XENON K(2)L(8)M(18)4S(2)4P(6)5S(2)4D(10)5P(6), 1S
CHARGE = 54.000000
SYMMETRY SPECIES S P D
NUMBER OF BASIS FUNCTIONS 23 19 12
NUMBER OF CLOSED SHELLS 5 4 2
NUMBER OF OPEN SHELLS 0 0 0
OPEN SHELL OCCUPATION NUMBER 0 0 0
*** FINAL SCF RESULTS ***
E = -7443.894265417
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S
BASIS/ORB.ENERGY -1276.2660000 -202.3614500 -42.9947080 -8.4276013 -1.0095385
S 1.5571750D+09 0.0000237 -0.0000082 -0.0000037 0.0000017 0.0000006
S 1.4783220D+08 0.0000967 -0.0000337 -0.0000151 0.0000069 0.0000025
S 2.3342500D+07 0.0002993 -0.0001043 -0.0000469 0.0000214 0.0000076
S 4.8370600D+06 0.0008050 -0.0002808 -0.0001262 0.0000575 0.0000205
S 1.2055790D+06 0.0019608 -0.0006857 -0.0003082 0.0001405 0.0000501
S 3.4613750D+05 0.0044824 -0.0015734 -0.0007075 0.0003228 0.0001151
S 1.1075610D+05 0.0099005 -0.0035034 -0.0015774 0.0007193 0.0002566
S 3.8784920D+04 0.0213853 -0.0076531 -0.0034512 0.0015766 0.0005623
S 1.4683320D+04 0.0455974 -0.0167149 -0.0075662 0.0034503 0.0012314
S 5.9370610D+03 0.0949392 -0.0360811 -0.0164164 0.0075249 0.0026836
S 2.5373520D+03 0.1839535 -0.0756258 -0.0348428 0.0159167 0.0056887
S 1.1327690D+03 0.2986621 -0.1403600 -0.0660310 0.0305777 0.0109099
S 5.2460740D+02 0.3269993 -0.1998236 -0.0983745 0.0453041 0.0162728
S 2.5019720D+02 0.1738203 -0.0976705 -0.0491593 0.0240857 0.0085210
S 1.1146130D+02 0.0233917 0.3469047 0.2453093 -0.1263772 -0.0456827
S 5.4341410D+01 -0.0021724 0.6011051 0.5946597 -0.3152251 -0.1172661
S 2.5954400D+01 0.0012283 0.2235009 0.1595887 -0.1143698 -0.0420857
S 1.3300310D+01 -0.0008128 0.0009499 -0.7823587 0.7289810 0.2971231
S 6.7839940D+00 0.0003704 0.0051982 -0.5349859 0.6385637 0.2881194
S 2.8641580D+00 -0.0001470 -0.0020456 -0.0478018 -0.7959025 -0.4971351
S 1.3673320D+00 0.0000619 0.0006822 0.0031565 -0.6889443 -0.5828659
S 3.6615650D-01 -0.0000154 -0.0001710 -0.0007451 -0.0287324 0.8000768
S 1.4223710D-01 0.0000053 0.0000634 0.0003011 0.0045280 0.5207047
P 2P 3P 4P 5P
BASIS/ORB.ENERGY -181.4408900 -36.0605740 -6.1317545 -0.4561965
P 1.4141290D+06 0.0000389 -0.0000184 -0.0000081 0.0000025
P 2.1210270D+05 0.0001486 -0.0000702 -0.0000311 0.0000096
P 4.8312330D+04 0.0005299 -0.0002509 -0.0001113 0.0000342
P 1.3855470D+04 0.0018708 -0.0008893 -0.0003947 0.0001212
P 4.7267550D+03 0.0064564 -0.0030854 -0.0013718 0.0004224
P 1.8313610D+03 0.0213639 -0.0103376 -0.0046047 0.0014142
P 7.7710870D+02 0.0643356 -0.0317835 -0.0142281 0.0043891
P 3.5293570D+02 0.1614865 -0.0830907 -0.0374758 0.0115265
P 1.6853030D+02 0.3050497 -0.1655280 -0.0756501 0.0234580
P 8.3480670D+01 0.3684029 -0.2065884 -0.0948383 0.0291194
P 4.2206630D+01 0.2188127 -0.0111884 0.0104274 -0.0036437
P 2.1021800D+01 0.0430355 0.4102894 0.2673546 -0.0891715
P 1.0772700D+01 0.0004213 0.5184610 0.3818732 -0.1257739
P 5.4300830D+00 0.0005172 0.1708677 -0.1228562 0.0594934
P 2.7140930D+00 -0.0003576 0.0090331 -0.6329820 0.2895065
P 1.3194680D+00 0.0000847 0.0018467 -0.4034735 0.1868562
P 5.3091240D-01 -0.0000436 -0.0004492 -0.0431424 -0.3525923
P 2.2440840D-01 0.0000186 0.0001822 0.0026835 -0.5873852
P 8.7721210D-02 -0.0000052 -0.0000549 -0.0008774 -0.2624335
D 3D 4D
BASIS/ORB.ENERGY -25.7314210 -2.6654986
D 2.7170610D+03 0.0004323 -0.0001829
D 7.8249400D+02 0.0033653 -0.0014244
D 3.0489690D+02 0.0170311 -0.0072773
D 1.3543650D+02 0.0626213 -0.0269589
D 6.4687880D+01 0.1670299 -0.0734186
D 3.2341750D+01 0.3080294 -0.1332976
D 1.6524130D+01 0.3719807 -0.1496127
D 8.5701600D+00 0.2373691 0.0051559
D 4.3730760D+00 0.0610655 0.3113689
D 2.1629240D+00 0.0034070 0.4677171
D 1.0300830D+00 0.0002127 0.2985182
D 4.3499870D-01 -0.0000942 0.0640163