p4f3d                               *
************************************************************************
Options
OrbitalEnergies
EndOptions
    17.0   3
* s-type functions
   17    7
     399432.47000000
      56908.83300000
      16874.76900000
       6010.02780000
       2303.28300000
        915.65994000
        371.72009000
        152.89109000
         63.43630300
         26.48172300
         11.10411200
          4.67162890
          1.97045200
          0.83279460
          0.35254090
          0.14943410
          0.05977360
   0.00006215  -0.00001740   0.00000531  -0.00000470   0.00000595  -0.00000920   0.00001551
   0.00043838  -0.00012290   0.00003739  -0.00003370   0.00004122  -0.00005590   0.00009533
   0.00142781  -0.00040130   0.00012271  -0.00010830   0.00013955  -0.00024330   0.00040362
   0.00481620  -0.00135560   0.00041159  -0.00037410   0.00044686  -0.00051850   0.00090407
   0.01468157  -0.00417440   0.00127960  -0.00112330   0.00146844  -0.00270980   0.00447787
   0.04311398  -0.01247260   0.00379416  -0.00346090   0.00411004  -0.00455620   0.00805528
   0.11558388  -0.03510470   0.01083171  -0.00951860   0.01251189  -0.02342010   0.03915746
   0.26016348  -0.08775020   0.02707379  -0.02486630   0.02954625  -0.03194480   0.05872894
   0.40382380  -0.17564250   0.05631797  -0.04964540   0.06763368  -0.13915220   0.24500845
   0.27179877  -0.18206990   0.05980454  -0.05901320   0.06396442  -0.00532620   0.01008609
   0.03338125   0.14753370  -0.05113350   0.06729192  -0.07622940  -0.08114670  -0.15107270
   0.00356211   0.63295111  -0.31267210   0.26850578  -0.44555880   1.49579950  -2.80641100
  -0.00165600   0.37614178  -0.34374380   0.51536265  -0.53191500  -1.37186000   6.92800660
   0.00117962   0.00380802   0.32577967  -1.11610500   2.38922930  -2.02018700  -8.50677000
  -0.00073110   0.01133746   0.66892575  -0.52914520  -1.29926400   5.24741420   7.21577220
   0.00032425  -0.00444450   0.27170146   0.76655700  -1.50478700  -4.98513400  -4.24980500
  -0.00008790   0.00129047   0.01386816   0.59696595   1.65737770   2.06108180   1.33800720
    3
 -10.488469e1 -10.60777000  -1.07311000
* p-type functions
   12    7
       1288.97160000
        312.24430000
        111.34634000
         43.73608700
         17.85652400
          7.43276590
          3.12825380
          1.32572140
          0.56441910
          0.24107410
          0.10320890
          0.04128360
   0.00078181  -0.00021070   0.00020575  -0.00031720   0.00045514  -0.00037840   0.00059932
   0.00581729  -0.00157040   0.00146090  -0.00194620   0.00362539  -0.00693060   0.00926810
   0.02503057  -0.00683040   0.00673436  -0.01067180   0.01501985  -0.01054140   0.01878480
   0.09188004  -0.02552010   0.02376316  -0.03157490   0.06149816  -0.12552720   0.17836417
   0.24258072  -0.06974890   0.07010553  -0.11574860   0.16963861  -0.12514770   0.21862785
   0.41394424  -0.12387560   0.11161894  -0.12908650   0.28532032  -0.67005120   0.75606057
   0.34789086  -0.10851620   0.12978530  -0.27649330   0.03758123   1.49603260  -2.95415400
   0.07717314   0.13894281  -0.23354130   0.89183689  -1.85478400  -0.48686740   4.28191540
   0.00312835   0.42954359  -0.67189630   0.41342424   2.43376840  -1.46926900  -4.41464700
   0.00050049   0.40829131   0.10952051  -1.53837700  -0.94026680   2.93798770   3.76968300
   0.00034786   0.18156256   0.66424757   0.46781029  -0.77329620  -2.92742200  -2.48780400
  -0.00002380   0.03396053   0.30179468   0.59904463   0.92109142   1.45981290   0.96877907
    2
  -8.07252000  -0.50652000
* d-type functions
    5    5
          3.62045610
          1.47757170
          0.60302300
          0.24610430
          0.09844170
   0.03682298  -0.04843800   0.16746529  -0.11467500   1.65179200
   0.17638808   0.39297464  -0.94489600   1.53426440  -1.77631900
   0.59139283   0.47951806   0.27892621  -2.41646900   1.17781910
   0.30996037  -0.56212450   1.04819660   2.09367180  -0.69871170
   0.06672018  -0.56257760  -1.12710900  -1.00008600   0.26925521
    0
* f-type functions
    4    4
          1.35689640
          0.66136460
          0.32235560
          0.12894220
   0.22438063  -0.68736230   1.28941020  -1.10943500
   0.56956395  -0.26104400  -1.57893400   2.31158790
   0.30148671   0.82343588   0.36185604  -2.33025300
   0.04940109   0.21671325   0.64784529   1.32650300
    0

/Ar.ANO-L.Widmark.17s12p5d4f.7s7p5d4f.
P.-O. Widmark, B.J. Persson, B.O. Roos. Theor. Chim. Acta 79 (1991) 419-432. doi:10.1007/bf01112569
ARGON (17s,12p,5d,4f) -> [7s,7p,5d,4f]
************************************************************************
* Ar Argon atomm                                                       *
* Basic primitive: 16s,11p - SCF optimized                             *
*                  4d,3f   - SDCI optimized                            *
* Augmented: 1s with exponent 0.40x lowest exponent                    *
*            1p with exponent 0.40x lowest exponent                    *
*            1d with exponent 0.40x lowest exponent                    *
*            1f with exponent 0.40x lowest exponent                    *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              Ar    0.000  SDCI  1.000                                *
*              Ar    0.050  SDCI  1.000                                *
*                                                                      *
* Contraction range: 4s3p2d1f - 7s6p4f3d                               *
************************************************************************
Options
OrbitalEnergies
EndOptions
    18.0   3
* s-type functions
   17    7
     455476.77000000
      64817.74300000
      19256.98700000
       6877.00730000
       2643.48770000
       1054.23750000
        429.37122000
        177.18859000
         73.76394500
         30.89700700
         12.99948200
          5.48767930
          2.32257160
          0.98498070
          0.41839730
          0.17795940
          0.07118380
   0.00006096  -0.00001730   0.00000544  -0.00000530   0.00000579  -0.00001010   0.00001574
   0.00043020  -0.00012220   0.00003829  -0.00003750   0.00003978  -0.00005880   0.00010504
   0.00139466  -0.00039690   0.00012513  -0.00012020   0.00013641  -0.00027260   0.00038069
   0.00468779  -0.00133670   0.00041795  -0.00041340   0.00042380  -0.00051080   0.00108896
   0.01424066  -0.00409860   0.00129572  -0.00123820   0.00143205  -0.00305700   0.00405999
   0.04169365  -0.01221340   0.00382578  -0.00379760   0.00386068  -0.00436370   0.00992588
   0.11183053  -0.03433220   0.01092652  -0.01045540   0.01216691  -0.02637120   0.03532764
   0.25298878  -0.08610070   0.02735689  -0.02735260   0.02778303  -0.03036920   0.07413651
   0.40044790  -0.17427680   0.05765806  -0.05546770   0.06724781  -0.16095030   0.22171966
   0.28245090  -0.18902660   0.06394978  -0.06865230   0.06200867   0.01248080   0.11793481
   0.03906305   0.13009718  -0.04572820   0.07055596  -0.06041520  -0.15431860  -0.45615300
   0.00314565   0.63399171  -0.32577250   0.30115546  -0.46387010   1.83591150  -2.31470800
  -0.00139160   0.38815020  -0.35331040   0.61789886  -0.49311320  -2.05303400   6.49022800
   0.00101034   0.00573222   0.33817566  -1.43377400   2.41394970  -1.20832800  -8.42960800
  -0.00064850   0.01193554   0.66223091  -0.27094710  -1.53597500   4.63521250   7.50750920
   0.00028402  -0.00449410   0.27636906   0.77596409  -1.27729400  -4.69611700  -4.59664500
  -0.00007710   0.00131952   0.00949692   0.50334371   1.63788950   1.98829450   1.48244850
    3
 -11.861039e1 -12.32219000  -1.27735000
* p-type functions
   12    7
       1462.49620000
        354.06731000
        126.69779000
         49.98909500
         20.50929500
          8.58046410
          3.63010490
          1.54652800
          0.66193690
          0.28424280
          0.12234630
          0.04893850
   0.00078756  -0.00022120   0.00029752  -0.00045430   0.00038932  -0.00041870   0.00063114
   0.00586048  -0.00165140   0.00201545  -0.00318150   0.00580901  -0.00837690   0.00563077
   0.02510137  -0.00713990   0.00979652  -0.01511580   0.01133247  -0.01151850   0.02205071
   0.09200774  -0.02671710   0.03265686  -0.05279920   0.10360929  -0.15672190   0.11358456
   0.24317197  -0.07307220   0.10366041  -0.17027200   0.13463887  -0.14161720   0.26047038
   0.41674542  -0.13132950   0.14799999  -0.23127500   0.54075660  -0.77329530   0.29282594
   0.34542045  -0.10964210   0.20744830  -0.20352810  -0.95625510   2.42029780  -1.97021100
   0.07305360   0.16048636  -0.50796850   1.74529250  -0.50691800  -2.74313900   3.41933550
   0.00294397   0.43595556  -0.80424020  -1.39630300   2.32780040   1.66166950  -4.20791900
  -0.00023940   0.40458441   0.69669502  -0.47271850  -2.63217100   0.06039893   4.34234860
   0.00028995   0.17125106   0.46331690   0.89125570   1.09251950  -1.40583900  -3.46060600
  -0.00009340   0.01351308   0.04908714   0.06889766   0.35266723   1.26336220   1.62340430
    2
  -9.57150000  -0.59102000
* d-type functions
    5    5
          4.32884170
          1.77423020
          0.72719060
          0.29804820
          0.11921930
   0.04003444  -0.05753400   0.16735357  -0.08450080   1.66339150
   0.18334334   0.42320227  -0.96674040   1.49505190  -1.82672600
   0.59072873   0.45075094   0.33376377  -2.41813500   1.24049580
   0.30437283  -0.56963190   1.00414720   2.11732880  -0.74639420
   0.06258812  -0.55102580  -1.11944400  -1.01498400   0.28569442
    0
* f-type functions
    4    4
          1.63117400
          0.82032880
          0.41254910
          0.16501960
   0.23597497  -0.76592680   1.47389380  -1.01402600
   0.57618801  -0.17377420  -2.04879200   2.26877600
   0.27800823   0.84810472   0.80520996  -2.38347900
   0.04019225   0.16638315   0.46484375   1.42751160
    0

/Sc.ANO-L.Pou-Amerigo.21s15p10d6f4g.8s7p6d5f4g.
