CESIUM [XE]6S(1), 2S
CHARGE = 55.000000
SYMMETRY SPECIES S P D
NUMBER OF BASIS FUNCTIONS 27 23 15
NUMBER OF CLOSED SHELLS 5 4 2
NUMBER OF OPEN SHELLS 1 0 0
OPEN SHELL OCCUPATION NUMBER 1 0 0
*** FINAL SCF RESULTS ***
E = -7783.506391326
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S 6S
BASIS/ORB.ENERGY -1328.8980000 -212.2724900 -45.7701930 -9.3277745 -1.3086786 -0.1278289
S 3.3751277D+10 0.0000028 -0.0000010 -0.0000004 0.0000002 0.0000001 0.0000000
S 3.2916445D+09 0.0000101 -0.0000035 -0.0000016 0.0000007 0.0000003 -0.0000001
S 7.0216287D+08 0.0000242 -0.0000085 -0.0000038 0.0000018 0.0000007 -0.0000002
S 1.6079783D+08 0.0000713 -0.0000250 -0.0000113 0.0000052 0.0000019 -0.0000004
S 3.8050111D+07 0.0001846 -0.0000646 -0.0000291 0.0000134 0.0000050 -0.0000012
S 1.0087667D+07 0.0004441 -0.0001555 -0.0000701 0.0000323 0.0000121 -0.0000028
S 2.8878548D+06 0.0010139 -0.0003553 -0.0001603 0.0000739 0.0000278 -0.0000064
S 9.1888437D+05 0.0021140 -0.0007430 -0.0003353 0.0001545 0.0000581 -0.0000133
S 3.2018475D+05 0.0043462 -0.0015321 -0.0006917 0.0003189 0.0001199 -0.0000275
S 1.1673952D+05 0.0091379 -0.0032477 -0.0014680 0.0006763 0.0002543 -0.0000583
S 4.3840534D+04 0.0194663 -0.0069839 -0.0031613 0.0014593 0.0005487 -0.0001256
S 1.7034634D+04 0.0415504 -0.0152556 -0.0069293 0.0031933 0.0012009 -0.0002756
S 6.8954193D+03 0.0876390 -0.0332360 -0.0151708 0.0070231 0.0026412 -0.0006041
S 2.9063094D+03 0.1747027 -0.0713764 -0.0329541 0.0152192 0.0057286 -0.0013157
S 1.2710359D+03 0.2951901 -0.1367813 -0.0644535 0.0301079 0.0113361 -0.0025906
S 5.7642624D+02 0.3379080 -0.2027436 -0.0997624 0.0465101 0.0175682 -0.0040452
S 2.7018571D+02 0.1877560 -0.1096515 -0.0556898 0.0272123 0.0102551 -0.0023134
S 1.1773485D+02 0.0265118 0.3404010 0.2419140 -0.1255723 -0.0481085 0.0109558
S 5.7199090D+01 -0.0030209 0.6029756 0.5958988 -0.3205174 -0.1252678 0.0290691
S 2.7494259D+01 0.0017849 0.2269414 0.1729410 -0.1219246 -0.0488649 0.0107365
S 1.4161049D+01 -0.0011872 0.0035666 -0.7694551 0.7197897 0.3132294 -0.0719723
S 7.2550575D+00 0.0005702 0.0045518 -0.5516013 0.6755830 0.3188732 -0.0770129
S 3.1159224D+00 -0.0002411 -0.0018405 -0.0525203 -0.7711520 -0.5032081 0.1269924
S 1.5077524D+00 0.0001057 0.0006217 0.0034102 -0.7214142 -0.6675402 0.1690583
S 4.4209740D-01 -0.0000308 -0.0001818 -0.0009142 -0.0361986 0.7587885 -0.2371814
S 1.8937484D-01 0.0000121 0.0000761 0.0004078 0.0059730 0.5941562 -0.3405963
S 2.1388343D-02 -0.0000013 -0.0000077 -0.0000375 -0.0005127 0.0076302 1.1101246
P 2P 3P 4P 5P
BASIS/ORB.ENERGY -190.3003000 -38.5141450 -6.9043292 -0.6805787
P 4.9266422D+07 0.0000027 -0.0000013 -0.0000006 -0.0000002
P 7.1555927D+06 0.0000089 -0.0000042 -0.0000019 -0.0000006
P 1.4937391D+06 0.0000266 -0.0000126 -0.0000057 -0.0000019
P 3.7844540D+05 0.0000750 -0.0000356 -0.0000160 -0.0000054
P 1.1258271D+05 0.0002053 -0.0000976 -0.0000439 -0.0000147
P 3.7774967D+04 0.0005739 -0.0002733 -0.0001229 -0.0000411
P 1.4015011D+04 0.0016218 -0.0007749 -0.0003487 -0.0001169
P 5.6872591D+03 0.0046606 -0.0022372 -0.0010076 -0.0003373
P 2.4740438D+03 0.0133789 -0.0064794 -0.0029235 -0.0009808
P 1.1419148D+03 0.0367132 -0.0180467 -0.0081676 -0.0027359
P 5.5343456D+02 0.0911602 -0.0460692 -0.0209697 -0.0070484
P 2.7934109D+02 0.1900103 -0.0999893 -0.0459057 -0.0154109
P 1.4531004D+02 0.3055816 -0.1698107 -0.0789853 -0.0266849
P 7.7294283D+01 0.3252396 -0.1778318 -0.0821124 -0.0274870
P 4.1481309D+01 0.1830044 0.0170261 0.0258280 0.0095927
P 2.2052273D+01 0.0386089 0.3781671 0.2492254 0.0903343
P 1.1907965D+01 0.0014872 0.4939685 0.3745800 0.1369314
P 6.3685109D+00 0.0002473 0.2051168 -0.0322996 -0.0296798
P 3.2260643D+00 -0.0002117 0.0213910 -0.5965761 -0.2927864
P 1.5888705D+00 0.0000080 0.0007295 -0.4798162 -0.2663148
P 6.7620066D-01 -0.0000181 0.0000499 -0.0674564 0.2937982
P 2.9604244D-01 0.0000070 -0.0000278 0.0029169 0.6463759
P 1.1819731D-01 -0.0000018 0.0000035 -0.0009779 0.2689443
D 3D 4D
BASIS/ORB.ENERGY -27.8053130 -3.2502977
D 1.0218687D+04 0.0000412 -0.0000178
D 3.0727965D+03 0.0002703 -0.0001174
D 1.1180421D+03 0.0016427 -0.0007117
D 4.6271444D+02 0.0081650 -0.0035674
D 2.0873415D+02 0.0325891 -0.0143012
D 9.9633969D+01 0.1001838 -0.0447550
D 4.9790638D+01 0.2242027 -0.1008657
D 2.5675450D+01 0.3411442 -0.1494965
D 1.3656560D+01 0.3255977 -0.1145915
D 7.3809680D+00 0.1614567 0.0918758
D 3.9861239D+00 0.0337332 0.3404591
D 2.1433568D+00 0.0021616 0.4045673
D 1.1592979D+00 0.0000186 0.2435987
D 6.2040623D-01 -0.0000274 0.0780012
D 2.9841162D-01 -0.0000193 0.0100478