Molybdenum (QZ, all electron, 17S 12P 7D 3F)
 
BASIS
        1S  660.000
        1S  155.000
        1S   57.000
        1S   41.000
        2S   35.200
        2S   19.800
        2S   16.000
        3S   13.650
        3S    9.300
        3S    7.150
        4S    5.300
        4S    3.750
        4S    2.750
        5S    2.800
        5S    1.800
        5S    1.200
        5S     .810
        2P  145.000
        2P   52.500
        2P   22.700
        2P   16.150
        3P   11.900
        3P    8.600
        3P    6.500
        4P    5.150
        4P    3.500
        4P    2.400
5P    2.000
5P    1.000
        3D   15.150
        3D    8.950
        3D    5.750
        4D    4.250
        4D    2.600
        4D    1.500
        4D     .870
4F    4.000
4F    2.000
4F    1.000
END

CORE    0 0 0 0
END

DESCRIPTION

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END

 
FIT
 1S   1320.000
 1S   1005.515
 1S    765.955
 1S    583.469
 1S    444.459
 1S    338.569
 1S    257.906
 1S    196.461
 1S    149.655
 1S    114.000
 1S  73.55
 2S  87.66
 2S  62.46
 3S  65.14
 3S  48.93
 3S  36.75
 4S  36.41
 4S  28.29
 4S  21.98
 5S  21.23
 5S  16.90
 5S  13.45
 6S  12.81
 6S  10.39
 6S   8.42
 7S   7.95
 7S   6.54
 7S   5.38
 8S   5.05
 8S   4.20
 8S   3.50
 8S   2.91
 9S   2.73
 9S   2.29
 9S   1.93
 9S   1.62
 2P  79.70
 2P  48.55
 3P  43.70
 3P  28.76
 4P  25.15
 5P  21.74
 6P  18.71
 6P  13.77
 7P  11.85
 7P   8.91
 8P   7.67
 8P   5.87
 8P   4.49
 9P   3.87
 9P   3.00
 9P   2.33
 9P   1.81
 3D  65.95
 3D  41.19
 4D  34.28
 5D  28.37
 5D  19.50
 6D  16.13
 6D  11.43
 7D   9.47
 7D   6.87
 7D   4.99
 8D   4.15
 8D   3.07
 8D   2.27
 8D   1.68
 4F  59.40
 5F  46.87
 5F  30.78
 6F  24.39
 6F  16.57
 7F  13.20
 7F   9.21
 7F   6.43
 8F   5.15
 8F   3.67
 8F   2.62
 8F   1.87
 5G  25.10
 5G  15.84
 6G  12.08
 6G   7.91
 7G   6.09
 7G   4.11
 8G   3.18
 8G   2.20
END

FITCOEFFICIENTS
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END