R. Pou-Amerigo, M. Merchan, I. Nebot-Gil, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 92 (1995) 149-181. doi:10.1007/bf01114922
SCANDIUM (21s,15p,10d,6f,4g) -> [8s,7p,6d,5f,4g]
************************************************************************
* Sc Scandium atom                                                     *
* Basic primitive: 20s12p9d from                                       *
*                  H. Partridge, J. Chem. Phys., 90, 1043 (1989)       *
* Augmented: 1s even-tempered continuation with beta=0.4               *
*            3p even-tempered continuation with beta=0.4               *
*            1d even-tempered continuation with beta=0.4               *
*            6f 5 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*            4g 3 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*                                                                      *
* Contraction:   State      Field  Method  Weight                      *
*              Sc 2D(ds2)   0.000   MCPF    0.200                      *
*              Sc 2D(ds2)   0.010   MCPF    0.200                      *
*              Sc 4F(d2s)   0.000   MCPF    0.200                      *
*              Sc 2D(d3)    0.000   MCPF    0.200                      *
*              Sc+ 3D(ds)   0.000   MCPF    0.200                      *
*                                                                      *
* Contraction range: 5s3p2d   - 6s5p4d3f2g for SCF                     *
*                    5s4p3d2f - 8s7p6d5f4g for correlation             *
************************************************************************
Options
OrbitalEnergies
EndOptions
    21.0   4
* s-type functions
   21    8
    2715278.00000000
     406598.40000000
      92530.04000000
      26207.92000000
       8549.42900000
       3085.97500000
       1203.17200000
        498.48690000
        216.73600000
         97.87476000
         45.20433000
         20.21187000
          9.57475100
          4.54034600
          1.99568700
          0.94221500
          0.41784500
          0.09576100
          0.05135100
          0.02387800
          0.00955100
   0.00000904  -0.00000260   0.00000093  -0.00000020   0.00000033  -0.00000050   0.00000060  -0.00000010
   0.00007025  -0.00002060   0.00000725  -0.00000180   0.00000259  -0.00000380   0.00000508  -0.00000060
   0.00036936  -0.00010830   0.00003813  -0.00000940   0.00001336  -0.00001890   0.00002328  -0.00000320
   0.00155734  -0.00045720   0.00016110  -0.00003970   0.00005779  -0.00008580   0.00011736  -0.00001470
   0.00563817  -0.00166130   0.00058525  -0.00014420   0.00020373  -0.00028470   0.00033930  -0.00004710
   0.01806446  -0.00537480   0.00189710  -0.00046690   0.00068535  -0.00103110   0.00144768  -0.00017810
   0.05144548  -0.01567320   0.00554026  -0.00136660   0.00191409  -0.00262930   0.00299552  -0.00042980
   0.12707079  -0.04083870   0.01453926  -0.00358060   0.00531269  -0.00814650   0.01185638  -0.00142260
   0.25490555  -0.09186680   0.03306537  -0.00818040   0.01128466  -0.01500180   0.01553214  -0.00240110
   0.36017448  -0.16483380   0.06115124  -0.01512000   0.02309854  -0.03719520   0.05878879  -0.00667270
   0.26994142  -0.18091270   0.07020757  -0.01759940   0.02223441  -0.02357950   0.00528309  -0.00314330
   0.06163753   0.05165397  -0.02111350   0.00550800   0.00012429  -0.02279820   0.09434564  -0.00609790
  -0.00137010   0.50474999  -0.27065280   0.07005315  -0.12218900   0.23648629  -0.46579960   0.04625288
   0.00205343   0.50458120  -0.44054920   0.12312721  -0.14779690   0.13085046   0.10415482   0.01739344
  -0.00095410   0.09393705   0.06285392  -0.02804590  -0.03470180   0.23841114  -0.88418510   0.04824636
   0.00043552  -0.00297080   0.71691262  -0.24417280   0.64622191  -1.77116600   4.00662690  -0.40686840
  -0.00018700   0.00248254   0.44287952  -0.32519970   0.15556924   1.29776820  -4.97894900   0.46797935
   0.00009671  -0.00080170   0.02330734   0.35832951  -2.27616700   3.27082980   7.87419890   0.69915480
  -0.00009370   0.00076538  -0.01372210   0.60752195   1.15412310  -6.65044700  -9.85628200  -3.30406900
   0.00004126  -0.00033710   0.00463010   0.20971754   0.73089925   4.26392470   5.32791980   4.81968330
  -0.00000960   0.00007798  -0.00096690   0.00735932   0.10275994  -0.71246510  -1.36913800  -2.85896200
    4
 -16.575811e1 -18.91665000  -2.41325000  -0.19537000
* p-type functions
   15    7
       4609.88500000
       1092.15600000
        354.33680000
        134.80760000
         56.60258000
         25.33410000
         11.74033000
          5.56925900
          2.59495800
          1.19635100
          0.53505900
          0.22077600
          0.08831000
          0.03532400
          0.01413000
   0.00019182  -0.00006450   0.00001892  -0.00002410   0.00003139  -0.00000370   0.00006720
   0.00168006  -0.00056470   0.00016799  -0.00021600   0.00028193  -0.00009380   0.00033047
   0.00927532  -0.00314160   0.00092264  -0.00117490   0.00153073  -0.00018100   0.00327359
   0.03752902  -0.01284830   0.00382999  -0.00492860   0.00643366  -0.00216920   0.00731896
   0.11490240  -0.04053780   0.01193472  -0.01520350   0.01981904  -0.00187070   0.04399471
   0.25439248  -0.09287680   0.02796506  -0.03616710   0.04726485  -0.01843640   0.04132905
   0.37991661  -0.14765040   0.04354371  -0.05550180   0.07284368   0.00517068   0.21606005
   0.30955557  -0.11280680   0.03528510  -0.04666140   0.06440105  -0.07381960  -0.04754280
   0.08713977   0.15761618  -0.06168620   0.08722143  -0.11917420   0.14285677   0.23806451
   0.00256096   0.47136955  -0.15801900   0.22269449  -0.38254400  -0.09680990  -2.55856900
   0.00122683   0.43009952  -0.22299720   0.36197365  -0.39389800   0.45403423   4.31709930
  -0.00047590   0.10180833   0.15843483  -0.88835790   2.19800400  -1.45299000  -3.68183000
   0.00022635  -0.00184220   0.70244749  -0.40959980  -2.39692000   2.62863880   2.28377620
  -0.00011100   0.00290251   0.28120425   0.91905928   0.89636097  -3.13249300  -1.07370600
   0.00003471  -0.00078270   0.01348198   0.21314873   0.35148686   1.96084820   0.28495095
    2
 -15.50808000  -1.43541000
* d-type functions
   10    6
        110.21970000
         32.80041000
         12.31300000
          5.06381900
          2.22554700
          0.99234300
          0.43636100
          0.18570500
          0.07344100
          0.02937600
   0.00082585  -0.00072360   0.00088824  -0.00079750   0.00131877  -0.00369500
   0.00668105  -0.00582090   0.00727289  -0.00574830   0.01552580  -0.02134390
   0.02815944  -0.02479120   0.03053473  -0.02734940   0.04659408  -0.13480300
   0.08372592  -0.07372960   0.09263052  -0.07108940   0.20849078  -0.28299330
   0.17840105  -0.15786200   0.19890523  -0.19284550   0.28675455  -1.07102300
   0.26729481  -0.22085100   0.26567709  -0.17873910   0.58272511   2.60623010
   0.30373222  -0.20962350   0.09014133  -0.03909720  -2.16466900  -2.43683400
   0.29501849   0.05386544  -0.65848460   1.37404170   2.18450990   1.45019450
   0.19903618   0.43826457  -0.39701430  -1.98588300  -1.25616900  -0.66794290
   0.09880504   0.51004476   0.89538505   1.16147000   0.44271166   0.22240725
    1
  -0.21529000
* f-type functions
    6    5
          2.84150000
          1.12630000
          0.44640000
          0.17690000
          0.07010000
          0.02780000
   0.03457755  -0.09573200   0.13599954  -0.18947700   0.31414809
   0.09785268  -0.21698380   0.33213274  -0.51944710   0.70431127
   0.34953556  -0.57644500   0.49380454   0.66751872  -1.35290100
   0.54494830   0.14682811  -1.24770000   0.04262355   1.41191830
   0.23054038   0.57506501   0.81525437  -0.93623980  -1.28621700
   0.03096216   0.20992137   0.20469111   1.06981160   0.85106694
    0
* g-type functions
    4    4
          1.60710000
          0.63170000
          0.24830000
          0.09760000
  -0.03124780  -0.17126050  -0.45988690  -0.87389880
  -0.19912470  -0.40228810  -0.18438610   1.12606360
  -0.43510610   0.05517028   0.75066198  -0.85961910
  -0.16454480   0.44274085  -0.69961420   0.42599543
    0

/Ti.ANO-L.Pou-Amerigo.21s15p10d6f4g.8s7p6d5f4g.
R. Pou-Amerigo, M. Merchan, I. Nebot-Gil, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 92 (1995) 149-181. doi:10.1007/bf01114922
TITANIUM (21s,15p,10d,6f,4g) -> [8s,7p,6d,5f,4g]
************************************************************************
* Ti Titanium atom                                                     *
* Basic primitive: 20s12p9d from                                       *
*                  H. Partridge, J. Chem. Phys., 90, 1043 (1989)       *
* Augmented: 1s even-tempered continuation with beta=0.4               *
*            3p even-tempered continuation with beta=0.4               *
*            1d even-tempered continuation with beta=0.4               *
*            6f 5 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*            4g 3 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*                                                                      *
* Contraction:   State      Field  Method  Weight                      *
*              Ti 3F(d2s2)  0.000   MCPF    0.200                      *
*              Ti 3F(d2s2)  0.010   MCPF    0.200                      *
*              Ti 5F(d3s)   0.000   MCPF    0.200                      *
*              Ti 5D(d4)    0.000   MCPF    0.200                      *
*              Ti+ 4F(d2s)  0.000   MCPF    0.200                      *
*                                                                      *
* Contraction range: 5s3p2d   - 6s5p4d3f2g for SCF                     *
*                    5s4p3d2f - 8s7p6d5f4g for correlation             *
************************************************************************
Options
OrbitalEnergies
EndOptions
    22.0   4
* s-type functions
   21    8
    3014643.00000000
     451432.90000000
     102733.80000000
      29098.17000000
       9492.33000000
       3426.34600000
       1335.89600000
        553.50260000
        240.69250000
        108.72930000
         50.26457000
         22.58004000
         10.71432000
          5.09354600
          2.24418300
          1.05957000
          0.46884900
          0.10614300
          0.05526200
          0.02546500
          0.01018600
   0.00000891  -0.00000260   0.00000094  -0.00000020   0.00000033  -0.00000070   0.00000070  -0.00000080
   0.00006931  -0.00002050   0.00000732  -0.00000180   0.00000263  -0.00000530   0.00000531  -0.00000530
   0.00036438  -0.00010770   0.00003850  -0.00000950   0.00001351  -0.00002630   0.00002922  -0.00003280
   0.00153639  -0.00045480   0.00016265  -0.00004010   0.00005873  -0.00012000   0.00011605  -0.00011140
   0.00556285  -0.00165290   0.00059092  -0.00014580   0.00020574  -0.00039620   0.00045565  -0.00053040
   0.01782861  -0.00534850   0.00191602  -0.00047270   0.00069769  -0.00144350   0.00134216  -0.00122050
   0.05081175  -0.01560890   0.00559924  -0.00138220   0.00193149  -0.00365790   0.00441363  -0.00535560
   0.12571796  -0.04072220   0.01471713  -0.00363470   0.00543140  -0.01144970   0.01006047  -0.00838210
   0.25299347  -0.09187640   0.03356771  -0.00830710   0.01140247  -0.02093470   0.02766255  -0.03603000
   0.35959434  -0.16550280   0.06237534  -0.01548490   0.02391928  -0.05291360   0.04026955  -0.02489570
   0.27246952  -0.18360090   0.07240544  -0.01810670   0.02240972  -0.03314180   0.07324128  -0.12295430
   0.06359557   0.04772324  -0.01969540   0.00495788   0.00244168  -0.03572990  -0.05679990   0.17036170
  -0.00122450   0.50578507  -0.27814850   0.07274548  -0.12994700   0.34737593  -0.16965990  -0.02547000
   0.00201172   0.50661982  -0.44779230   0.12462260  -0.14412390   0.19621750  -0.76563180   1.42375220
  -0.00093570   0.09464746   0.07571834  -0.03012510  -0.04266210   0.21600547   1.37733270  -3.69996800
   0.00042046  -0.00280280   0.72182448  -0.25472070   0.68771072  -2.54289500   0.71862212   3.42508630
  -0.00017760   0.00244130   0.43305367  -0.31128130   0.08970366   2.53447060  -2.56707700  -1.00954000
   0.00008641  -0.00072980   0.02190391   0.39641780  -2.20071600   0.65481184   5.20872300  -2.39533300
