Manganese (II, 2p frozen)
 
BASIS
1S  19.80
2S   8.60
2P  10.40

3S   3.50
3S   5.50
3P   3.00
3P   4.90
3D   1.32
3D   2.85
3D   5.95
4S   1.00
4S   1.80
4P   1.35
END
 
CORE    2  1  0  0
 1S        29.6500
 1S        23.0000
 2S         9.6500
 2S         6.7500
 3S         5.6500
 3S         3.5000
 4S         0.8800
 4S         1.3600
 4S         2.2000
 2P        13.8000
 2P         8.7000
 3P         4.9500
 3P         2.9500
END
 
DESCRIPTION
    .32812736478534848539E+00   .67163117591017096331E+00
    .48772167564980588306E-01  -.63397615657635977837E-01
    .35873368270834080085E-01  -.14240737376620243512E-01
    .14290877819724586827E-02  -.38346233237523705099E-02
    .59693368274400995105E-02
    .85970826926584545391E-01  -.47004025717418751462E+00
    .10224766505367888225E+01   .98408601114478147509E-01
   -.47679215096342368596E-01   .24501811865036870336E-01
   -.30924729526469242093E-02   .80903335391655280956E-02
   -.11932317548030212800E-01
    .35392547394500029068E+00   .67397726115414502424E+00
    .30160648167363514512E-02  -.11191983957391791246E-02

0/
END
 
FIT
 1S  39.60
 2S  37.89
 3S  33.37
 4S  28.63
 4S  19.45
 5S  16.54
 5S  11.66
 6S   9.89
 6S   7.17
 6S   5.20
 7S   4.41
 7S   3.27
 7S   2.43
 7S   1.80
 2P  30.20
 3P  19.43
 4P  12.72
 5P   8.50
 6P   5.79
 6P   3.39
 7P   2.35
 3D  25.75
 4D  16.30
 5D  10.57
 6D   7.00
 6D   4.00
 7D   2.70
 4F  16.35
 5F   9.36
 5F   4.51
 6F   2.67
 5G  10.40
 5G   5.56
 5G   2.97
END
 
FITCOEFFICIENTS
    .136010625444894E+03   -.145609080314495E+04    .123465718962528E+04
    .174763630722955E+06    .288366930997562E+05   -.970766708206492E+05
    .923365363904744E+04    .837983448837672E+04    .437859900288018E+03
    .684184072622833E+01    .102665180778511E+01    .109400101497702E+00
    .378200271646825E-02    .395118484449550E-04    .000000000000000E+00
/
END