IRIDIUM [XE]4F(14)6S(2)5D(7), 4F
CHARGE = 77.000000
SYMMETRY SPECIES S P D F
NUMBER OF BASIS FUNCTIONS 27 23 15 10
NUMBER OF CLOSED SHELLS 6 4 2 1
NUMBER OF OPEN SHELLS 0 0 1 0
OPEN SHELL OCCUPATION NUMBER 0 0 7 0
*** FINAL SCF RESULTS ***
E =-17828.640193122
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S 6S
BASIS/ORB.ENERGY -2813.9189000 -497.5919100 -118.8095700 -26.6380250 -4.2454588 -0.2960343
S 1.5407728D+11 0.0000043 -0.0000017 0.0000008 0.0000004 0.0000002 0.0000000
S 1.6236210D+10 0.0000166 -0.0000064 0.0000031 0.0000015 0.0000006 -0.0000002
S 2.5647660D+09 0.0000503 -0.0000194 0.0000093 0.0000046 0.0000019 -0.0000006
S 5.3657014D+08 0.0001279 -0.0000493 0.0000235 0.0000117 0.0000050 -0.0000014
S 1.3078862D+08 0.0003075 -0.0001184 0.0000565 0.0000280 0.0000119 -0.0000034
S 3.5093707D+07 0.0006981 -0.0002688 0.0001283 0.0000637 0.0000270 -0.0000078
S 1.0210191D+07 0.0015023 -0.0005785 0.0002762 0.0001371 0.0000581 -0.0000167
S 3.1853167D+06 0.0031144 -0.0012022 0.0005741 0.0002849 0.0001208 -0.0000347
S 1.0479788D+06 0.0063286 -0.0024490 0.0011705 0.0005810 0.0002462 -0.0000708
S 3.6160683D+05 0.0125109 -0.0048829 0.0023354 0.0011598 0.0004917 -0.0001413
S 1.3090626D+05 0.0244411 -0.0096234 0.0046142 0.0022917 0.0009713 -0.0002791
S 4.9287476D+04 0.0473313 -0.0190896 0.0091743 0.0045626 0.0019353 -0.0005561
S 1.9392295D+04 0.0895550 -0.0371001 0.0179558 0.0089342 0.0037878 -0.0010884
S 7.9359883D+03 0.1648843 -0.0730836 0.0356468 0.0178021 0.0075602 -0.0021729
S 3.3249459D+03 0.2777295 -0.1346705 0.0671294 0.0336150 0.0142697 -0.0041005
S 1.4237126D+03 0.3436063 -0.2043779 0.1048885 0.0531256 0.0226469 -0.0065157
S 6.2697354D+02 0.2169216 -0.1022195 0.0514572 0.0255270 0.0107738 -0.0030842
S 2.5228449D+02 0.0330464 0.4095227 -0.3352638 -0.1885615 -0.0822169 0.0236994
S 1.1459108D+02 -0.0042426 0.6239474 -0.6686733 -0.4144038 -0.1857814 0.0539608
S 4.6252410D+01 0.0023449 0.1452435 0.2776146 0.2875622 0.1452654 -0.0432640
S 2.4128959D+01 -0.0015704 -0.0245352 0.9238403 1.1170603 0.5889044 -0.1747011
S 9.7366503D+00 0.0007776 0.0093759 0.1634695 -0.4135266 -0.3343579 0.1038556
S 4.9080511D+00 -0.0003951 -0.0045574 -0.0207904 -1.0069522 -0.9986552 0.3404797
S 1.4827094D+00 0.0001413 0.0015378 0.0057108 -0.0849340 0.7142159 -0.3505833
S 7.0513974D-01 -0.0000701 -0.0007482 -0.0027133 0.0199701 0.6855759 -0.4114292
S 1.3623170D-01 0.0000161 0.0001724 0.0005887 -0.0036177 0.0295057 0.6420305