  -0.00008290   0.00069792  -0.01256510   0.58239439   1.16817660  -3.07838800  -5.98295700   5.66622560
   0.00003762  -0.00031470   0.00450143   0.19898058   0.68247571   2.18525880   1.89911920  -5.71171100
  -0.00000900   0.00007494  -0.00096630   0.00465101   0.09670204  -0.12137220   0.47574667   2.69579320
    4
 -18.311076e1 -21.23849000  -2.70022000  -0.20513000
* p-type functions
   15    7
       5181.15700000
       1227.46100000
        398.27120000
        151.58670000
         63.69633000
         28.54733000
         13.26129000
          6.31035200
          2.95187500
          1.36537000
          0.61141500
          0.25254800
          0.10101900
          0.04040800
          0.01616300
   0.00018724  -0.00006430   0.00001778  -0.00002460   0.00003719  -0.00005500   0.00003441
   0.00164139  -0.00056350   0.00015781  -0.00021600   0.00030354  -0.00044230   0.00074567
   0.00908304  -0.00314250   0.00086992  -0.00120360   0.00181821  -0.00268410   0.00167516
   0.03689507  -0.01290430   0.00362099  -0.00495220   0.00694324  -0.01009190   0.01739889
   0.11355987  -0.04095070   0.01136286  -0.01573360   0.02391533  -0.03527760   0.01936750
   0.25317899  -0.09460300   0.02679911  -0.03658610   0.05029716  -0.07263650   0.14811200
   0.38016762  -0.15139560   0.04214155  -0.05944900   0.09593973  -0.14494120  -0.00414360
   0.31019996  -0.11414090   0.03368180  -0.04678460   0.05786017  -0.14247940   0.63592456
   0.08777409   0.16320565  -0.05898500   0.07944795  -0.08846610   0.31125939  -1.91295700
   0.00294909   0.47321733  -0.15122720   0.27628381  -0.65664460   1.43894680   1.31107870
   0.00131937   0.42451323  -0.20347950   0.27142188   0.11031284  -2.78088700   0.71779745
  -0.00042150   0.10183772   0.11806167  -0.79246970   1.61485710   1.85240650  -2.24014800
   0.00021981  -0.00167870   0.69383947  -0.46317480  -1.74849600  -0.07210230   2.90907530
  -0.00010630   0.00283921   0.31458515   0.84321160   0.31630342  -1.14942500  -2.70645000
   0.00003319  -0.00076640   0.01638688   0.29045090   0.63388041   0.97774753   1.42394160
    2
 -17.61065000  -1.63709000
* d-type functions
   10    6
        134.35650000
         40.04189000
         15.12976000
          6.27699000
          2.78141000
          1.25360200
          0.55740500
          0.23975900
          0.09528700
          0.03811500
   0.00082946  -0.00066820   0.00107015  -0.00145030   0.00228582  -0.00312940
   0.00686716  -0.00549600   0.00903555  -0.01239650   0.01652191  -0.02947250
   0.02978288  -0.02413250   0.03925759  -0.05422370   0.08713506  -0.13216440
   0.08973599  -0.07293950   0.12440155  -0.17800620   0.25177544  -0.53635380
   0.19339831  -0.15795350   0.25010252  -0.33545420   0.54086998  -0.22595440
   0.28934684  -0.21643350   0.28000335  -0.18766830  -0.64286510   1.99762740
   0.31794406  -0.18224060  -0.08899850   0.78380039  -0.80912680  -2.72669200
   0.27588611   0.12624548  -0.62602520   0.22363428   1.85337250   2.16382570
   0.15938332   0.44805135  -0.24875410  -1.28760100  -1.65105200  -1.24025100
   0.07054351   0.48413331   0.81573964   0.96413095   0.76643894   0.47141590
    1
  -0.27342000
* f-type functions
    6    5
          4.24640000
          1.68310000
          0.66710000
          0.26440000
          0.10480000
          0.04150000
   0.03908396  -0.12201770   0.23859369  -0.46302000   0.67086609
   0.13383140  -0.36711890   0.55423570  -0.38522010  -0.49903890
   0.36510792  -0.49912310  -0.19514490   1.12623010  -0.23268570
   0.49496780   0.25518397  -0.73517000  -0.89607750   0.95139916
   0.25144472   0.52213820   0.65679222   0.01836808  -1.38173800
   0.03832938   0.11207232   0.26902177   0.58238478   1.10757900
    0
* g-type functions
    4    4
          2.40170000
          0.94400000
          0.37100000
          0.14580000
   0.10521998  -0.38795830  -0.54015460  -0.97127230
   0.33971686  -0.55192540   0.06154673   1.42790710
   0.56411761   0.18037356   0.63268065  -1.20652500
   0.28531137   0.60415486  -0.67377870   0.63051175
    0

/V.ANO-L.Pou-Amerigo.21s15p10d6f4g.8s7p6d5f4g.
R. Pou-Amerigo, M. Merchan, I. Nebot-Gil, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 92 (1995) 149-181. doi:10.1007/bf01114922
VANADIUM (21s,15p,10d,6f,4g) -> [8s,7p,6d,5f,4g]
************************************************************************
* V Vanadium atom                                                      *
* Basic primitive: 20s12p9d from                                       *
*                  H. Partridge, J. Chem. Phys., 90, 1043 (1989)       *
* Augmented: 1s even-tempered continuation with beta=0.4               *
*            3p even-tempered continuation with beta=0.4               *
*            1d even-tempered continuation with beta=0.4               *
*            6f 5 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*            4g 3 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*                                                                      *
* Contraction:   State     Field  Method  Weight                       *
*              V 4F(d3s2)  0.000   MCPF    0.200                       *
*              V 4F(d3s2)  0.010   MCPF    0.200                       *
*              V 6D(d4s)   0.000   MCPF    0.200                       *
*              V 6S(d5)    0.000   MCPF    0.200                       *
*              V+ 5D(d4)   0.000   MCPF    0.200                       *
*                                                                      *
* Contraction range: 5s3p2d   - 6s5p4d3f2g for SCF                     *
*                    5s4p3d2f - 8s7p6d5f4g for correlation             *
************************************************************************
Options
OrbitalEnergies
EndOptions
    23.0   4
* s-type functions
   21    8
    3321857.00000000
     497435.60000000
     113202.70000000
      32063.33000000
      10459.62000000
       3775.50600000
       1472.04000000
        609.93310000
        265.26340000
        119.86070000
         55.44891000
         24.98372000
         11.88056000
          5.66031100
          2.49570300
          1.17786600
          0.52004400
          0.11596500
          0.05893800
          0.02694600
          0.01077800
   0.00000883  -0.00000260   0.00000095  -0.00000020   0.00000041  -0.00000070   0.00000070  -0.00000100
   0.00006866  -0.00002040   0.00000739  -0.00000170   0.00000326  -0.00000540   0.00000520  -0.00000680
   0.00036099  -0.00010750   0.00003887  -0.00000920   0.00001661  -0.00002720   0.00002906  -0.00004150
   0.00152213  -0.00045390   0.00016423  -0.00003870   0.00007314  -0.00012220   0.00011320  -0.00014450
   0.00551165  -0.00165010   0.00059669  -0.00014080   0.00025215  -0.00041000   0.00045534  -0.00066690
   0.01766850  -0.00534000   0.00193533  -0.00045670   0.00087231  -0.00146550   0.00130153  -0.00160130
   0.05038288  -0.01559340   0.00565819  -0.00133560   0.00235836  -0.00380660   0.00443916  -0.00669230
   0.12480875  -0.04072340   0.01489218  -0.00351830   0.00683812  -0.01159340   0.00968596  -0.01124660
   0.25172615  -0.09208410   0.03404071  -0.00805470   0.01385685  -0.02209190   0.02820132  -0.04474820
   0.35922653  -0.16636470   0.06349336  -0.01508270   0.03069543  -0.05334350   0.03801966  -0.03654160
   0.27416445  -0.18580410   0.07421806  -0.01773950   0.02615091  -0.03823630   0.07857070  -0.14943220
   0.06486325   0.04585458  -0.01908000   0.00455364   0.00874491  -0.02907220  -0.06832350   0.19110584
  -0.00116620   0.50807061  -0.28571740   0.07165822  -0.17680100   0.34559817  -0.14736410   0.06905681
   0.00198280   0.50692043  -0.45245900   0.12029781  -0.15916140   0.25792818  -0.82902110   1.69200910
  -0.00092240   0.09430995   0.09007795  -0.03297310  -0.08362760   0.02175315   1.63122450  -4.96967400
   0.00040988  -0.00270220   0.72508737  -0.24733060   1.01147820  -2.40280600   0.23192924   5.29396380
  -0.00017020   0.00240065   0.42300422  -0.28548310  -0.22802420   2.70767500  -2.15214700  -2.39720300
   0.00007885  -0.00067900   0.02042977   0.35331149  -2.26950100  -0.25108400   4.89520660  -0.66756870
  -0.00007520   0.00064630  -0.01164770   0.59079651   1.60659870  -2.02543500  -5.96357100   3.38722670
   0.00003493  -0.00029880   0.00432259   0.22227516   0.30163731   1.79308710   2.17030290  -4.30186600
  -0.00000850   0.00007268  -0.00095410   0.00404189   0.13033433  -0.03372380   0.37871365   2.24684740
    4
 -20.132257e1 -23.67206000  -2.99279000  -0.21441000
* p-type functions
   15    7
       5777.37700000
       1368.67400000
        444.12330000
        169.09910000
         71.10191000
         31.90311000
         14.85109000
          7.08522700
          3.32442200
          1.54116400
          0.69052000
          0.28542400
          0.11417000
          0.04566800
          0.01826700
   0.00018364  -0.00006410   0.00001786  -0.00002930   0.00003757  -0.00005740   0.00004717
   0.00161110  -0.00056260   0.00015831  -0.00025550   0.00031060  -0.00047960   0.00079787
   0.00893306  -0.00314410   0.00087602  -0.00143690   0.00184297  -0.00281000   0.00232320
   0.03640766  -0.01295560   0.00365295  -0.00589370   0.00715633  -0.01104480   0.01874096
   0.11255928  -0.04131800   0.01154370  -0.01897940   0.02447013  -0.03724580   0.02910045
   0.25238886  -0.09610600   0.02735364  -0.04405560   0.05280936  -0.08169560   0.15830173
   0.38048748  -0.15458390   0.04343197  -0.07318490   0.09891909  -0.15309860   0.05462061
   0.31047820  -0.11487580   0.03382935  -0.05429490   0.06201692  -0.15863690   0.54869931
   0.08808031   0.16825757  -0.06114900   0.10392677  -0.12794370   0.44880841  -2.07482200
   0.00320003   0.47522201  -0.15596350   0.35080196  -0.64800290   1.23670600   1.80041500
   0.00136798   0.41995647  -0.19423340   0.21455923   0.26641426  -2.69004000   0.18305779
  -0.00038780   0.10071516   0.12128512  -0.91179100   1.37800780   1.90754510  -1.88871400
   0.00021436  -0.00165100   0.68002867  -0.29944180  -1.66822500  -0.15905240   2.71073900
  -0.00010280   0.00277481   0.32526772   0.79383862   0.32032507  -1.09269000  -2.58362000
   0.00003206  -0.00074620   0.01640418   0.24053483   0.68719137   0.95690944   1.36049790
    2
 -19.82389000  -1.84417000
* d-type functions
   10    6
        155.85270000
         46.49771000
         17.62999000
          7.35467200
          3.27405100
          1.48248200
          0.66135100
          0.28482600
          0.11289900
          0.04516000
   0.00082402  -0.00073700   0.00111483  -0.00160610   0.00235870  -0.00279830
   0.00690787  -0.00615680   0.00949818  -0.01385620   0.01838356  -0.03231840
   0.03046120  -0.02746690   0.04217370  -0.06229780   0.09402233  -0.12735110
   0.09234492  -0.08414480   0.13485535  -0.20931580   0.30787651  -0.62960570
   0.19856961  -0.18070830   0.27482529  -0.38597190   0.49646648   0.12458911
   0.29427802  -0.23594040   0.27099699  -0.04116230  -0.93727640   1.60105310
   0.31782364  -0.15454830  -0.17801220   0.90020360  -0.26353080  -2.59638700
   0.27361464   0.19348164  -0.65249560  -0.17294460   1.51137020   2.28679200
   0.15457842   0.46099507  -0.03686490  -1.00120500  -1.64835400  -1.43284700
   0.05137878   0.41547911   0.73380859   0.90394104   0.86279221   0.58347956
    1
  -0.32069000
* f-type functions
    6    5
          5.90660000
          2.34120000
          0.92790000
          0.36780000
          0.14580000
          0.05780000
   0.04103165  -0.11078580   0.24098334  -0.45148900   0.67789259
   0.16050066  -0.38304920   0.57916148  -0.36298180  -0.49030530
   0.39186678  -0.46986320  -0.26821710   1.09856090  -0.24823550
   0.46817414   0.29209866  -0.68232650  -0.89635540   0.97160264
   0.23292268   0.51792182   0.64138311   0.00667185  -1.39210200
   0.03878760   0.11509426   0.26286929   0.61585876   1.09613420
    0
* g-type functions
    4    4
          3.34060000
          1.31300000
          0.51610000
          0.20280000
   0.09336339  -0.34102680   0.49376937  -0.20561100
   0.31083775  -0.51794230  -0.08196600   0.30412955
   0.47448495   0.19167126  -0.53268200  -0.26434240
   0.23905823   0.55279659   0.57865717   0.14211497
    0

/Cr.ANO-L.Pou-Amerigo.21s15p10d6f4g.8s7p6d5f4g.
