Manganese (V, 2p frozen)
 
BASIS
1S  19.00
2S   8.95
2P  10.40

3S   3.45
3S   5.30
3P   5.950
3P   4.000
3P   2.700
3D   1.32
3D   2.85
3D   5.95
4S   0.90
4S   1.35
4S   2.15
4P   1.35

4F   2.80
END
 
CORE    2  1  0  0
 1S   29.65
 1S   23.00
 2S    9.65
 2S    6.75
 3S    5.65
 3S    3.50
 4S    0.88
 4S    1.36
 4S    2.20
 2P   13.80
 2P    8.70
 3P    4.95
 3P    2.95
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
   .131456965655731608E+03  -.129556795102277579E+04  -.232188442635287799E+03
   .180049029469331756E+06   .282907417538390509E+05  -.967128275586102682E+05
   .925568189891566180E+04   .833152980939486224E+04   .446012047682677633E+03
   .558433165128007136E+01   .135440938466082406E+01   .814749159294382019E-01
   .526009043114215955E-02   .568880783707294395E-05   .000000000000000000E+00
/
END