SAMARIUM [XE]6S(2)5D(0)4F(6), 7F
CHARGE = 62.000000
SYMMETRY SPECIES S P D F
NUMBER OF BASIS FUNCTIONS 27 23 15 10
NUMBER OF CLOSED SHELLS 6 4 2 0
NUMBER OF OPEN SHELLS 0 0 0 1
OPEN SHELL OCCUPATION NUMBER 0 0 0 6
*** FINAL SCF RESULTS ***
E =-10423.677523827
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S 6S
BASIS/ORB.ENERGY -1729.8170000 -286.9186000 -64.6364830 -13.6269360 -1.9594284 -0.1779880
S 4.1998563D+10 0.0000037 -0.0000013 0.0000006 0.0000003 0.0000001 0.0000000
S 4.5941055D+09 0.0000139 -0.0000050 0.0000023 0.0000011 0.0000004 -0.0000001
S 7.5303931D+08 0.0000430 -0.0000155 0.0000071 0.0000034 0.0000013 -0.0000003
S 1.5776780D+08 0.0001134 -0.0000409 0.0000189 0.0000090 0.0000035 -0.0000009
S 3.9364524D+07 0.0002697 -0.0000971 0.0000448 0.0000214 0.0000083 -0.0000022
S 1.1131390D+07 0.0006039 -0.0002176 0.0001004 0.0000479 0.0000187 -0.0000048
S 3.4234974D+06 0.0012996 -0.0004685 0.0002164 0.0001032 0.0000402 -0.0000104
S 1.1274699D+06 0.0027064 -0.0009794 0.0004523 0.0002158 0.0000840 -0.0000217
S 3.9382672D+05 0.0054775 -0.0019869 0.0009190 0.0004383 0.0001706 -0.0000441
S 1.4565122D+05 0.0109079 -0.0039985 0.0018488 0.0008826 0.0003438 -0.0000888
S 5.6081151D+04 0.0220783 -0.0081549 0.0037859 0.0018059 0.0007028 -0.0001817
S 2.2223641D+04 0.0450987 -0.0171220 0.0079503 0.0038019 0.0014816 -0.0003826
S 9.0709666D+03 0.0919770 -0.0359146 0.0168453 0.0080468 0.0031317 -0.0008101
S 3.8006495D+03 0.1803802 -0.0763529 0.0360017 0.0172964 0.0067487 -0.0017421
S 1.6301057D+03 0.3042471 -0.1446502 0.0703036 0.0338004 0.0131696 -0.0034092
S 7.1903282D+02 0.3414180 -0.2121365 0.1062048 0.0519291 0.0203537 -0.0052504
S 3.2762992D+02 0.1722232 -0.0707182 0.0365260 0.0171619 0.0065980 -0.0017314
S 1.3574405D+02 0.0178199 0.4697952 -0.3739898 -0.1998849 -0.0796422 0.0207166
S 6.2190130D+01 -0.0018237 0.5929745 -0.6293230 -0.3757011 -0.1543250 0.0400044
S 2.4514689D+01 0.0008057 0.1130897 0.3868293 0.3536833 0.1603309 -0.0417914
S 1.2662047D+01 -0.0005372 -0.0202475 0.8631241 1.0190714 0.4871007 -0.1304046
S 4.8593173D+00 0.0002502 0.0071370 0.1260945 -0.5481771 -0.3815482 0.1085460
S 2.4220756D+00 -0.0001230 -0.0035142 -0.0187971 -0.8892722 -0.8038532 0.2330349
S 6.7732450D-01 0.0000413 0.0011165 0.0048923 -0.0615917 0.7024055 -0.2518423
S 3.0935797D-01 -0.0000206 -0.0005440 -0.0023534 0.0150156 0.6418487 -0.4223327
S 5.2779368D-02 0.0000054 0.0001422 0.0005854 -0.0031478 0.0213493 0.7031279