R. Pou-Amerigo, M. Merchan, I. Nebot-Gil, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 92 (1995) 149-181. doi:10.1007/bf01114922
CHROMIUM (21s,15p,10d,6f,4g) -> [8s,7p,6d,5f,4g]
************************************************************************
* Cr Chromium atom                                                     *
* Basic primitive: 20s12p9d from                                       *
*                  H. Partridge, J. Chem. Phys., 90, 1043 (1989)       *
* Augmented: 1s even-tempered continuation with beta=0.4               *
*            3p even-tempered continuation with beta=0.4               *
*            1d even-tempered continuation with beta=0.4               *
*            6f 5 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*            4g 3 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*                                                                      *
* Contraction:   State      Field  Method  Weight                      *
*              Cr 7S(d5s)   0.000   MCPF    0.200                      *
*              Cr 7S(d5s)   0.???   MCPF    0.200                      *
*              Cr 5D(d4s2)  0.000   MCPF    0.200                      *
*              Cr 5D(d6)    0.000   MCPF    0.200                      *
*              Cr+ ???????  0.000   MCPF    0.200                      *
*                                                                      *
* Contraction range: 5s3p2d   - 6s5p4d3f2g for SCF                     *
*                    5s4p3d2f - 8s7p6d5f4g for correlation             *
************************************************************************
Options
OrbitalEnergies
EndOptions
    24.0   4
* s-type functions
   21    8
    6177194.00000000
     924929.50000000
     210486.50000000
      59620.05000000
      19450.76000000
       7022.05600000
       2738.76300000
       1135.81400000
        495.09230000
        224.74870000
        105.38360000
         50.19359000
         22.24957000
         10.98265000
          5.38366500
          2.34368500
          1.10520200
          0.48784800
          0.08959900
          0.03342300
          0.01336900
   0.00000453  -0.00000140   0.00000049  -0.00000010   0.00000022  -0.00000040   0.00000057  -0.00000120
   0.00003521  -0.00001060   0.00000382  -0.00000090   0.00000164  -0.00000270   0.00000495  -0.00000570
   0.00018515  -0.00005550   0.00002012  -0.00000480   0.00000920  -0.00001470   0.00002201  -0.00005680
   0.00078168  -0.00023440   0.00008479  -0.00002000   0.00003566  -0.00005850   0.00011543  -0.00009070
   0.00284001  -0.00085460   0.00030979  -0.00007390   0.00014466  -0.00022940   0.00031762  -0.00101630
   0.00919119  -0.00277760   0.00100501  -0.00023660   0.00041229  -0.00068230   0.00144524  -0.00057270
   0.02681960  -0.00823310   0.00299257  -0.00071610   0.00143310  -0.00225550   0.00281962  -0.01153910
   0.07006655  -0.02215430   0.00805281  -0.00189060   0.00319367  -0.00535390   0.01243187   0.00082352
   0.15802289  -0.05364420   0.01974039  -0.00475090   0.00983572  -0.01532300   0.01615043  -0.09448890
   0.28468010  -0.11084460   0.04123838  -0.00964650   0.01526096  -0.02636230   0.07299220   0.05848109
   0.34784190  -0.17981180   0.06982356  -0.01712800   0.03887358  -0.05910420   0.03281594  -0.52732410
   0.21469596  -0.15326130   0.06194171  -0.01396960   0.01102886  -0.02750750   0.20421416   0.66490439
   0.03639134   0.15704605  -0.07028210   0.01468508   0.01119258   0.00607137  -0.40665110  -1.95251100
  -0.00233900   0.55798352  -0.35206530   0.09575892  -0.27550750   0.41885794  -0.00596390   7.62914130
   0.00157585   0.40642734  -0.38303600   0.09291531  -0.02447570   0.18358054  -1.93485000 -11.90154000
  -0.00070320   0.05485289   0.26660971  -0.06694350  -0.14028950  -0.34679470   6.13937260  10.92015100
   0.00028399  -0.00183770   0.70724401  -0.30576810   1.39136390  -1.98221100  -6.58541100  -6.81439800
  -0.00010280   0.00145363   0.31331992  -0.17006770  -0.97588370   2.83069160   2.81404490   2.25475520
   0.00002443  -0.00007650   0.00785528   0.74527867  -1.41883500  -1.93940600  -0.03754380  -0.40553220
  -0.00001690   0.00023542  -0.00362720   0.39684274   1.71845830   0.89050598  -1.11094600   0.09131826
   0.00000599  -0.00004620   0.00107928   0.00528540  -0.15218120   0.33550718   1.05236790   0.07126284
    4
  -2.203855e2 -26.20938000  -3.28495000  -0.22194000
* p-type functions
   15    7
       6268.92100000
       1485.11800000
        481.91460000
        183.51420000
         77.19005000
         34.65178000
         16.14846000
          7.71093900
          3.60715400
          1.66736200
          0.73908800
          0.30132600
          0.12053000
          0.04821200
          0.01928500
   0.00018739  -0.00006560   0.00002114  -0.00004280   0.00004898  -0.00005110   0.00006531
   0.00164431  -0.00057560   0.00018614  -0.00036790   0.00041516  -0.00051760   0.00088093
   0.00912076  -0.00322040   0.00103814  -0.00210200   0.00240431  -0.00250870   0.00325738
   0.03719649  -0.01327760   0.00430205  -0.00850300   0.00960043  -0.01202570   0.02074716
   0.11492608  -0.04237710   0.01371148  -0.02787310   0.03196836  -0.03290190   0.04256650
   0.25692935  -0.09833830   0.03212876  -0.06332420   0.07142638  -0.09340990   0.17152030
   0.38335937  -0.15697670   0.05144403  -0.10828590   0.12916325  -0.12414110   0.14457122
   0.30473539  -0.10861110   0.03596735  -0.07062480   0.10060059  -0.21379300   0.39092669
   0.08243436   0.18485066  -0.07642230   0.17670897  -0.34212040   0.83665232  -2.42036800
   0.00273624   0.47596476  -0.19422200   0.57084961  -0.83549890   0.34600582   3.06951180
   0.00145719   0.40672296  -0.18560820  -0.03570800   1.41643780  -2.12483100  -1.59571400
  -0.00032910   0.10212740   0.20105820  -1.25601300  -0.04974320   2.48116440  -0.26908320
   0.00022833  -0.00155650   0.68652456   0.40458459  -1.33599800  -1.48346900   1.58828110
  -0.00010210   0.00275349   0.26067748   0.58709906   0.97815558  -0.10461050  -2.07075200
   0.00003224  -0.00077330   0.00171746   0.00688969   0.25778321   0.82880562   1.29901160
    2
 -22.13952000  -2.05069000
* d-type functions
   10    6
        150.83410000
         44.99723000
         16.96088000
          7.04015400
          3.10387800
          1.37589600
          0.59228200
          0.24213800
          0.09128400
          0.03651400
   0.00118076  -0.00073170   0.00147093  -0.00198190   0.00293042  -0.00365890
   0.00966118  -0.00593860   0.01221628  -0.01633860   0.02400180  -0.03901960
   0.04140729  -0.02588100   0.05281196  -0.07298360   0.11269289  -0.15934630
   0.12131664  -0.07615180   0.16199100  -0.23037030   0.37251217  -0.67852770
   0.24095388  -0.15059490   0.29357778  -0.36806240   0.35632893   0.49893128
   0.32484954  -0.16871590   0.23847460   0.09367552  -0.97662770   1.00466890
   0.32060330  -0.07194640  -0.23308910   0.77748431   0.00841508  -2.05693700
   0.23605297   0.19912700  -0.56415040  -0.16503670   1.20105610   1.97008260
   0.09618844   0.30980514  -0.18723120  -0.99837170  -1.46416300  -1.33120200
   0.02433110   0.61183718   0.71568988   0.83634879   0.77260007   0.56566185
    1
  -0.37348000
* f-type functions
    6    5
          7.71390000
          3.05750000
          1.21190000
          0.48030000
          0.19040000
          0.07550000
   0.03904982  -0.09216890   0.20473737  -0.37034720   0.61620681
   0.16805148  -0.36090680   0.57457543  -0.44508770  -0.20810040
   0.40501469  -0.45590560  -0.17144470   0.97410397  -0.66525620
   0.45078646   0.24749491  -0.69725310  -0.50845630   1.33086930
   0.22761472   0.51827288   0.45746728  -0.45602290  -1.50397300
   0.05358525   0.19289890   0.41964846   0.82091235   0.96516122
    0
* g-type functions
    4    4
          4.36270000
          1.71480000
          0.67400000
          0.26490000
   0.09899293   0.25622855   0.69331465  -0.88396320
   0.37757706   0.43342788  -0.05783130   1.28166040
   0.52313249  -0.12143690  -0.79726060  -1.10618400
   0.29987327  -0.49414150   0.79855974   0.57647738
    0

/Mn.ANO-L.Pou-Amerigo.21s15p10d6f4g.8s7p6d5f4g.
