GOLD [XE]4F(14)6S(1)5D(10), 2S
CHARGE = 79.000000
SYMMETRY SPECIES S P D F
NUMBER OF BASIS FUNCTIONS 27 23 15 10
NUMBER OF CLOSED SHELLS 5 4 3 1
NUMBER OF OPEN SHELLS 1 0 0 0
OPEN SHELL OCCUPATION NUMBER 1 0 0 0
*** FINAL SCF RESULTS ***
E =-19014.506992841
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S 6S
BASIS/ORB.ENERGY -2984.8419000 -532.1085300 -128.0977800 -29.1456300 -4.6831212 -0.2898901
S 1.8292916D+11 0.0000046 -0.0000018 0.0000009 0.0000004 0.0000002 -0.0000001
S 1.7915395D+10 0.0000182 -0.0000071 0.0000034 0.0000017 0.0000007 -0.0000002
S 2.7914950D+09 0.0000549 -0.0000214 0.0000102 0.0000051 0.0000022 -0.0000006
S 5.7042440D+08 0.0001419 -0.0000552 0.0000265 0.0000132 0.0000057 -0.0000016
S 1.3760160D+08 0.0003354 -0.0001304 0.0000625 0.0000312 0.0000135 -0.0000037
S 3.7040264D+07 0.0007612 -0.0002959 0.0001417 0.0000708 0.0000305 -0.0000084
S 1.0608426D+07 0.0016621 -0.0006462 0.0003096 0.0001546 0.0000667 -0.0000183
S 3.2762261D+06 0.0034016 -0.0013256 0.0006352 0.0003173 0.0001369 -0.0000375
S 1.0788147D+06 0.0068629 -0.0026819 0.0012861 0.0006426 0.0002772 -0.0000759
S 3.7001856D+05 0.0136332 -0.0053724 0.0025786 0.0012890 0.0005562 -0.0001522
S 1.3300838D+05 0.0264282 -0.0105171 0.0050604 0.0025298 0.0010915 -0.0002987
S 4.9955339D+04 0.0508309 -0.0207176 0.0099950 0.0050039 0.0021600 -0.0005910
S 1.9510300D+04 0.0962939 -0.0404222 0.0196389 0.0098372 0.0042459 -0.0011624
S 7.9342639D+03 0.1736455 -0.0780576 0.0382547 0.0192373 0.0083135 -0.0022744
S 3.3483330D+03 0.2808028 -0.1385571 0.0694037 0.0349928 0.0151275 -0.0041435
S 1.4528423D+03 0.3352020 -0.2013294 0.1038161 0.0529702 0.0229706 -0.0062853
S 6.4758292D+02 0.2047319 -0.0878313 0.0427271 0.0210083 0.0090256 -0.0024794
S 2.6628397D+02 0.0305218 0.4157540 -0.3428243 -0.1944413 -0.0865115 0.0238209
S 1.2175325D+02 -0.0035003 0.6128134 -0.6618115 -0.4141143 -0.1889554 0.0521324
S 5.0355493D+01 0.0018808 0.1431181 0.2681648 0.2812560 0.1440265 -0.0403853
S 2.6104885D+01 -0.0012244 -0.0207381 0.9301988 1.1307309 0.6114106 -0.1741004
S 1.0566874D+01 0.0006048 0.0080245 0.1705558 -0.3910475 -0.3347088 0.1021631
S 5.3726006D+00 -0.0003048 -0.0038940 -0.0221410 -1.0274633 -1.0340742 0.3326120
S 1.6183897D+00 0.0001045 0.0012558 0.0058349 -0.0853460 0.7834060 -0.3660667
S 7.5175030D-01 -0.0000512 -0.0006011 -0.0027480 0.0199194 0.6362243 -0.3587159
S 1.5000327D-01 0.0000121 0.0001426 0.0006166 -0.0037928 0.0254508 0.5528581
S 5.2826349D-02 -0.0000048 -0.0000567 -0.0002439 0.0014618 -0.0054577 0.6337879
