NICKEL K(2)L(8)3S(2)3P(6)4S(2)3D(8), 3F
CHARGE = 28.000000
SYMMETRY SPECIES S P D
NUMBER OF BASIS FUNCTIONS 20 15 9
NUMBER OF CLOSED SHELLS 4 2 0
NUMBER OF OPEN SHELLS 0 0 1
OPEN SHELL OCCUPATION NUMBER 0 0 8
*** FINAL SCF RESULTS ***
E = -1519.130128039
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S
BASIS/ORB.ENERGY -308.7933600 -38.6234370 -5.0019802 -0.2807395
S 6.8573180D+07 0.0000260 -0.0000081 -0.0000030 -0.0000006
S 7.3712920D+06 0.0000998 -0.0000311 -0.0000117 -0.0000024
S 1.3017820D+06 0.0003054 -0.0000953 -0.0000358 -0.0000075
S 2.9870850D+05 0.0008369 -0.0002615 -0.0000983 -0.0000205
S 8.2337350D+04 0.0021606 -0.0006764 -0.0002542 -0.0000531
S 2.5855370D+04 0.0055379 -0.0017444 -0.0006563 -0.0001371
S 8.9647770D+03 0.0143243 -0.0045411 -0.0017083 -0.0003571
S 3.3641940D+03 0.0371909 -0.0120448 -0.0045487 -0.0009504
S 1.3425840D+03 0.0924011 -0.0309554 -0.0117184 -0.0024534
S 5.6456870D+02 0.1998761 -0.0732205 -0.0280904 -0.0058750
S 2.4827240D+02 0.3316830 -0.1434797 -0.0560716 -0.0118066
S 1.1330310D+02 0.3316712 -0.2023988 -0.0832634 -0.0175098
S 5.3056160D+01 0.1346983 -0.0661230 -0.0280622 -0.0061809
S 2.2811340D+01 0.0102959 0.4213734 0.2314643 0.0514351
S 1.0677930D+01 -0.0001755 0.5882660 0.5031054 0.1157802
S 4.8803330D+00 0.0000809 0.1533045 0.0146660 0.0015061
S 2.1078690D+00 -0.0000776 0.0029894 -0.7533037 -0.2287379
S 8.6988690D-01 0.0000019 0.0016054 -0.4606874 -0.2485098
S 1.3673590D-01 -0.0000018 -0.0001215 -0.0119143 0.5921330
S 4.7892400D-02 0.0000008 0.0000556 0.0035431 0.5491593
P 2P 3P
BASIS/ORB.ENERGY -33.0825750 -3.3010617
P 5.1568330D+04 0.0000561 0.0000207
P 8.8048630D+03 0.0003258 0.0001206
P 2.3754010D+03 0.0016749 0.0006212
P 8.0317640D+02 0.0076613 0.0028577
P 3.1153830D+02 0.0292808 0.0110487
P 1.3346270D+02 0.0889327 0.0344343
P 6.1712680D+01 0.2032733 0.0817895
P 3.0027180D+01 0.3314573 0.1404709
P 1.5147230D+01 0.3367252 0.1458349
P 7.8246240D+00 0.1626821 -0.0173033
P 4.1428990D+00 0.0284992 -0.2668994
P 2.3196840D+00 0.0031770 -0.3315429
P 1.3814930D+00 0.0003639 -0.3109615
P 7.3143950D-01 0.0003603 -0.1899092
P 3.1313330D-01 0.0000238 -0.0267312
D 3D
BASIS/ORB.ENERGY -0.6893488
D 2.8345150D+02 0.0009097
D 8.0785470D+01 0.0082087
D 3.0181000D+01 0.0382133
D 1.2622230D+01 0.1172322
D 5.6207420D+00 0.2426282
D 2.5242870D+00 0.3348851
D 1.1048470D+00 0.3298841
D 4.6236340D-01 0.2218121
D 1.7701300D-01 0.0728789