R. Pou-Amerigo, M. Merchan, I. Nebot-Gil, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 92 (1995) 149-181. doi:10.1007/bf01114922
MANGANESE (21s,15p,10d,6f,4g) -> [8s,7p,6d,5f,4g]
************************************************************************
* Mn Manganese atom                                                    *
* Basic primitive: 20s12p9d from                                       *
*                  H. Partridge, J. Chem. Phys., 90, 1043 (1989)       *
* Augmented: 1s even-tempered continuation with beta=0.4               *
*            3p even-tempered continuation with beta=0.4               *
*            1d even-tempered continuation with beta=0.4               *
*            6f 5 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*            4g 3 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*                                                                      *
* Contraction:   State      Field  Method  Weight                      *
*              Mn 6S(d5s2)  0.000   MCPF    0.200                      *
*              Mn 6S(d5s2)  0.010   MCPF    0.200                      *
*              Mn 6D(d6s)   0.000   MCPF    0.200                      *
*              Mn 4F(d7)    0.000   MCPF    0.200                      *
*              Mn+ 7S(d5s)  0.000   MCPF    0.200                      *
*                                                                      *
* Contraction range: 5s3p2d   - 6s5p4d3f2g for SCF                     *
*                    5s4p3d2f - 8s7p6d5f4g for correlation             *
************************************************************************
Options
OrbitalEnergies
EndOptions
    25.0   4
* s-type functions
   21    8
    3960805.00000000
     593115.50000000
     134976.80000000
      38230.67000000
      12471.54000000
       4501.74300000
       1755.21200000
        727.30390000
        316.36780000
        143.00980000
         66.21805000
         29.91896000
         14.30318000
          6.83945100
          3.01237400
          1.41880800
          0.62362400
          0.13409800
          0.06554800
          0.02958400
          0.01183400
   0.00000874  -0.00000260   0.00000097  -0.00000020   0.00000035  -0.00000070   0.00000086  -0.00000100
   0.00006798  -0.00002050   0.00000754  -0.00000180   0.00000278  -0.00000580   0.00000625  -0.00000740
   0.00035740  -0.00010780   0.00003963  -0.00000940   0.00001423  -0.00002880   0.00003619  -0.00004250
   0.00150705  -0.00045530   0.00016747  -0.00003980   0.00006222  -0.00012990   0.00013439  -0.00015830
   0.00545756  -0.00165520   0.00060841  -0.00014450   0.00021660  -0.00043510   0.00057351  -0.00067290
   0.01749973  -0.00535760   0.00197443  -0.00046990   0.00074071  -0.00155900   0.00152212  -0.00179950
   0.04993510  -0.01565660   0.00577534  -0.00137120   0.00203365  -0.00404210   0.00567100  -0.00664250
   0.12388065  -0.04095100   0.01523348  -0.00363220   0.00580329  -0.01236980   0.01108897  -0.01320330
   0.25049690  -0.09287230   0.03492024  -0.00830490   0.01207351  -0.02356150   0.03703101  -0.04346640
   0.35895921  -0.16842450   0.06548772  -0.01572940   0.02604552  -0.05741360   0.04081039  -0.05005720
   0.27590166  -0.18918780   0.07702395  -0.01842520   0.02385161  -0.04110840   0.11359020  -0.13396720
   0.06596040   0.04616512  -0.01954550   0.00436727   0.00485288  -0.03230330  -0.12393240   0.13606088
  -0.00123720   0.51471840  -0.30058260   0.07696053  -0.14730130   0.37768105  -0.10939550   0.27189303
   0.00195629   0.50418495  -0.45625350   0.12103875  -0.14594950   0.26094306  -1.22496100   1.47458610
  -0.00090710   0.09186063   0.12027269  -0.03966160  -0.03547160  -0.00501200   2.76501310  -5.24583100
   0.00039751  -0.00258700   0.72812934  -0.26313840   0.77851701  -2.43265200  -1.14813300   6.31715330
  -0.00015930   0.00230804   0.40324535  -0.26294560  -0.08070840   2.70448470  -1.32801400  -3.56602700
   0.00006825  -0.00059920   0.01779610   0.43299071  -2.04653000  -0.18863590   4.46581210   1.56932110
  -0.00006470   0.00056841  -0.01018190   0.54643391   1.23053960  -1.98447500  -6.15458300   0.05076783
   0.00003125  -0.00027370   0.00400366   0.19067476   0.54467078   1.81069230   3.05964190  -2.17485400
  -0.00000790   0.00006891  -0.00092400  -0.00022150   0.08868424  -0.15215100  -0.17840820   1.72034160
    4
 -24.035373e1 -28.90915000  -3.62139000  -0.22691000
* p-type functions
   15    7
       7048.27100000
       1669.67800000
        541.85710000
        206.42950000
         86.89334000
         39.06309000
         18.24725000
          8.74128900
          4.11933200
          1.91480400
          0.85789300
          0.35495000
          0.14198000
          0.05679200
          0.02271700
   0.00017838  -0.00006390   0.00001764  -0.00003520   0.00003827  -0.00005470   0.00005396
   0.00156682  -0.00056100   0.00015601  -0.00030590   0.00032349  -0.00051490   0.00080032
   0.00871540  -0.00314650   0.00086965  -0.00173610   0.00188621  -0.00269970   0.00268301
   0.03571612  -0.01303980   0.00363280  -0.00712210   0.00752973  -0.01202360   0.01893382
   0.11121532  -0.04192160   0.01162417  -0.02325950   0.02535636  -0.03607640   0.03485681
   0.25160511  -0.09857340   0.02770210  -0.05418060   0.05694881  -0.09331070   0.15977682
   0.38123080  -0.15962520   0.04470706  -0.09199500   0.10353017  -0.14166600   0.10213504
   0.31029020  -0.11507290   0.03304798  -0.06717710   0.07872645  -0.20868190   0.50439901
   0.08812067   0.17705150  -0.06260660   0.13777231  -0.19226940   0.67105097  -2.26790500
   0.00359901   0.47737788  -0.16108730   0.46888224  -0.69137230   0.84618017   2.31120110
   0.00145213   0.41264499  -0.17690520   0.10208168   0.61487765  -2.43522800  -0.39412520
  -0.00033420   0.09948657   0.12091273  -1.04596100   0.92077357   1.93810380  -1.48444000
   0.00020601  -0.00159780   0.64429185  -0.06945110  -1.51537700  -0.27090800   2.48652390
  -0.00009730   0.00267826   0.35827295   0.68819973   0.36824918  -1.06543600  -2.44813000
   0.00003032  -0.00071550   0.01972486   0.18214327   0.70160792   0.99859212   1.28274840
    2
 -24.61603000  -2.29839000
* d-type functions
   10    6
        199.83570000
         59.72176000
         22.74772000
          9.56500300
          4.28549900
          1.95097500
          0.87279600
          0.37562100
          0.14800900
          0.05920400
   0.00086891  -0.00061410   0.00124531  -0.00144350   0.00222581  -0.00235520
   0.00740550  -0.00517230   0.01084024  -0.01243060   0.01898880  -0.03388380
   0.03343543  -0.02375470   0.04918383  -0.05807330   0.09232563  -0.11399970
   0.10222306  -0.07263280   0.16008166  -0.19535270   0.33205016  -0.69995660
   0.21763820  -0.15840410   0.32014185  -0.37455660   0.50021708   0.30744285
   0.31388649  -0.20224890   0.26650740   0.04875241  -1.01976300   1.41197250
   0.32265141  -0.12237590  -0.28152510   0.78022240  -0.16460500  -2.50979900
   0.24897735   0.19545298  -0.57570980  -0.11241070   1.43493640   2.26531440
   0.11555483   0.39788322  -0.07034260  -1.10424800  -1.56622400  -1.41125700
   0.03978048   0.51436971   0.67373316   0.97098943   0.78798753   0.56051661
    1
  -0.38285000
* f-type functions
    6    5
          9.54130000
          3.78180000
          1.49900000
          0.59410000
          0.23550000
          0.09330000
   0.03498523  -0.08024420   0.16572786  -0.32048120   0.57319223
   0.15976609  -0.34830930   0.57437755  -0.55006500  -0.10360680
   0.39648688  -0.47839020  -0.10199290   1.01968910  -0.76003690
   0.45515610   0.22560179  -0.75240290  -0.48589200   1.37848740
   0.23977597   0.52997079   0.45286160  -0.47359720  -1.51873700
   0.05663872   0.19214405   0.43555178   0.80734613   0.97413210
    0
* g-type functions
    4    4
          5.39630000
          2.12100000
          0.83370000
          0.32770000
   0.08170016  -0.30311870   0.64839085   1.01264000
   0.34540706  -0.60667150   0.02836825  -1.40696700
   0.52930680   0.11185796  -0.84813560   1.17717960
   0.34012540   0.65216468   0.79339487  -0.60317130
    0

/Fe.ANO-L.Pou-Amerigo.21s15p10d6f4g.8s7p6d5f4g.
R. Pou-Amerigo, M. Merchan, I. Nebot-Gil, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 92 (1995) 149-181. doi:10.1007/bf01114922
IRON (21s,15p,10d,6f,4g) -> [8s,7p,6d,5f,4g]
************************************************************************
* Fe Iron atom                                                         *
* Basic primitive: 20s12p9d from                                       *
*                  H. Partridge, J. Chem. Phys., 90, 1043 (1989)       *
* Augmented: 1s even-tempered continuation with beta=0.4               *
*            3p even-tempered continuation with beta=0.4               *
*            1d even-tempered continuation with beta=0.4               *
*            6f 5 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*            4g 3 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*                                                                      *
* Contraction:   State      Field  Method  Weight                      *
*              Fe 5D(d6s2)  0.000   MCPF    0.200                      *
*              Fe 5D(d6s2)  0.015   MCPF    0.200                      *
*              Fe 5F(d7s)   0.000   MCPF    0.200                      *
*              Fe 3F(d8)    0.000   MCPF    0.200                      *
*              Fe+ 6D(d6s)  0.000   MCPF    0.200                      *
*                                                                      *
* Contraction range: 5s3p2d   - 6s5p4d3f2g for SCF                     *
*                    5s4p3d2f - 8s7p6d5f4g for correlation             *
************************************************************************
Options
OrbitalEnergies
EndOptions
    26.0   4
* s-type functions
   21    8
    4316265.00000000
     646342.40000000
     147089.70000000
      41661.52000000
      13590.77000000
       4905.75000000
       1912.74600000
        792.60430000
        344.80650000
        155.89990000
         72.23091000
         32.72506000
         15.66762000
          7.50348300
          3.31222300
          1.55847100
          0.68391400
          0.14675700
          0.07058300
          0.03144900
          0.01258000
   0.00000869  -0.00000260   0.00000085  -0.00000020   0.00000035  -0.00000070   0.00000081  -0.00000100
   0.00006755  -0.00002020   0.00000660  -0.00000180   0.00000273  -0.00000570   0.00000587  -0.00000700
   0.00035514  -0.00010650   0.00003471  -0.00000940   0.00001401  -0.00002870   0.00003390  -0.00004070
   0.00149758  -0.00044950   0.00014670  -0.00003970   0.00006113  -0.00012810   0.00012625  -0.00015070
   0.00542368  -0.00163470   0.00053293  -0.00014380   0.00021326  -0.00043330   0.00053681  -0.00064370
   0.01739498  -0.00529340   0.00173043  -0.00046800   0.00072769  -0.00153520   0.00143200  -0.00171170
   0.04966288  -0.01548620   0.00506478  -0.00136580   0.00200474  -0.00403960   0.00530524  -0.00636670
   0.12335573  -0.04059850   0.01338915  -0.00362260   0.00570613  -0.01216330   0.01046250  -0.01252690
   0.25002288  -0.09250400   0.03080255  -0.00829640   0.01195172  -0.02374360   0.03466553  -0.04179840
   0.35990369  -0.16905000   0.05821825  -0.01577060   0.02569755  -0.05631410   0.03881305  -0.04704460
   0.27899279  -0.19228400   0.06938655  -0.01858720   0.02403849  -0.04348580   0.10640664  -0.13008460
   0.06684859   0.04532080  -0.01668270   0.00410355   0.00461023  -0.02746690  -0.11425850   0.13536565
  -0.00530450   0.52919124  -0.28071900   0.07759402  -0.14507200   0.35854227  -0.08055550   0.16628852
  -0.00219420   0.52613699  -0.43502950   0.12054486  -0.14701850   0.29723727  -1.22133900   1.70571700
  -0.00156720   0.08634042   0.13102653  -0.04091310  -0.02284040  -0.05560670   2.62540500  -5.39768900
   0.00070059  -0.03666660   0.72871523  -0.26246710   0.74958123  -2.35786300  -0.96387930   6.18158200
  -0.00001330  -0.01644200   0.39852762  -0.25768170  -0.07729630   2.62219710  -1.39819200  -3.26150500
   0.00007584  -0.00138020   0.01733967   0.43339758  -1.92800900  -0.09696180   4.14947270   0.90032804
  -0.00006820   0.00098672  -0.00966160   0.54662556   1.06569450  -1.99104900  -5.40974900   0.99723153
   0.00003286  -0.00043850   0.00385198   0.18747114   0.60856319   1.72090500   2.35644950  -2.75224800
  -0.00000840   0.00010903  -0.00090970   0.00270482   0.09196064  -0.10051950   0.12730233   1.86209100
    4
 -26.117279e1 -31.71379000  -3.95726000  -0.23013000
* p-type functions
   15    7
       7721.48900000
       1829.12600000
        593.62800000
        226.20540000
         95.26145000
         42.85920000
         20.04971000
          9.62088500
          4.54137100
          2.11350000
          0.94720100
          0.39124300
          0.15649700
          0.06259900
          0.02504000
   0.00017940  -0.00005530   0.00001827  -0.00003460   0.00003991  -0.00005450   0.00006248
   0.00157653  -0.00048580   0.00016138  -0.00030210   0.00034847  -0.00056600   0.00080567
   0.00878209  -0.00273220   0.00090232  -0.00170710   0.00197164  -0.00269790   0.00309858
   0.03607769  -0.01136920   0.00377265  -0.00706390   0.00815407  -0.01330770   0.01915800
   0.11272928  -0.03684800   0.01213515  -0.02300820   0.02661734  -0.03603850   0.04130870
   0.25609280  -0.08750780   0.02898861  -0.05424340   0.06262644  -0.10609660   0.16004548
   0.38909425  -0.14330720   0.04708145  -0.09111680   0.10665344  -0.13086550   0.14569937
   0.31513025  -0.09976090   0.03395627  -0.06773050   0.09339326  -0.27286100   0.46212609
   0.07892748   0.18578570  -0.06721070   0.14812742  -0.23558910   0.87476561  -2.46528000
  -0.01959520   0.47909012  -0.17287650   0.46037011  -0.68343630   0.58764224   2.86141310
  -0.01837930   0.40815100  -0.16620750   0.03915707   0.63114560  -2.29424000  -1.06044600
  -0.00505370   0.09750333   0.14589742  -0.91332880   0.89696110   1.92836100  -0.96776360
   0.00027944  -0.00155180   0.61178551  -0.15696580  -1.38206000  -0.28128930   2.16152290
  -0.00022310   0.00263138   0.35925888   0.64005451   0.16944946  -1.03870800  -2.25377400
   0.00006381  -0.00070260   0.04073564   0.28359879   0.76562060   0.93879985   1.18630030
    2
 -27.19588000  -2.54507000
* d-type functions
   10    6
        217.36880000
         64.99976000
         24.77314000
         10.43614000
          4.67965300
          2.12562200
          0.94524200
          0.40268500
          0.15665100
          0.06266000
   0.00090859  -0.00072370   0.00125891  -0.00161930   0.00209633  -0.00189650
   0.00775703  -0.00612900   0.01092111  -0.01394030   0.01981104  -0.03534070
   0.03509608  -0.02813160   0.04980135  -0.06542380   0.08767694  -0.09471480
   0.10690639  -0.08623050   0.16077486  -0.22105340   0.35342277  -0.75104540
   0.22354778  -0.18379140   0.32346144  -0.41836770   0.46566332   0.49963991
   0.31482281  -0.22300410   0.24231987   0.18487331  -1.18418500   1.12575900
   0.31706314  -0.09948400  -0.34487070   0.78688109   0.22287923  -2.31379000
   0.24533968   0.24250462  -0.54964040  -0.34311580   1.12168860   2.24451090
   0.11980182   0.42175965   0.03680085  -0.87041820  -1.51115100  -1.50100200
   0.04248366   0.43580570   0.65109526   0.90154758   0.84889270   0.63294990
    1
  -0.40639000
* f-type functions
    6    5
         11.27490000
          4.46900000
          1.77130000
          0.70210000
          0.27830000
          0.11030000
   0.03258762  -0.07378730   0.15048476  -0.32457570   0.57593078
   0.15612854  -0.35717230   0.61759584  -0.57365240  -0.17835400
   0.40094745  -0.48333090  -0.15246510   1.12688610  -0.62605140
   0.45321069   0.23975434  -0.74400380  -0.68332020   1.27788470
   0.23899828   0.52100979   0.50331812  -0.28130750  -1.52637500
   0.05966161   0.18732479   0.38453654   0.71794260   1.04559300
    0
* g-type functions
    4    4
          6.37680000
          2.50640000
          0.98510000
          0.38720000
  -0.07181810  -0.29275760   0.59985778  -0.77526150
  -0.35672040  -0.60349290   0.01174938   1.06958310
  -0.51716410   0.16179085  -0.76182430  -0.90652520
  -0.29398480   0.62253897   0.74342225   0.47321069
    0

/Co.ANO-L.Pou-Amerigo.21s15p10d6f4g.8s7p6d5f4g.
