BISMUTH [XE]4F(14)6S(2)5D(10)6P(3), 4S
CHARGE = 83.000000
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 3 0 0
*** FINAL SCF RESULTS ***
E =-21537.718824263
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S 6S
BASIS/ORB.ENERGY -3348.6733000 -607.4221600 -149.3317600 -35.7438400 -6.6802339 -0.6777410
S 2.4062858D+11 0.0000052 -0.0000021 0.0000010 0.0000005 0.0000002 -0.0000001
S 2.2809639D+10 0.0000209 -0.0000084 0.0000040 0.0000020 0.0000009 -0.0000003
S 3.4462821D+09 0.0000641 -0.0000255 0.0000123 0.0000062 0.0000028 -0.0000010
S 6.7450223D+08 0.0001697 -0.0000674 0.0000325 0.0000165 0.0000075 -0.0000026
S 1.5569479D+08 0.0004082 -0.0001619 0.0000781 0.0000395 0.0000179 -0.0000063
S 4.0651160D+07 0.0009166 -0.0003635 0.0001752 0.0000887 0.0000403 -0.0000141
S 1.1560254D+07 0.0019732 -0.0007825 0.0003773 0.0001909 0.0000867 -0.0000304
S 3.5127552D+06 0.0040948 -0.0016273 0.0007848 0.0003972 0.0001804 -0.0000633
S 1.1280140D+06 0.0082640 -0.0032951 0.0015906 0.0008051 0.0003656 -0.0001283
S 3.8096930D+05 0.0162385 -0.0065289 0.0031541 0.0015972 0.0007254 -0.0002547
S 1.3537905D+05 0.0311545 -0.0126716 0.0061398 0.0031097 0.0014125 -0.0004959
S 5.0527834D+04 0.0587303 -0.0244766 0.0118896 0.0060306 0.0027403 -0.0009620
S 1.9697323D+04 0.1087496 -0.0468732 0.0229602 0.0116545 0.0052964 -0.0018598
S 7.9790262D+03 0.1917033 -0.0886288 0.0437756 0.0223130 0.0101515 -0.0035644
S 3.3497459D+03 0.2954804 -0.1511730 0.0765993 0.0391588 0.0178282 -0.0062628
S 1.4574575D+03 0.3218529 -0.1970457 0.1021102 0.0528505 0.0241355 -0.0084806
S 6.5841402D+02 0.1706225 -0.0410043 0.0145294 0.0059105 0.0025158 -0.0008719
S 2.8409184D+02 0.0212850 0.4522740 -0.3861499 -0.2235245 -0.1050215 0.0371087
S 1.3178503D+02 -0.0014845 0.5767410 -0.6265485 -0.4011761 -0.1936933 0.0688394
S 5.4629074D+01 0.0006907 0.1247582 0.3625899 0.3854326 0.2098903 -0.0764040
S 2.8745817D+01 -0.0004743 -0.0210439 0.8679192 1.0871696 0.6276842 -0.2310092
S 1.2110242D+01 0.0002447 0.0086391 0.1550723 -0.4423393 -0.3989302 0.1579308
S 6.3011136D+00 -0.0001276 -0.0044625 -0.0195680 -1.0007806 -1.1098849 0.4780398
S 2.1494104D+00 0.0000502 0.0016683 0.0058286 -0.0951042 0.7266775 -0.4736337
S 1.0677106D+00 -0.0000257 -0.0008274 -0.0028274 0.0199660 0.7456398 -0.5635569
S 2.6714109D-01 0.0000064 0.0002068 0.0006594 -0.0038145 0.0341511 0.7428017
S 1.0206999D-01 -0.0000024 -0.0000763 -0.0002405 0.0013457 -0.0067402 0.5496555
P 2P 3P 4P 5P 6P
BASIS/ORB.ENERGY -521.8184100 -124.4208700 -27.4160290 -4.2402153 -0.3165808
P 5.8730496D+07 0.0000167 -0.0000087 -0.0000044 -0.0000019 0.0000005