P 2P 3P 4P 5P
BASIS/ORB.ENERGY -461.5483100 -107.2270300 -22.1616220 -2.7427377
P 5.2550552D+07 0.0000142 -0.0000073 -0.0000036 -0.0000014
P 7.3441452D+06 0.0000469 -0.0000241 -0.0000120 -0.0000048
P 1.5427204D+06 0.0001321 -0.0000680 -0.0000338 -0.0000134
P 3.9776968D+05 0.0003565 -0.0001839 -0.0000913 -0.0000363
P 1.1892102D+05 0.0009392 -0.0004859 -0.0002415 -0.0000960
P 3.9903694D+04 0.0025035 -0.0013009 -0.0006473 -0.0002576
P 1.4671297D+04 0.0068095 -0.0035622 -0.0017749 -0.0007063
P 5.8432763D+03 0.0186032 -0.0098375 -0.0049157 -0.0019580
P 2.5019242D+03 0.0491931 -0.0264828 -0.0132844 -0.0052941
P 1.1429128D+03 0.1182335 -0.0656241 -0.0331833 -0.0132543
P 5.5015701D+02 0.2363550 -0.1370425 -0.0700092 -0.0280090
P 2.7617684D+02 0.3435252 -0.2083234 -0.1079144 -0.0433576
P 1.4347346D+02 0.2967303 -0.1396647 -0.0643466 -0.0249786
P 7.6033991D+01 0.1163448 0.1871178 0.1505124 0.0657565
P 4.1438478D+01 0.0121925 0.5068619 0.4183377 0.1870340
P 2.2907685D+01 0.0012133 0.3641875 0.2342097 0.0912229
P 1.2526282D+01 -0.0006479 0.0849703 -0.3722602 -0.2269354
P 6.7923370D+00 0.0002882 0.0046080 -0.6082638 -0.4193234
P 3.6542217D+00 -0.0002069 0.0007149 -0.2484760 -0.0939975
P 1.9405845D+00 0.0001075 -0.0002164 -0.0243354 0.4715999
P 9.6818459D-01 -0.0000418 0.0000283 -0.0019714 0.5474702
P 4.5156405D-01 0.0000153 -0.0000306 0.0000706 0.1994192
P 1.6468148D-01 -0.0000029 0.0000026 -0.0000521 0.0140070
D 3D 4D 5D
BASIS/ORB.ENERGY -84.0149930 -13.4485390 -0.4523359
D 1.6934048D+04 0.0001424 -0.0000737 0.0000217
D 4.4539466D+03 0.0009786 -0.0005069 0.0001487
D 1.5803312D+03 0.0053527 -0.0027921 0.0008242
D 6.5318404D+02 0.0235748 -0.0123786 0.0036417
D 2.9776176D+02 0.0800280 -0.0427365 0.0126669
D 1.4494472D+02 0.2027544 -0.1098954 0.0324952
D 7.3143912D+01 0.3530829 -0.1882611 0.0559134
D 3.7729467D+01 0.3623977 -0.1453565 0.0389939
D 1.9439955D+01 0.1664797 0.1755918 -0.0697469
D 9.7693369D+00 0.0237466 0.4946741 -0.1828869
D 4.8084185D+00 0.0010826 0.3941129 -0.1090222
D 2.2101367D+00 0.0000684 0.0909117 0.2270153
D 9.7822853D-01 0.0000242 0.0011783 0.4629546
D 3.9580645D-01 -0.0000113 0.0010697 0.3983602
D 1.4203377D-01 0.0000032 -0.0002709 0.1653877
F 4F
BASIS/ORB.ENERGY -3.7885708
F 1.2733749D+03 0.0001814
F 4.3181235D+02 0.0017153
F 1.8223462D+02 0.0101823
F 8.5326812D+01 0.0417933
F 4.1900789D+01 0.1208065
F 2.1305811D+01 0.2457928
F 1.0796232D+01 0.3467892
F 5.3227245D+00 0.3354098
F 2.4860055D+00 0.1917093
F 1.0232078D+00 0.0476742