R. Pou-Amerigo, M. Merchan, I. Nebot-Gil, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 92 (1995) 149-181. doi:10.1007/bf01114922
COBALT (21s,15p,10d,6f,4g) -> [8s,7p,6d,5f,4g]
************************************************************************
* Co Cobalt atom                                                       *
* Basic primitive: 20s12p9d from                                       *
*                  H. Partridge, J. Chem. Phys., 90, 1043 (1989)       *
* Augmented: 1s even-tempered continuation with beta=0.4               *
*            3p even-tempered continuation with beta=0.4               *
*            1d even-tempered continuation with beta=0.4               *
*            6f 5 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*            4g 3 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*                                                                      *
* Contraction:   State      Field  Method  Weight                      *
*              Co 4F(d7s2)  0.000   MCPF    0.200                      *
*              Co 4F(d7s2)  0.???   MCPF    0.200                      *
*              Co 4D(d8s)   0.000   MCPF    0.200                      *
*              Co 2D(d9)    0.000   MCPF    0.200                      *
*              Co+ ??????   0.000   MCPF    0.200                      *
*                                                                      *
* Contraction range: 5s3p2d   - 6s5p4d3f2g for SCF                     *
*                    5s4p3d2f - 8s7p6d5f4g for correlation             *
************************************************************************
Options
OrbitalEnergies
EndOptions
    27.0   4
* s-type functions
   21    8
    4676708.00000000
     700317.20000000
     159373.00000000
      45140.67000000
      14725.75000000
       5315.44800000
       2072.49800000
        858.82310000
        373.64370000
        168.96820000
         78.31971000
         35.53724000
         17.04735000
          8.17553400
          3.61157800
          1.69746800
          0.74363600
          0.15832500
          0.07500900
          0.03309300
          0.01323700
   0.00000862  -0.00000260   0.00000098  -0.00000020   0.00000044  -0.00000070   0.00000067  -0.00000100
   0.00006703  -0.00002040   0.00000762  -0.00000170   0.00000347  -0.00000550   0.00000496  -0.00000730
   0.00035243  -0.00010750   0.00004004  -0.00000890   0.00001770  -0.00002790   0.00002820  -0.00004220
   0.00148616  -0.00045380   0.00016923  -0.00003790   0.00007793  -0.00012220   0.00010728  -0.00015810
   0.00538250  -0.00165000   0.00061484  -0.00013730   0.00026886  -0.00042470   0.00044435  -0.00066600
   0.01726474  -0.00534190   0.00199594  -0.00044680   0.00093001  -0.00145680   0.00122610  -0.00180440
   0.04930401  -0.01562390   0.00584290  -0.00130530   0.00252087  -0.00399180   0.00436638  -0.00656500
   0.12253550  -0.04092880   0.01543990  -0.00346240   0.00732687  -0.01146260   0.00906970  -0.01329910
   0.24860382  -0.09312740   0.03551543  -0.00794870   0.01498118  -0.02386790   0.02829761  -0.04290580
   0.35837905  -0.16965500   0.06696125  -0.01512480   0.03342105  -0.05222480   0.03494891  -0.05088960
   0.27841055  -0.19245090   0.07961678  -0.01794030   0.02931208  -0.04836930   0.08403478  -0.13104100
   0.06785877   0.04347139  -0.01872100   0.00395775   0.00996532  -0.01193170  -0.08208740   0.13014281
  -0.00115750   0.51737043  -0.31042280   0.07479185  -0.19610040   0.30946349  -0.08532520   0.14081641
   0.00192304   0.50464645  -0.46054150   0.11490079  -0.17626490   0.39054298  -0.99683840   1.90270160
  -0.00088960   0.09201286   0.13587243  -0.04223380  -0.03861910  -0.28532140   2.06965250  -5.66431000
   0.00038521  -0.00234550   0.73020264  -0.24686420   1.08415130  -2.05903400  -0.52725830   6.13287560
  -0.00015140   0.00224229   0.39330008  -0.24198820  -0.42626710   2.57812780  -1.41835500  -2.89561700
   0.00006126  -0.00053850   0.01679521   0.37226088  -1.91956200  -0.61815020   3.49227510  -0.04434280
  -0.00005670   0.00050121  -0.00930160   0.56759555   1.37322520  -1.30766700  -4.08162000   2.30677710
   0.00002784  -0.00024560   0.00375185   0.21737935   0.27764584   1.32262520   1.06531310  -3.40497900
  -0.00000730   0.00006422  -0.00090600   0.00352473   0.13569011   0.10033553   0.75922506   1.87662620
    4
 -28.285035e1 -34.62979000  -4.29857000  -0.23266000
* p-type functions
   15    7
       8421.84200000
       1995.00000000
        647.48550000
        246.77950000
        103.96890000
         46.81052000
         21.92703000
         10.53715000
          4.98067800
          2.31982400
          1.03960900
          0.42892100
          0.17156800
          0.06862700
          0.02745100
   0.00017491  -0.00006400   0.00001883  -0.00003830   0.00003985  -0.00005370   0.00006911
   0.00153773  -0.00056240   0.00016619  -0.00033620   0.00035808  -0.00059270   0.00077512
   0.00857464  -0.00316260   0.00093163  -0.00189450   0.00197283  -0.00266360   0.00343876
   0.03528967  -0.01316530   0.00389907  -0.00789320   0.00841770  -0.01400160   0.01847170
   0.11048562  -0.04258770   0.01259829  -0.02567960   0.02674396  -0.03561910   0.04674610
   0.25156273  -0.10095360   0.03016538  -0.06112280   0.06551271  -0.11341290   0.15132134
   0.38208843  -0.16409550   0.04922893  -0.10201960   0.10577100  -0.12402180   0.19630074
   0.30945671  -0.11461140   0.03475151  -0.07728850   0.10794079  -0.31891370   0.38612866
   0.08757280   0.18585070  -0.07188090   0.18257783  -0.29257760   1.05617000  -2.54420900
   0.00382659   0.48071243  -0.18284560   0.51785755  -0.65412750   0.30098162   3.24317070
   0.00151229   0.40513114  -0.15347360  -0.05554230   0.76754227  -2.12182000  -1.60291700
  -0.00028530   0.09651019   0.15599366  -0.93997170   0.67550465   1.98305320  -0.49723420
   0.00020138  -0.00155780   0.59752058  -0.05577780  -1.32197400  -0.43478180   1.84870480
  -0.00009280   0.00261271   0.36419424   0.61553966   0.22022438  -0.93174570  -2.08922500
   0.00002894  -0.00069720   0.04018451   0.23599688   0.76020008   0.91738297   1.13243920
    2
 -29.88594000  -2.79621000
* d-type functions
   10    6
        237.59280000
         71.08881000
         27.11903000
         11.44826000
          5.13954200
          2.33269400
          1.03403000
          0.43789900
          0.16896300
          0.06758500
   0.00092701  -0.00084720   0.00120627  -0.00171410   0.00205156  -0.00169470
   0.00793865  -0.00721600   0.01046468  -0.01490830   0.02182970  -0.03663780
   0.03606409  -0.03323240   0.04802992  -0.06950530   0.08697792  -0.08637030
   0.10968155  -0.10231590   0.15456282  -0.23750360   0.39857288  -0.79645660
   0.22645775  -0.21395030   0.31068293  -0.45108020   0.41507497   0.71535861
   0.31367762  -0.24295660   0.20905209   0.26005331  -1.33335300   0.78568134
   0.31243547  -0.06620310  -0.35934790   0.80108242   0.58326826  -2.06742900
   0.24628330   0.29378188  -0.51288440  -0.47137080   0.79678895   2.20838690
   0.12633171   0.41673019   0.07429744  -0.71721040  -1.37039400  -1.60610200
   0.03900343   0.37130918   0.68550193   0.82498909   0.82987168   0.72071882
    1
  -0.43394000
* f-type functions
    6    5
         12.84030000
          5.08940000
          2.01720000
          0.79960000
          0.31690000
          0.12560000
   0.03236906  -0.07453890   0.14591657  -0.33232960   0.60103182
   0.15788753  -0.37667740   0.63322144  -0.57727820  -0.26821590
   0.41073331  -0.47481310  -0.20378170   1.18471290  -0.50092990
   0.45170693   0.27648132  -0.71363400  -0.80309550   1.18335480
   0.22855470   0.50315310   0.53295503  -0.15528800  -1.50650700
   0.05597529   0.17676002   0.36751161   0.65459913   1.07372280
    0
* g-type functions
    4    4
          7.26210000
          2.85440000
          1.12190000
          0.44100000
  -0.05941470   0.31279874  -0.69654100   0.99927841
  -0.34983510   0.62959057   0.02955342  -1.38401800
  -0.50665640  -0.21050110   0.83710582   1.19428590
  -0.27189220  -0.60009940  -0.86665030  -0.63699310
    0

/Ni.ANO-L.Pou-Amerigo.21s15p10d6f4g.8s7p6d5f4g.
