Manganese (QZ, all electron, 13S 8P 5D 3F)
 
BASIS
        1S  120.000
        1S   31.950
        1S   23.400
        2S   20.850
        2S   10.850
        2S    8.450
        3S    6.600
        3S    4.500
        3S    3.200
        4S    2.700
        4S    1.800
        4S    1.200
        4S     .820
        2P   20.850
        2P   11.850
        2P    8.300
        3P    5.950
        3P    4.000
        3P    2.700
4P    2.000
4P    1.000
        3D   10.550
        3D    5.650
        3D    3.200
        3D    1.750
        3D    1.040
4F    4.000
4F    2.000
4F    1.000
END
 
CORE    0  0  0  0
END
 
DESCRIPTION

0/
END
 
FIT
 1S 240.00
 1S 184.19
 1S 141.36
 1S 108.49
 1S  83.26
 1S  63.90
 1S  39.75
 2S  45.72
 2S  31.68
 3S  32.17
 3S  23.60
 3S  17.31
 4S  16.77
 4S  12.76
 4S   9.71
 5S   9.19
 5S   7.18
 5S   5.61
 6S   5.25
 6S   4.18
 6S   3.33
 7S   3.09
 7S   2.50
 7S   2.03
 7S   1.64
 2P  43.80
 2P  27.51
 3P  25.48
 3P  17.21
 4P  15.41
 4P  10.90
 5P   9.63
 5P   7.04
 6P   6.18
 6P   4.64
 7P   4.06
 7P   3.11
 7P   2.38
 7P   1.82
 3D  35.15
 3D  22.31
 4D  18.86
 4D  12.64
 5D  10.60
 5D   7.38
 6D   6.18
 6D   4.43
 7D   3.72
 7D   2.73
 7D   2.00
 4F  33.95
 4F  20.60
 5F  15.73
 5F  10.02
 6F   7.70
 6F   5.09
 7F   3.94
 7F   2.68
 7F   1.82
 5G  13.85
 5G   8.51
 6G   6.32
 6G   4.04
 7G   3.03
 7G   2.00
END
 
FITCOEFFICIENTS
/
END