GALLIUM K(2)L(8)M(18)4S(2)4P(1), 2P
CHARGE = 31.000000
SYMMETRY SPECIES S P D
NUMBER OF BASIS FUNCTIONS 20 15 9
NUMBER OF CLOSED SHELLS 4 2 1
NUMBER OF OPEN SHELLS 0 1 0
OPEN SHELL OCCUPATION NUMBER 0 1 0
*** FINAL SCF RESULTS ***
E = -1942.234245329
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S
BASIS/ORB.ENERGY -383.7120900 -49.2844420 -6.5784987 -0.4336555
S 7.0959040D+07 0.0000342 -0.0000108 -0.0000041 -0.0000010
S 7.6033240D+06 0.0001322 -0.0000419 -0.0000160 -0.0000038
S 1.3192400D+06 0.0004065 -0.0001289 -0.0000494 -0.0000116
S 3.0267050D+05 0.0010998 -0.0003494 -0.0001338 -0.0000314
S 8.3251810D+04 0.0028477 -0.0009073 -0.0003476 -0.0000816
S 2.5933120D+04 0.0072891 -0.0023366 -0.0008952 -0.0002097
S 8.9765470D+03 0.0185878 -0.0060205 -0.0023125 -0.0005434
S 3.3720960D+03 0.0474969 -0.0157396 -0.0060516 -0.0014160
S 1.3486200D+03 0.1145311 -0.0397271 -0.0154025 -0.0036299
S 5.6755490D+02 0.2374832 -0.0912870 -0.0357422 -0.0083649
S 2.4818870D+02 0.3603580 -0.1711823 -0.0693059 -0.0164880
S 1.1167490D+02 0.2970835 -0.2010901 -0.0851883 -0.0199359
S 4.9241650D+01 0.0762254 0.0484820 0.0230473 0.0046788
S 2.3275170D+01 -0.0024658 0.5419210 0.3456394 0.0891668
S 1.1081480D+01 0.0026103 0.4849909 0.4541423 0.1156672
S 4.8993520D+00 -0.0012799 0.0798118 -0.2071498 -0.0567444
S 2.3008210D+00 0.0005840 -0.0013594 -0.7301112 -0.2832209
S 1.0265820D+00 -0.0002025 0.0016337 -0.3481188 -0.2282127
S 2.0922290D-01 0.0000412 -0.0001700 -0.0084651 0.6370489
S 7.3485840D-02 -0.0000158 0.0000634 0.0019023 0.5336434
P 2P 3P 4P
BASIS/ORB.ENERGY -42.7397690 -4.5228043 -0.2068067
P 4.9597560D+04 0.0000873 0.0000332 0.0000054
P 8.5216950D+03 0.0005049 0.0001927 0.0000314
P 2.3038990D+03 0.0025748 0.0009825 0.0001613
P 7.8303950D+02 0.0114701 0.0044247 0.0007193
P 3.0554940D+02 0.0423837 0.0165364 0.0027250
P 1.3116530D+02 0.1232749 0.0498933 0.0081366
P 6.0060420D+01 0.2659932 0.1119355 0.0186542
P 2.8478480D+01 0.3855091 0.1743345 0.0285383
P 1.3712750D+01 0.2885151 0.0911038 0.0151787
P 6.3599160D+00 0.0700693 -0.2546504 -0.0525519
P 2.9038490D+00 0.0019047 -0.5163409 -0.0983409
P 1.2702450D+00 0.0013936 -0.3459267 -0.0917331
P 4.8107990D-01 -0.0002126 -0.0474342 0.1194578
P 1.5285910D-01 0.0000956 0.0014855 0.5446110
P 4.8563430D-02 -0.0000310 -0.0007428 0.4960748
D 3D
BASIS/ORB.ENERGY -1.1646013
D 4.5791230D+02 0.0006287
D 1.2854330D+02 0.0058931
D 4.8135830D+01 0.0297590
D 2.0161900D+01 0.0985940
D 9.0373380D+00 0.2209937
D 4.1220690D+00 0.3290663
D 1.8356450D+00 0.3444087
D 7.7932260D-01 0.2400633
D 2.9996760D-01 0.0768475