R. Pou-Amerigo, M. Merchan, I. Nebot-Gil, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 92 (1995) 149-181. doi:10.1007/bf01114922
NICKEL (21s,15p,10d,6f,4g) -> [8s,7p,6d,5f,4g]
************************************************************************
* Ni Nickel atom                                                       *
* Basic primitive: 20s12p9d from                                       *
*                  H. Partridge, J. Chem. Phys., 90, 1043 (1989)       *
* Augmented: 1s even-tempered continuation with beta=0.4               *
*            3p even-tempered continuation with beta=0.4               *
*            1d even-tempered continuation with beta=0.4               *
*            6f 5 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*            4g 3 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*                                                                      *
* Contraction:   State      Field  Method  Weight                      *
*              Ni 3F(d8s2)  0.000   MCPF    0.200                      *
*              Ni 3F(d8s2)  0.015   MCPF    0.200                      *
*              Ni 3D(d9s)   0.000   MCPF    0.200                      *
*              Ni 1S(d10)   0.000   MCPF    0.200                      *
*              Ni+ 2D(d9)   0.000   MCPF    0.200                      *
*                                                                      *
* Contraction range: 5s3p2d   - 6s5p4d3f2g for SCF                     *
*                    5s4p3d2f - 8s7p6d5f4g for correlation             *
************************************************************************
Options
OrbitalEnergies
EndOptions
    28.0   4
* s-type functions
   21    8
    5048010.00000000
     755918.10000000
     172026.20000000
      48724.57000000
      15894.89000000
       5737.46800000
       2237.05100000
        927.03020000
        403.34610000
        182.42820000
         84.58917000
         38.42293000
         18.46879000
          8.86819000
          3.91887000
          1.83985300
          0.80466300
          0.16984600
          0.07937000
          0.03470000
          0.01388000
   0.00000859  -0.00000260   0.00000098  -0.00000020   0.00000045  -0.00000070   0.00000086  -0.00000110
   0.00006676  -0.00002040   0.00000766  -0.00000170   0.00000355  -0.00000560   0.00000627  -0.00000900
   0.00035102  -0.00010760   0.00004028  -0.00000890   0.00001809  -0.00002900   0.00003641  -0.00004420
   0.00148024  -0.00045410   0.00017022  -0.00003750   0.00007957  -0.00012620   0.00013477  -0.00020330
   0.00536128  -0.00165120   0.00061846  -0.00013620   0.00027478  -0.00044210   0.00057704  -0.00066150
   0.01719845  -0.00534630   0.00200801  -0.00044320   0.00094963  -0.00150170   0.00152697  -0.00246440
   0.04912754  -0.01564110   0.00587968  -0.00129480   0.00257818  -0.00416600   0.00571489  -0.00610190
   0.12216703  -0.04099880   0.01554882  -0.00343810   0.00748691  -0.01179840   0.01115038  -0.01987330
   0.24810883  -0.09339290   0.03580902  -0.00790000   0.01536155  -0.02506610   0.03757780  -0.03554580
   0.35826234  -0.17040030   0.06764847  -0.01506930   0.03423588  -0.05358670   0.04129612  -0.09667710
   0.27910233  -0.19374000   0.08065478  -0.01791070   0.03032359  -0.05236170   0.11727594  -0.05833300
   0.06830145   0.04354049  -0.01892620   0.00392193   0.00992020  -0.00783680  -0.12728780  -0.09347020
  -0.00118350   0.51950274  -0.31545840   0.07504682  -0.20137340   0.31051000  -0.05821800   0.75915216
   0.00191625   0.50372386  -0.46110780   0.11324246  -0.18303880   0.44043500  -1.49958200   1.30065970
  -0.00088450   0.09139081   0.14489869  -0.04393570  -0.02175280  -0.39622500   3.49240710  -6.12425400
   0.00038171  -0.00227360   0.73044873  -0.24438380   1.09749980  -2.00536500  -2.19076500   8.02386720
  -0.00014830   0.00220816   0.38778553  -0.23485420  -0.46797710   2.63047080  -0.54559010  -5.04603200
   0.00005854  -0.00051330   0.01622800   0.36865540  -1.85498200  -0.80559900   3.59606440   3.82795330
  -0.00005370   0.00047484  -0.00891480   0.57243374   1.32221160  -1.12092700  -5.23758600  -3.83962400
   0.00002661  -0.00023480   0.00364398   0.21592434   0.29731170   1.36863090   2.76688540   1.38030780
  -0.00000710   0.00006236  -0.00089650   0.00028770   0.11571621  -0.01542830  -0.16839860   0.13715752
    4
 -30.539483e1 -37.67074000  -4.65409000  -0.23576000
* p-type functions
   15    7
       9148.79600000
       2167.17100000
        703.38570000
        268.13420000
        113.00780000
         50.91339000
         23.87740000
         11.48924000
          5.43688400
          2.53383700
          1.13530900
          0.46789100
          0.18715600
          0.07486200
          0.02994500
   0.00017357  -0.00006400   0.00001962  -0.00004290   0.00004465  -0.00004950   0.00007492
   0.00152657  -0.00056290   0.00017312  -0.00037840   0.00042103  -0.00057910   0.00072143
   0.00852129  -0.00316920   0.00097223  -0.00212800   0.00221461  -0.00245930   0.00372753
   0.03513410  -0.01321830   0.00407438  -0.00891460   0.00994005  -0.01374210   0.01723879
   0.11025027  -0.04287100   0.01321023  -0.02898040   0.03007484  -0.03294680   0.05160920
   0.25168061  -0.10196740   0.03171293  -0.06949990   0.07851525  -0.11296890   0.13785585
   0.38250457  -0.16592570   0.05192371  -0.11563460   0.11657619  -0.11265270   0.24807384
   0.30893669  -0.11411670   0.03605129  -0.09018240   0.15823133  -0.33933110   0.26394793
   0.08722897   0.18968805  -0.07725320   0.22442351  -0.46936450   1.23179260  -2.46405900
   0.00392062   0.48171716  -0.19414970   0.59429596  -0.66531670  -0.17715500   3.41213180
   0.00153919   0.40202033  -0.14772330  -0.16225690   1.24799050  -1.71378400  -2.01147200
  -0.00026550   0.09551929   0.17187531  -1.03404300   0.06088248   2.09813720  -0.04219670
   0.00019937  -0.00154890   0.60426626   0.15003199  -1.22401600  -0.94192350   1.52019810
  -0.00009090   0.00258826   0.35544105   0.61273403   0.59511470  -0.58235760  -1.98531700
   0.00002837  -0.00069060   0.02125057   0.09486061   0.50804733   0.95110917   1.17899740
    2
 -32.69900000  -3.05979000
* d-type functions
   10    6
        258.86670000
         77.49604000
         29.58972000
         12.51527000
          5.62446800
          2.55130300
          1.12806000
          0.47537300
          0.18212800
          0.07285100
   0.00095252  -0.00092610   0.00123665  -0.00177870   0.00201937  -0.00172550
   0.00817994  -0.00792440   0.01074816  -0.01571750   0.02331777  -0.03742090
   0.03730818  -0.03662670   0.04958935  -0.07273200   0.08728668  -0.08903630
   0.11328720  -0.11305370   0.15987740  -0.25411760   0.43666374  -0.83723450
   0.23147573  -0.23263250   0.31923224  -0.46309120   0.33746420   0.91659382
   0.31613597  -0.24935030   0.17919012   0.36602757  -1.39216000   0.46290674
   0.31084320  -0.03532690  -0.41307200   0.75610368   0.84327465  -1.80347100
   0.24210237   0.32694740  -0.47494000  -0.60471820   0.52596860   2.11577060
   0.12298386   0.41969843   0.17118431  -0.55810490  -1.25860300  -1.65446300
   0.03516757   0.31817544   0.63979396   0.78181900   0.83751331   0.78531829
    1
  -0.45730000
* f-type functions
    6    5
         14.21560000
          5.63450000
          2.23330000
          0.88520000
          0.35090000
          0.13910000
   0.03449541  -0.07796490   0.15327657  -0.35833460   0.66710855
   0.16793185  -0.39359110   0.64450372  -0.54220910  -0.41954900
   0.42354035  -0.45649420  -0.26415270   1.21175540  -0.31672930
   0.44325993   0.31147596  -0.67746640  -0.91050440   1.03355960
   0.21579087   0.49201071   0.56328287  -0.03171330  -1.43951900
   0.05136224   0.16482549   0.34102044   0.59642445   1.07901770
    0
* g-type functions
    4    4
          8.03990000
          3.16010000
          1.24210000
          0.48820000
   0.06441670   0.23374941  -0.62261940  -0.53455850
   0.39422643   0.43638821   0.07673291   0.75288227
   0.54552056  -0.18016960   0.68610126  -0.66399000
   0.26876227  -0.40409970  -0.75812330   0.36172785
    0

/Cu.ANO-L.Pou-Amerigo.21s15p10d6f4g.8s7p6d5f4g.
R. Pou-Amerigo, M. Merchan, I. Nebot-Gil, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 92 (1995) 149-181. doi:10.1007/bf01114922
COPPER (21s,15p,10d,6f,4g) -> [8s,7p,6d,5f,4g]
************************************************************************
* Cu Copper atom                                                       *
* Basic primitive: 20s12p9d from                                       *
*                  H. Partridge, J. Chem. Phys., 90, 1043 (1989)       *
* Augmented: 1s even-tempered continuation with beta=0.4               *
*            3p even-tempered continuation with beta=0.4               *
*            1d even-tempered continuation with beta=0.4               *
*            6f 5 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*            4g 3 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*                                                                      *
* Contraction:   State      Field  Method  Weight                      *
*              Cu 2S(d10s)  0.000   MCPF    0.250                      *
*              Cu 2S(d10s)  0.005   MCPF    0.250                      *
*              Cu 2D(d9s2)  0.000   MCPF    0.250                      *
*              Cu+ 1S(d10)  0.000   MCPF    0.250                      *
*                                                                      *
* Contraction range: 5s3p2d   - 6s5p4d3f2g for SCF                     *
*                    5s4p3d2f - 8s7p6d5f4g for correlation             *
************************************************************************
Options
OrbitalEnergies
EndOptions
    29.0   4
* s-type functions
   21    8
    9148883.00000000
    1369956.00000000
     311782.60000000
      88318.80000000
      28815.53000000
      10403.46000000
       4057.79100000
       1682.97400000
        733.75430000
        333.26770000
        156.43380000
         74.69721000
         33.32262000
         16.62237000
          8.20826000
          3.60940000
          1.68344900
          0.73375700
          0.11020700
          0.03878600
          0.01551400
   0.00000446  -0.00000140   0.00000051  -0.00000010   0.00000023  -0.00000040   0.00000057  -0.00000040
   0.00003469  -0.00001070   0.00000399  -0.00000080   0.00000168  -0.00000290   0.00000453  -0.00000230
   0.00018239  -0.00005610   0.00002101  -0.00000450   0.00000943  -0.00001540   0.00002305  -0.00002080
   0.00077001  -0.00023700   0.00008857  -0.00001870   0.00003654  -0.00006340   0.00010178  -0.00004030
   0.00279764  -0.00086380   0.00032360  -0.00006950   0.00014823  -0.00023880   0.00035130  -0.00036510
   0.00905596  -0.00280830   0.00105019  -0.00022030   0.00042258  -0.00074630   0.00122040  -0.00031450
   0.02644076  -0.00832980   0.00312936  -0.00067530   0.00146999  -0.00232870   0.00335444  -0.00407660
   0.06918041  -0.02245400   0.00843864  -0.00176120   0.00328324  -0.00594890   0.00999049  -0.00081870
   0.15647987  -0.05456570   0.02077023  -0.00452220   0.01014895  -0.01569050   0.02190012  -0.03274590
   0.28318803  -0.11339210   0.04369710  -0.00904300   0.01588483  -0.03044290   0.05407196   0.01311414
   0.34834744  -0.18512600   0.07460186  -0.01670180   0.04068724  -0.05907700   0.07563410  -0.17835700
   0.21729716  -0.15873810   0.06696043  -0.01288420   0.01192632  -0.04167230   0.10389402   0.21183133
   0.03723951   0.16600910  -0.07944260   0.01333561   0.01022034   0.03684613  -0.14016800  -0.65625550
  -0.00258070   0.56808838  -0.38487520   0.09790588  -0.29168770   0.38295335  -0.51266650   2.25317130
   0.00156037   0.39505047  -0.37246620   0.07249738  -0.02332030   0.36386434  -1.35039800  -2.36524200
  -0.00067990   0.05193438   0.31938583  -0.06056550  -0.06553060  -0.83790950   5.69338790  -0.04477630
   0.00026190  -0.00105780   0.70435862  -0.29718440   1.32294460  -1.33277500  -6.48947600   2.02007030
  -0.00008680   0.00123941   0.27996239  -0.10637610  -1.05594100   2.35852380   2.95092940  -1.74255400
   0.00001768  -0.00011970   0.00579101   0.79532714  -1.23087800  -1.82846500  -0.33495160   1.87734720
  -0.00001290   0.00008857  -0.00266520   0.30758247   1.65313940   1.20324560  -0.67362260  -3.24805400
   0.00000485  -0.00003400   0.00095219   0.01483550  -0.20155160   0.04477909   0.84894095   2.28299140
    4
 -32.879173e1 -40.81804000  -5.01126000  -0.23795000
* p-type functions
   15    7
       9713.25300000
       2300.88900000
        746.77060000
        284.68060000
        119.99990000
         54.07386000
         25.37321000
         12.20962000
          5.75742100
          2.67340200
          1.18683500
          0.48159300
          0.19263700
          0.07705500
          0.03082200
   0.00017835  -0.00006580   0.00002261  -0.00004700   0.00004948  -0.00004950   0.00008517
   0.00156858  -0.00057820   0.00019824  -0.00041560   0.00048665  -0.00057500   0.00066685
   0.00875434  -0.00325660   0.00112044  -0.00232770   0.00245539  -0.00245860   0.00423607
   0.03608107  -0.01357800   0.00466570  -0.00979250   0.01150309  -0.01366260   0.01591961
   0.11299149  -0.04399850   0.01521575  -0.03165890   0.03321540  -0.03298940   0.05943582
   0.25664086  -0.10418090   0.03608110  -0.07599310   0.09109846  -0.11166080   0.12028889
   0.38518747  -0.16768020   0.05925497  -0.12447490   0.12482896  -0.11756650   0.32080284
   0.30288080  -0.10714430   0.03709927  -0.09551570   0.19632255  -0.31552630   0.05813442
   0.08164476   0.20500459  -0.09339450   0.27896165  -0.67869170   1.38184500  -2.24967500
   0.00338807   0.48293963  -0.22900240   0.62767588  -0.49863740  -0.71329270   3.46521320
   0.00157696   0.39022329  -0.12323690  -0.32615190   1.47981130  -1.10903600  -2.38153200
  -0.00022080   0.09437742   0.23118244  -1.00099000  -0.46342030   1.92129990   0.45280515
   0.00021195  -0.00154480   0.60241087   0.33267140  -0.93055400  -1.20000300   1.12676700
  -0.00008950   0.00264387   0.30652419   0.54404043   0.69217014  -0.31796600  -1.81213600
   0.00002842  -0.00072740   0.01307756   0.05542395   0.36845722   0.93548985   1.16594150
    2
 -35.61699000  -3.32415000
* d-type functions
   10    6
        249.34970000
         74.63837000
         28.37641000
         11.94893000
          5.31764600
          2.36441700
          1.01238600
          0.40677300
          0.14733100
          0.05893200
   0.00126396  -0.00155310   0.00186923  -0.00233540   0.00250414  -0.00570250
   0.01063885  -0.01311300   0.01612505  -0.02290710   0.03579454  -0.03491120
   0.04720950  -0.05895500   0.07240919  -0.09394700   0.11182291  -0.24945710
   0.13793658  -0.17782060   0.23628626  -0.37675940   0.69073690  -0.91310100
   0.26266752  -0.32716810   0.38296124  -0.32713530  -0.47089260   2.14261590
   0.33241634  -0.24099740  -0.16793750   0.95009693  -0.93387540  -1.98874600
   0.30779901   0.18960651  -0.68246030  -0.04648790   1.66534460   0.90197359
   0.21664096   0.50340449   0.08869927  -0.88560220  -1.12144000   0.19401292
   0.08407717   0.30703593   0.60278641   0.54282853   0.03505111  -0.91730500
   0.00504377   0.03253971   0.14438102   0.32722396   0.52780363   0.85028700
    1
  -0.49074000
* f-type functions
    6    5
         15.43330000
          6.11720000
          2.42460000
          0.96100000
          0.38090000
          0.15100000
   0.03901817  -0.08437670   0.16168310  -0.38550350   0.77156950
   0.18754340  -0.41437330   0.63482614  -0.50202000  -0.60942220
   0.44621247  -0.41723570  -0.31075760   1.20543550  -0.11620230
   0.42647410   0.35876802  -0.63188760  -0.94520500   0.87171529
   0.19155912   0.47774575   0.56734018   0.01430769  -1.33311800
   0.04165182   0.15423758   0.35009788   0.57235196   1.03088110
    0
* g-type functions
    4    4
          8.72860000
          3.43080000
          1.34850000
          0.53000000
   0.06945941  -0.37915410   0.74921737  -0.95084290
   0.43698748  -0.59662630  -0.21698810   1.38380490
   0.54147510   0.36137813  -0.67135610  -1.27838100
   0.21743974   0.51267837   0.87570242   0.73274226
    0

/Zn.ANO-L.Pou-Amerigo.21s15p10d6f4g.8s7p6d5f4g.
