Iron (QZ, all electron, 13S 8P 5D 3F)
 
BASIS
        1S  130.000
        1S   33.800
        1S   24.450
        2S   21.900
        2S   11.250
        2S    8.850
        3S    7.050
        3S    4.750
        3S    3.350
        4S    2.700
        4S    1.800
        4S    1.200
        4S     .830
        2P   22.000
        2P   12.400
        2P    8.750
        3P    6.250
        3P    4.150
        3P    2.800
4P    2.000
4P    1.000
        3D   11.100
        3D    5.950
        3D    3.400
        3D    1.900
        3D    1.100
4F    4.000
4F    2.000
4F    1.000
END
 
CORE    0  0  0  0
END
 
DESCRIPTION

0/
END
 
FIT
 1S 260.00
 1S 198.59
 1S 151.69
 1S 115.87
 1S  88.50
 1S  67.60
 1S  41.89
 2S  48.00
 2S  33.16
 3S  33.57
 3S  24.56
 3S  17.97
 4S  17.37
 4S  13.19
 4S  10.01
 5S   9.46
 5S   7.38
 5S   5.75
 6S   5.37
 6S   4.27
 6S   3.39
 7S   3.15
 7S   2.54
 7S   2.05
 7S   1.66
 2P  46.20
 2P  28.87
 3P  26.61
 3P  17.89
 4P  15.96
 4P  11.25
 5P   9.90
 5P   7.22
 6P   6.31
 6P   4.72
 7P   4.12
 7P   3.14
 7P   2.40
 7P   1.83
 3D  37.20
 3D  23.45
 4D  19.68
 4D  13.11
 5D  10.93
 5D   7.57
 6D   6.30
 6D   4.50
 7D   3.75
 7D   2.74
 7D   2.00
 4F  35.80
 4F  21.57
 5F  16.37
 5F  10.35
 6F   7.92
 6F   5.20
 7F   4.00
 7F   2.71
 7F   1.83
 5G  14.40
 5G   8.77
 6G   6.47
 6G   4.10
 7G   3.06
 7G   2.00
END
 
FITCOEFFICIENTS
/
END