Krypton (QZ, all electron, 15S 11P 6D 3F)
 
BASIS
        1S  540.000
        1S  140.000
        1S   49.100
        1S   34.800
        2S   31.100
        2S   16.150
        2S   12.900
        3S   12.150
        3S    7.550
        3S    5.550
        4S    5.000
        4S    3.650
        4S    2.500
        4S    1.780
4S    0.900
        2P  115.000
        2P   38.350
        2P   18.650
        2P   13.250
        3P   10.300
        3P    6.950
        3P    4.950
        4P    4.050
        4P    2.800
        4P    1.800
        4P    1.200
        3D   18.000
        3D    9.900
        3D    5.800
        3D    3.600
4D    2.400
4D    1.200
4F    4.000
4F    2.000
4F    1.000
END
 
CORE    0  0  0  0
END
 
DESCRIPTION

0/
END
 
FIT
 1S 1080.0
 1S 827.41
 1S 633.90
 1S 485.65
 1S 372.06
 1S 285.05
 1S 218.38
 1S 167.31
 1S 128.18
 1S  98.20
 1S  61.53
 2S  71.25
 2S  49.63
 3S  50.66
 3S  37.33
 3S  27.51
 4S  26.76
 4S  20.45
 4S  15.62
 5S  14.85
 5S  11.64
 5S   9.13
 6S   8.57
 6S   6.85
 6S   5.48
 7S   5.10
 7S   4.14
 7S   3.36
 7S   2.73
 7S   2.22
 7S   1.80
 2P  67.75
 2P  42.44
 3P  39.21
 3P  26.42
 4P  23.62
 4P  16.68
 5P  14.71
 5P  10.74
 6P   9.41
 6P   7.05
 7P   6.16
 7P   4.71
 7P   3.60
 7P   2.75
 7P   2.10
 3D  59.00
 3D  36.87
 4D  30.71
 4D  20.29
 5D  16.80
 5D  11.55
 6D   9.56
 6D   6.78
 7D   5.62
 7D   4.08
 7D   2.96
 7D   2.15
 4F  51.60
 4F  31.86
 5F  24.74
 5F  16.00
 6F  12.49
 6F   8.37
 7F   6.58
 7F   4.53
 7F   3.12
 7F   2.15
 5G  21.15
 5G  13.47
 6G  10.36
 6G   6.84
 7G   5.30
 7G   3.60
 7G   2.45
END
 
FITCOEFFICIENTS
/
END