R. Pou-Amerigo, M. Merchan, I. Nebot-Gil, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 92 (1995) 149-181. doi:10.1007/bf01114922
ZINC (21s,15p,10d,6f,4g) -> [8s,7p,6d,5f,4g]
************************************************************************
* Zn Zinc atom                                                         *
* Basic primitive: 20s12p9d from                                       *
*                  H. Partridge, J. Chem. Phys., 90, 1043 (1989)       *
* Augmented: 1s even-tempered continuation with beta=0.4               *
*            3p even-tempered continuation with beta=0.4               *
*            1d even-tempered continuation with beta=0.4               *
*            6f 5 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*            4g 3 optimized with respect to MCPF energy, 1 diffuse     *
*               added as an even-tempered continuation.                *
*                                                                      *
* Contraction:   State      Field  Method  Weight                      *
*              Zn 1S(d10s2) 0.000   MCPF    0.333                      *
*              Zn 1S(d10s2) 0.020   MCPF    0.333                      *
*              Zn+ 1S(d10s) 0.000   MCPF    0.333                      *
*                                                                      *
* Contraction range: 5s3p2d   - 6s5p4d3f2g for SCF                     *
*                    5s4p3d2f - 8s7p6d5f4g for correlation             *
************************************************************************
Options
OrbitalEnergies
EndOptions
    30.0   4
* s-type functions
   21    8
    5820021.00000000
     871523.40000000
     198335.00000000
      56176.31000000
      18325.82000000
       6614.95500000
       2579.19900000
       1068.84900000
        465.10450000
        210.41300000
         97.61629000
         44.38020000
         21.42308000
         10.30891000
          4.55364500
          2.13282100
          0.92969700
          0.19214700
          0.08759500
          0.03770200
          0.01508100
   0.00000855  -0.00000260   0.00000100  -0.00000020   0.00000034  -0.00000070   0.00000085  -0.00000110
   0.00006647  -0.00002050   0.00000775  -0.00000170   0.00000267  -0.00000590   0.00000622  -0.00000870
   0.00034950  -0.00010800   0.00004076  -0.00000910   0.00001374  -0.00003010   0.00003546  -0.00004410
   0.00147383  -0.00045590   0.00017228  -0.00003860   0.00005977  -0.00013300   0.00013451  -0.00019630
   0.00533833  -0.00165780   0.00062593  -0.00013990   0.00020945  -0.00045660   0.00055909  -0.00066710
   0.01712708  -0.00536850   0.00203291  -0.00045590   0.00071124  -0.00158960   0.00153646  -0.00235740
   0.04894085  -0.01571240   0.00595456  -0.00133090   0.00197453  -0.00428140   0.00550532  -0.00624260
   0.12179340  -0.04122570   0.01576693  -0.00354270   0.00559086  -0.01258460   0.01138318  -0.01879910
   0.24765887  -0.09406410   0.03637539  -0.00814300   0.01189243  -0.02556620   0.03591618  -0.03741000
   0.35824324  -0.17199640   0.06892730  -0.01561320   0.02539154  -0.05827530   0.04414834  -0.08931210
   0.27981702  -0.19585000   0.08237327  -0.01853580   0.02475171  -0.05034830   0.10815451  -0.07339220
   0.06857579   0.04532437  -0.02009310   0.00413203   0.00312857  -0.02002860  -0.10561150  -0.05598320
  -0.00131270   0.52445222  -0.32530080   0.07898844  -0.14558310   0.36143707  -0.11899220   0.69639944
   0.00191627   0.50060099  -0.46020860   0.11413160  -0.14872710   0.36964339  -1.30557700   1.27778720
  -0.00087910   0.08947690   0.16339078  -0.04867670   0.03235682  -0.27535280   3.03037740  -5.79535100
   0.00037780  -0.00217430   0.72999364  -0.25153870   0.66517083  -2.09870600  -1.56620700   7.35018950
  -0.00014330   0.00213747   0.37667470  -0.23375600  -0.09666510   2.46453010  -0.95620310  -4.35362100
   0.00005411  -0.00046910   0.01508169   0.43801715  -1.65751300  -0.10951070   3.60138580   2.53567550
  -0.00004910   0.00043030  -0.00822400   0.55217385   0.75108879  -1.76128800  -4.88296500  -1.74265200
   0.00002471  -0.00021650   0.00344838   0.16985732   0.73491842   1.53073600   2.36980120  -0.38523160
  -0.00000670   0.00005905  -0.00087620   0.00249733   0.07323193  -0.07747830  -0.03405900   0.89112169
    4
 -35.330398e1 -44.36188000  -5.63777000  -0.29249000
* p-type functions
   15    7
      10684.58000000
       2530.90300000
        821.48200000
        313.25220000
        132.10940000
         59.58751000
         28.00399000
         13.50425000
          6.40188100
          2.98576900
          1.33690200
          0.54996100
          0.21998400
          0.08799400
          0.03519800
   0.00017142  -0.00006410   0.00001678  -0.00003600   0.00004200  -0.00005340   0.00007282
   0.00150872  -0.00056380   0.00014822  -0.00031830   0.00037878  -0.00055550   0.00073032
   0.00843682  -0.00318040   0.00083377  -0.00178740   0.00208761  -0.00265780   0.00363325
   0.03489609  -0.01331030   0.00350653  -0.00753410   0.00897607  -0.01321770   0.01751552
   0.10993586  -0.04336340   0.01141348  -0.02449690   0.02862580  -0.03621650   0.05048068
   0.25205643  -0.10373190   0.02756400  -0.05930450   0.07089196  -0.10721320   0.14163669
   0.38327840  -0.16900020   0.04514618  -0.09830750   0.11494808  -0.13684650   0.23802269
   0.30782595  -0.11286720   0.03039094  -0.07579650   0.11746305  -0.28150200   0.29538670
   0.08651147   0.19638977  -0.06646510   0.18815812  -0.33659140   1.01539170  -2.38916100
   0.00408215   0.48297949  -0.16153150   0.46903915  -0.64064250   0.25916244   2.97771040
   0.00158570   0.39676171  -0.13642790  -0.03999370   0.74529538  -1.95908200  -1.23898700
  -0.00023230   0.09411042   0.11657871  -0.81822090   0.70157209   1.69317510  -0.86403040
   0.00019582  -0.00153060   0.54683596  -0.22067370  -1.15028400  -0.04944150   2.10218020
  -0.00008780   0.00254793   0.41490791   0.53820718  -0.05687820  -1.23518600  -2.15106500
   0.00002741  -0.00067970   0.07954381   0.36284882   0.84283006   1.00611850   1.08537290
    2
 -38.92494000  -3.83931000
* d-type functions
   10    6
        305.01150000
         91.40003000
         34.95829000
         14.83697000
          6.68074800
          3.02902600
          1.33483900
          0.55860800
          0.21174300
          0.08469700
   0.00102503  -0.00138600   0.00152391  -0.00179460   0.00178499  -0.00182560
   0.00884669  -0.01201630   0.01363618  -0.01752960   0.02611879  -0.03485880
   0.04068306  -0.05596400   0.06257503  -0.07605900   0.08325371  -0.09373970
   0.12323994  -0.17605410   0.21698562  -0.30775460   0.52970352  -0.83688540
   0.24793304  -0.34913890   0.40159133  -0.40478260  -0.04624890   1.19455540
   0.33086676  -0.27309330  -0.16958970   0.86315706  -1.22731000  -0.16757340
   0.31736352   0.21104719  -0.70399180   0.12409936   1.44555740  -1.14560800
   0.22301484   0.51804313   0.13084194  -0.93622630  -0.44625940   1.79902380
   0.08092209   0.26108135   0.59401254   0.39627951  -0.72163950  -1.78877200
   0.00354324   0.02024492   0.18018634   0.51834504   0.92500468   1.06945330
    1
  -0.78256000
* f-type functions
    6    5
         16.57440000
          6.56950000
          2.60390000
          1.03210000
          0.40910000
          0.16210000
   0.04557151  -0.09412220   0.18733416  -0.42218380   0.74333209
   0.21536031  -0.43664550   0.65450531  -0.39617700  -0.62344920
   0.46964768  -0.37405330  -0.44338020   1.17297040  -0.04339050
   0.40406899   0.42861552  -0.54524920  -1.07698300   0.77437899
   0.16303648   0.47241447   0.66776628   0.21013259  -1.28830900
   0.02361615   0.09871225   0.24004604   0.51814434   1.09101730
    0
* g-type functions
    4    4
          9.37400000
          3.68440000
          1.44820000
          0.56920000
  -0.09254470   0.42041748  -0.75813960   0.92394269
  -0.47648320   0.55152456   0.30277636  -1.37279600
  -0.50522730  -0.42970440   0.60463461   1.30448750
  -0.19574530  -0.47388660  -0.87730740  -0.76219370
    0
