Scandium (QZ, all electron, 13S 8P 5D 3F)
 
BASIS
        1S   98.000
        1S   26.300
        1S   19.350
        2S   17.350
        2S    8.950
        2S    6.850
        3S    7.700
        3S    3.750
        3S    2.600
        4S    2.150
        4S    1.500
        4S    1.050
        4S     .740
        2P   16.500
        2P    9.500
        2P    6.550
        3P    5.150
        3P    3.350
        3P    2.150
4P    2.000
4P    1.000
        3D    7.950
        3D    4.100
        3D    2.250
        3D    1.200
        3D     .710
4F    4.000
4F    2.000
4F    1.000
END
 
CORE    0  0  0  0
END
 
DESCRIPTION

0/
END
 
FIT
 1S 196.00
 1S 150.66
 1S 115.81
 1S  89.02
 1S  68.43
 1S  52.60
 1S  32.99
 2S  38.24
 2S  26.66
 3S  27.23
 3S  20.08
 3S  14.81
 4S  14.42
 4S  11.02
 4S   8.43
 5S   8.01
 5S   6.29
 5S   4.93
 6S   4.63
 6S   3.70
 6S   2.96
 7S   2.76
 7S   2.24
 7S   1.82
 7S   1.48
 2P  35.80
 2P  22.87
 3P  21.52
 3P  14.74
 4P  13.38
 4P   9.59
 5P   8.57
 5P   6.34
 6P   5.63
 6P   4.26
 7P   3.77
 7P   2.92
 7P   2.25
 7P   1.74
 3D  28.55
 3D  18.60
 4D  16.11
 4D  11.04
 5D   9.47
 5D   6.73
 6D   5.75
 6D   4.20
 7D   3.59
 7D   2.68
 7D   2.00
 4F  28.30
 4F  17.52
 5F  13.63
 5F   8.84
 6F   6.91
 6F   4.64
 7F   3.65
 7F   2.52
 7F   1.74
 5G  11.50
 5G   7.36
 6G   5.68
 6G   3.77
 7G   2.93
 7G   2.00
END
 
FITCOEFFICIENTS
/
END