TALLIUM [XE]4F(14)6S(2)5D(10)6P(1), 2P
CHARGE = 81.000000
SYMMETRY SPECIES S P D F
NUMBER OF BASIS FUNCTIONS 27 23 15 10
NUMBER OF CLOSED SHELLS 6 4 3 1
NUMBER OF OPEN SHELLS 0 1 0 0
OPEN SHELL OCCUPATION NUMBER 0 1 0 0
*** FINAL SCF RESULTS ***
E =-20250.536178182
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S 6S
BASIS/ORB.ENERGY -3163.1227000 -568.8153900 -138.3895800 -32.3052130 -5.6204574 -0.4477927
S 2.0232234D+11 0.0000049 -0.0000020 0.0000009 0.0000005 0.0000002 -0.0000001
S 2.0259966D+10 0.0000194 -0.0000076 0.0000037 0.0000018 0.0000008 -0.0000003
S 3.1155926D+09 0.0000589 -0.0000232 0.0000112 0.0000056 0.0000025 -0.0000008
S 6.2557525D+08 0.0001544 -0.0000607 0.0000292 0.0000147 0.0000065 -0.0000021
S 1.4547281D+08 0.0003784 -0.0001486 0.0000714 0.0000359 0.0000159 -0.0000050
S 3.7733841D+07 0.0008566 -0.0003363 0.0001616 0.0000813 0.0000360 -0.0000114
S 1.0816442D+07 0.0018224 -0.0007155 0.0003439 0.0001729 0.0000766 -0.0000243
S 3.3427946D+06 0.0037523 -0.0014765 0.0007098 0.0003570 0.0001582 -0.0000501
S 1.0912002D+06 0.0075605 -0.0029842 0.0014360 0.0007222 0.0003200 -0.0001013
S 3.7312667D+05 0.0148869 -0.0059256 0.0028535 0.0014357 0.0006363 -0.0002014
S 1.3376345D+05 0.0287256 -0.0115558 0.0055804 0.0028085 0.0012446 -0.0003941
S 5.0138728D+04 0.0547081 -0.0225488 0.0109156 0.0055008 0.0024390 -0.0007721
S 1.9591169D+04 0.1022663 -0.0434934 0.0212223 0.0107032 0.0047453 -0.0015027
S 7.9642342D+03 0.1824064 -0.0831624 0.0409096 0.0207111 0.0091943 -0.0029113
S 3.3517937D+03 0.2885887 -0.1449644 0.0730607 0.0371049 0.0164771 -0.0052192
S 1.4563509D+03 0.3288787 -0.1999118 0.1033376 0.0530908 0.0236593 -0.0074977
S 6.5426556D+02 0.1875835 -0.0649282 0.0292836 0.0139491 0.0060705 -0.0019127
S 2.7473519D+02 0.0258506 0.4370450 -0.3673927 -0.2107336 -0.0964115 0.0306857
S 1.2626532D+02 -0.0025473 0.5953146 -0.6444320 -0.4077197 -0.1917213 0.0614042
S 5.1889216D+01 0.0013419 0.1321277 0.3299261 0.3461136 0.1834259 -0.0601508
S 2.7235744D+01 -0.0009176 -0.0220325 0.8882331 1.1028152 0.6165371 -0.2033835
S 1.1391258D+01 0.0004701 0.0087239 0.1595825 -0.4203519 -0.3643050 0.1279454
S 5.8286016D+00 -0.0002418 -0.0043187 -0.0188419 -1.0143592 -1.0808052 0.4134512
S 1.9124685D+00 0.0000899 0.0015119 0.0053556 -0.0906026 0.7225900 -0.4115964
S 9.2040810D-01 -0.0000436 -0.0007146 -0.0024829 0.0185761 0.7254344 -0.4721318
S 1.9733417D-01 0.0000101 0.0001666 0.0005384 -0.0033675 0.0320290 0.6926824
S 7.2144355D-02 -0.0000040 -0.0000650 -0.0002092 0.0012580 -0.0074970 0.5425239
P 2P 3P 4P 5P 6P
BASIS/ORB.ENERGY -491.0924400 -115.5901600 -24.6783600 -3.4422544 -0.1853159