S 2.2246041D-02 -0.0000026 -0.0000687 -0.0002822 0.0014816 -0.0072952 0.4779751
P 2P 3P 4P 5P
BASIS/ORB.ENERGY -256.0043900 -54.7339330 -10.2691730 -1.0639055
P 5.1833132D+07 0.0000045 -0.0000022 -0.0000010 -0.0000004
P 7.3871989D+06 0.0000149 -0.0000073 -0.0000034 -0.0000012
P 1.5277399D+06 0.0000441 -0.0000215 -0.0000101 -0.0000035
P 3.8907912D+05 0.0001226 -0.0000600 -0.0000281 -0.0000098
P 1.1515005D+05 0.0003360 -0.0001648 -0.0000772 -0.0000270
P 3.8447979D+04 0.0009264 -0.0004557 -0.0002137 -0.0000745
P 1.4216709D+04 0.0025964 -0.0012820 -0.0006019 -0.0002102
P 5.7322363D+03 0.0073627 -0.0036605 -0.0017201 -0.0005994
P 2.4843655D+03 0.0206736 -0.0103873 -0.0048964 -0.0017125
P 1.1426487D+03 0.0549858 -0.0281919 -0.0133349 -0.0046506
P 5.5273574D+02 0.1290557 -0.0683693 -0.0326154 -0.0114419
P 2.7863778D+02 0.2453214 -0.1363556 -0.0656741 -0.0229589
P 1.4524812D+02 0.3364674 -0.1958857 -0.0957865 -0.0338754
P 7.7646235D+01 0.2766236 -0.1238271 -0.0537856 -0.0179841
P 4.1975876D+01 0.1069990 0.1765586 0.1266946 0.0467722
P 2.2717827D+01 0.0124608 0.4980584 0.3756494 0.1464053
P 1.2413124D+01 0.0006281 0.3786492 0.2591644 0.0900362
P 6.6771692D+00 -0.0002614 0.0893977 -0.3328575 -0.1659142
P 3.4902043D+00 0.0000201 0.0052748 -0.6187449 -0.3542127
P 1.7886776D+00 -0.0000557 0.0005354 -0.2748031 -0.0990130
P 8.0913759D-01 0.0000183 -0.0000418 -0.0247763 0.4582446
P 3.6603668D-01 -0.0000072 0.0000070 0.0001870 0.5752259
P 1.5134571D-01 0.0000019 -0.0000001 -0.0000846 0.1598422
D 3D 4D
BASIS/ORB.ENERGY -41.1562030 -5.4103273
D 1.2216870D+04 0.0000646 -0.0000301
D 3.3156361D+03 0.0004560 -0.0002132
D 1.2193760D+03 0.0024977 -0.0011683
D 5.2294735D+02 0.0110077 -0.0051917
D 2.4725139D+02 0.0384793 -0.0182631
D 1.2415130D+02 0.1064272 -0.0514817
D 6.4980980D+01 0.2231274 -0.1085098
D 3.4756012D+01 0.3345912 -0.1583999
D 1.8924652D+01 0.3193997 -0.1150381
D 1.0328493D+01 0.1564874 0.1184096
D 5.5671676D+00 0.0307910 0.3799736
D 2.9537767D+00 0.0019152 0.4145429
D 1.5212792D+00 0.0001875 0.2106593
D 7.4548492D-01 0.0000241 0.0401805
D 3.6712920D-01 0.0000081 0.0028098
F 4F
BASIS/ORB.ENERGY -0.4947225
F 3.7773288D+02 -0.0004760
F 1.3012154D+02 -0.0041005
F 5.6174664D+01 -0.0199197
F 2.6353745D+01 -0.0646210
F 1.2809689D+01 -0.1582991
F 6.2713685D+00 -0.2742172
F 2.9770012D+00 -0.3425427
F 1.3504876D+00 -0.3091745
F 5.6805858D-01 -0.1977897
F 2.1060250D-01 -0.0695974