Iron (II, 2p frozen)
 
BASIS
1S  20.30
2S   9.05
2P  10.90

3S   3.70
3S   5.80
3P   3.15
3P   5.15
3D   1.40
3D   3.05
3D   6.40
4S   1.05
4S   1.90
4P   1.39
END
 
CORE    2  1  0  0
 1S        30.4500
 1S        23.9000
 2S        10.0500
 2S         6.3500
 3S         6.1000
 3S         3.7000
 4S         0.9000
 4S         1.4000
 4S         2.3000
 2P        14.6000
 2P         9.2000
 3P         5.2000
 3P         3.1000
END
 
DESCRIPTION
    .36192266398710098985E+00   .63680979384668456866E+00
    .54195890622947419379E-01  -.88785570960143514463E-01
    .60652511122246573205E-01  -.16104884376681109781E-01
    .15300041328752331249E-02  -.40365325463932984554E-02
    .63741602926594490008E-02
    .89768049727271162497E-01  -.47737781637671344859E+00
    .10555513067973438801E+01   .73992006531672663283E-01
   -.52572385663977851122E-01   .20849605803622772715E-01
   -.26246173487387996527E-02   .67319975631636658556E-02
   -.99741187017448780516E-02
    .33569888749914128523E+00   .69183726361712050146E+00
    .19856413851412060487E-02  -.43582994920330134486E-03

0/
END
 
FIT
 1S  40.60
 2S  38.73
 3S  34.02
 4S  29.12
 4S  19.75
 5S  16.76
 5S  11.80
 6S   9.98
 6S   7.23
 6S   5.24
 7S   4.43
 7S   3.28
 7S   2.43
 7S   1.80
 2P  31.20
 3P  20.09
 4P  13.17
 5P   8.81
 6P   6.00
 6P   3.52
 7P   2.44
 3D  26.70
 4D  16.88
 5D  10.93
 6D   7.23
 6D   4.12
 7D   2.78
 4F  17.30
 5F   9.86
 5F   4.74
 6F   2.79
 5G  11.10
 5G   5.91
 5G   3.15
END
 
FITCOEFFICIENTS
    .154203339618649E+03   -.176240456433262E+04    .261910707125798E+04
    .237163018932094E+06    .231912352573848E+05   -.113710462726859E+06
    .155212310692931E+05    .865476532952307E+04    .480527497669632E+03
    .517103555967710E+01    .147787869768459E+01    .950752309844018E-01
    .381888422587997E-02    .219220337707957E-04    .000000000000000E+00
/
END