P 5.8291947D+07 0.0000148 -0.0000077 -0.0000038 -0.0000016 -0.0000003
P 8.2641230D+06 0.0000488 -0.0000252 -0.0000126 -0.0000052 -0.0000011
P 1.6903653D+06 0.0001416 -0.0000732 -0.0000366 -0.0000151 -0.0000033
P 4.2472689D+05 0.0003866 -0.0002003 -0.0001003 -0.0000413 -0.0000089
P 1.2380619D+05 0.0010361 -0.0005386 -0.0002699 -0.0001113 -0.0000240
P 4.0665653D+04 0.0027803 -0.0014524 -0.0007288 -0.0003005 -0.0000647
P 1.4806764D+04 0.0075085 -0.0039498 -0.0019849 -0.0008194 -0.0001771
P 5.8925590D+03 0.0202442 -0.0107712 -0.0054295 -0.0022399 -0.0004818
P 2.5261879D+03 0.0530325 -0.0287421 -0.0145457 -0.0060166 -0.0013027
P 1.1515387D+03 0.1267631 -0.0709091 -0.0361911 -0.0149662 -0.0032146
P 5.5121142D+02 0.2507398 -0.1466319 -0.0756259 -0.0314418 -0.0068320
P 2.7432566D+02 0.3546127 -0.2158155 -0.1127136 -0.0467684 -0.0099787
P 1.4047882D+02 0.2862328 -0.1146938 -0.0480971 -0.0191806 -0.0044061
P 7.2605915D+01 0.0943754 0.2713228 0.2155055 0.0990238 0.0223619
P 3.8658712D+01 0.0054973 0.5454847 0.4627823 0.2128632 0.0451224
P 2.0617630D+01 0.0010810 0.2901805 0.0731162 0.0110362 0.0045233
P 1.0661808D+01 -0.0006607 0.0391242 -0.5940807 -0.3949060 -0.0962051
P 5.5055026D+00 0.0002638 0.0009796 -0.5221408 -0.3732876 -0.0781728
P 2.5985549D+00 -0.0001356 0.0000710 -0.0867649 0.3571719 0.0902151
P 1.2618990D+00 0.0000689 -0.0000768 0.0020807 0.6530451 0.2296542
P 5.6273636D-01 -0.0000204 -0.0000085 -0.0012734 0.2478368 0.0039346
P 1.4545317D-01 0.0000049 -0.0000008 0.0002434 0.0105861 -0.5371463
P 4.4688491D-02 -0.0000016 0.0000003 -0.0000713 -0.0011766 -0.5780662
D 3D 4D 5D
BASIS/ORB.ENERGY -90.8997560 -15.3657180 -0.8407541
D 1.6081381D+04 0.0001777 -0.0000932 0.0000306
D 4.2201581D+03 0.0012224 -0.0006424 0.0002109
D 1.5131209D+03 0.0064335 -0.0034052 0.0011195
D 6.4035780D+02 0.0263684 -0.0140561 0.0046265
D 3.0042141D+02 0.0835721 -0.0453266 0.0149709
D 1.5037046D+02 0.2005541 -0.1102612 0.0364950
D 7.7992852D+01 0.3389594 -0.1832761 0.0605379
D 4.1314732D+01 0.3528276 -0.1478655 0.0451564
D 2.1882602D+01 0.1764007 0.1411941 -0.0666511
D 1.1372795D+01 0.0310244 0.4572373 -0.1886690
D 5.8559360D+00 0.0015208 0.4137543 -0.1528662
D 2.9260748D+00 0.0001800 0.1301775 0.1658117
D 1.3535144D+00 0.0000002 0.0090632 0.4730925
D 5.7731191D-01 -0.0000017 0.0003209 0.4314314
D 2.2032967D-01 0.0000005 -0.0000551 0.1550957
F 4F
BASIS/ORB.ENERGY -5.0980388
F 1.6622083D+03 0.0001367
F 4.8485710D+02 0.0017460
F 1.9046172D+02 0.0116968
F 8.6394508D+01 0.0487388
F 4.1945751D+01 0.1382036
F 2.1263502D+01 0.2666840
F 1.0852911D+01 0.3506886
F 5.4735966D+00 0.3124238
F 2.6447503D+00 0.1636205
F 1.1422553D+00 0.0363133