P 8.3144760D+06 0.0000550 -0.0000285 -0.0000144 -0.0000061 0.0000017
P 1.6976188D+06 0.0001591 -0.0000827 -0.0000417 -0.0000178 0.0000049
P 4.2605330D+05 0.0004333 -0.0002256 -0.0001139 -0.0000486 0.0000135
P 1.2403012D+05 0.0011585 -0.0006052 -0.0003058 -0.0001307 0.0000362
P 4.0689092D+04 0.0030952 -0.0016254 -0.0008223 -0.0003511 0.0000971
P 1.4811776D+04 0.0083078 -0.0043944 -0.0022272 -0.0009527 0.0002641
P 5.8931265D+03 0.0222471 -0.0119101 -0.0060541 -0.0025860 0.0007149
P 2.5262925D+03 0.0576904 -0.0314825 -0.0160772 -0.0068937 0.0019134
P 1.1517227D+03 0.1359504 -0.0766581 -0.0394719 -0.0168975 0.0046680
P 5.5107472D+02 0.2631128 -0.1551600 -0.0808224 -0.0348643 0.0097017
P 2.7424988D+02 0.3577030 -0.2179129 -0.1145143 -0.0490821 0.0135025
P 1.4046722D+02 0.2708886 -0.0898191 -0.0323702 -0.0130153 0.0037963
P 7.2494510D+01 0.0805910 0.3161062 0.2537027 0.1218684 -0.0349063
P 3.8653022D+01 0.0034574 0.5414060 0.4636939 0.2195562 -0.0605793
P 2.0583442D+01 0.0009676 0.2538328 -0.0014026 -0.0283727 0.0069816
P 1.0692111D+01 -0.0006159 0.0286534 -0.6338195 -0.4543278 0.1408678
P 5.5586880D+00 0.0002436 0.0010496 -0.4704317 -0.3259136 0.0897324
P 2.5810616D+00 -0.0001179 -0.0001772 -0.0649156 0.4907571 -0.1803802
P 1.2386791D+00 0.0000650 0.0000176 0.0029674 0.6267627 -0.2908346
P 5.5495678D-01 -0.0000237 -0.0000359 -0.0013690 0.1528430 0.0598137
P 1.9599244D-01 0.0000078 0.0000101 0.0004003 0.0034033 0.6307895
P 6.9345825D-02 -0.0000023 -0.0000028 -0.0001101 0.0003251 0.4585952
D 3D 4D 5D
BASIS/ORB.ENERGY -98.1628420 -17.4708320 -1.3085010
D 1.6038922D+04 0.0002052 0.0001091 0.0000390
D 4.1627671D+03 0.0014278 0.0007604 0.0002711
D 1.4932680D+03 0.0073787 0.0039615 0.0014191
D 6.3617893D+02 0.0294442 0.0159166 0.0056911
D 3.0019669D+02 0.0911349 0.0502071 0.0180813
D 1.5071473D+02 0.2137840 0.1190729 0.0427922
D 7.8150152D+01 0.3500132 0.1909388 0.0687929
D 4.1403834D+01 0.3426366 0.1324741 0.0415923
D 2.1913244D+01 0.1573210 -0.1811124 -0.0894072
D 1.1392226D+01 0.0242163 -0.4789062 -0.2199987
D 5.8708730D+00 0.0011899 -0.3857984 -0.1352772
D 2.9079721D+00 0.0000524 -0.1015090 0.2397726
D 1.3928501D+00 0.0000290 -0.0042943 0.4964586
D 6.3220087D-01 -0.0000148 -0.0006428 0.3725961
D 2.5747463D-01 0.0000048 0.0001865 0.1007645
F 4F
BASIS/ORB.ENERGY -6.5858355
F 1.2931490D+03 0.0002558
F 4.4245050D+02 0.0023003
F 1.8992104D+02 0.0127464
F 9.1584137D+01 0.0469483
F 4.7062874D+01 0.1226971
F 2.5131198D+01 0.2368570
F 1.3357806D+01 0.3323572
F 6.9337984D+00 0.3267702
F 3.4247290D+00 0.1915664
F 1.5159795D+00 0.0472214