VANADIUM K(2)L(8)3S(2)3P(6)4S(2)3D(3), 4F
CHARGE = 23.000000
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 3
*** FINAL SCF RESULTS ***
E = -948.151500025
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S
BASIS/ORB.ENERGY -202.8700000 -24.1553880 -3.2240909 -0.2325207
S 1.6668050D+07 0.0000418 -0.0000126 -0.0000046 -0.0000010
S 1.8566050D+06 0.0001594 -0.0000480 -0.0000174 -0.0000040
S 3.4119260D+05 0.0004899 -0.0001478 -0.0000535 -0.0000122
S 8.2515820D+04 0.0013690 -0.0004137 -0.0001498 -0.0000342
S 2.4055780D+04 0.0036798 -0.0011157 -0.0004040 -0.0000922
S 8.0762020D+03 0.0097392 -0.0029726 -0.0010779 -0.0002457
S 3.0381510D+03 0.0250587 -0.0077459 -0.0028104 -0.0006417
S 1.2503670D+03 0.0609312 -0.0193560 -0.0070536 -0.0016075
S 5.4660870D+02 0.1353298 -0.0454386 -0.0166354 -0.0038072
S 2.4855880D+02 0.2525971 -0.0952526 -0.0354279 -0.0080823
S 1.1641900D+02 0.3432888 -0.1626924 -0.0620462 -0.0143104
S 5.5484730D+01 0.2578247 -0.1746810 -0.0703745 -0.0161036
S 2.6329490D+01 0.0654135 0.0381122 0.0176346 0.0037342
S 1.2524240D+01 0.0017880 0.4771784 0.2596946 0.0635251
S 6.0680070D+00 0.0009462 0.5144969 0.4544696 0.1144341
S 2.8832020D+00 -0.0003295 0.1189687 -0.0204359 -0.0074736
S 1.2633840D+00 0.0000593 0.0037531 -0.7344339 -0.2433100
S 5.3766090D-01 -0.0000396 0.0010423 -0.4614115 -0.2816020
S 9.2506740D-02 0.0000062 -0.0000320 -0.0124333 0.6364815
S 3.4681180D-02 -0.0000027 0.0000165 0.0036809 0.5197961
P 2P 3P
BASIS/ORB.ENERGY -20.0597740 -2.0233704
P 4.7689830D+04 0.0000279 -0.0000098
P 8.2183390D+03 0.0001635 -0.0000572
P 2.2637380D+03 0.0008272 -0.0002895
P 7.8402370D+02 0.0037432 -0.0013151
P 3.1013700D+02 0.0144323 -0.0051036
P 1.3458010D+02 0.0463206 -0.0166424
P 6.2327460D+01 0.1206682 -0.0445623
P 3.0361920D+01 0.2359684 -0.0904782
P 1.5547650D+01 0.3193817 -0.1282587
P 8.4769040D+00 0.2767760 -0.1148570
P 4.7216180D+00 0.1474524 0.0147233
P 2.4319990D+00 0.0305124 0.2849909
P 1.1963690D+00 0.0007844 0.4666819
P 5.6242860D-01 0.0005794 0.3187568
P 2.3621200D-01 -0.0000538 0.0566002
D 3D
BASIS/ORB.ENERGY -0.4993303
D 1.8217040D+02 0.0006917
D 5.2710580D+01 0.0061575
D 1.9604460D+01 0.0288287
D 8.0720930D+00 0.0910181
D 3.5509370D+00 0.2064715
D 1.5942780D+00 0.3182954
D 7.0512720D-01 0.3523154
D 3.0065250D-01 0.2597313
D 1.1757850D-01 0.0893638