S 4.9774537D-02 -0.0000067 -0.0000710 -0.0002419 0.0014377 -0.0077533 0.5581394
P 2P 3P 4P 5P
BASIS/ORB.ENERGY -433.5392900 -99.6985750 -20.2387810 -2.4769364
P 5.3288951D+07 0.0000123 -0.0000063 -0.0000031 -0.0000012
P 7.5748706D+06 0.0000405 -0.0000207 -0.0000102 -0.0000040
P 1.5641272D+06 0.0001169 -0.0000599 -0.0000295 -0.0000115
P 3.9941160D+05 0.0003168 -0.0001625 -0.0000800 -0.0000311
P 1.1874375D+05 0.0008407 -0.0004326 -0.0002131 -0.0000829
P 3.9762614D+04 0.0022479 -0.0011617 -0.0005730 -0.0002229
P 1.4630867D+04 0.0061347 -0.0031908 -0.0015757 -0.0006129
P 5.8393648D+03 0.0168175 -0.0088366 -0.0043764 -0.0017042
P 2.5037540D+03 0.0449314 -0.0240171 -0.0119353 -0.0046482
P 1.1428892D+03 0.1096854 -0.0603713 -0.0302398 -0.0118069
P 5.5021367D+02 0.2236017 -0.1284914 -0.0649772 -0.0253946
P 2.7630742D+02 0.3369363 -0.2031630 -0.1043239 -0.0409840
P 1.4362535D+02 0.3085241 -0.1574101 -0.0749610 -0.0287477
P 7.6371145D+01 0.1331080 0.1428418 0.1173676 0.0500036
P 4.1444913D+01 0.0174605 0.4902838 0.3956508 0.1722519
P 2.2920241D+01 0.0010380 0.3974485 0.2858908 0.1149798
P 1.2596815D+01 -0.0004148 0.1067264 -0.2994641 -0.1793984
P 6.8110112D+00 0.0001481 0.0074571 -0.6130534 -0.3967097
P 3.6709846D+00 -0.0001363 0.0007687 -0.3034803 -0.1690830
P 1.9291885D+00 0.0000690 -0.0001367 -0.0387509 0.3903404
P 9.7137476D-01 -0.0000283 0.0000194 -0.0019078 0.5750121
P 4.6320896D-01 0.0000111 -0.0000242 -0.0000214 0.2567050
P 1.8076245D-01 -0.0000022 0.0000028 -0.0000025 0.0252900
D 3D 4D 5D
BASIS/ORB.ENERGY -77.8800950 -12.0918510 -0.4835845
D 1.7150290D+04 0.0001231 -0.0000628 0.0000179
D 4.4301401D+03 0.0008716 -0.0004450 0.0001269
D 1.5700663D+03 0.0047507 -0.0024390 0.0006961
D 6.5255850D+02 0.0209275 -0.0108220 0.0030928
D 2.9798838D+02 0.0724119 -0.0380036 0.0108873
D 1.4481227D+02 0.1885477 -0.1006651 0.0289224
D 7.3049089D+01 0.3402262 -0.1793339 0.0514328
D 3.7643600D+01 0.3723580 -0.1593481 0.0433016
D 1.9406176D+01 0.1876554 0.1325419 -0.0535235
D 9.7536543D+00 0.0307870 0.4725317 -0.1654776
D 4.7830041D+00 0.0013753 0.4254695 -0.1316652
D 2.2284709D+00 0.0001754 0.1196660 0.1642531
D 9.7365018D-01 0.0000026 0.0047445 0.4597784
D 3.9305112D-01 -0.0000073 0.0010056 0.4369166
D 1.4264963D-01 -0.0000014 -0.0001607 0.1803440
F 4F
BASIS/ORB.ENERGY -3.0312712
F 8.3274020D+02 0.0003687
F 3.1533614D+02 0.0026692
F 1.3946640D+02 0.0145464
F 6.6563591D+01 0.0530908
F 3.3441924D+01 0.1382197
F 1.7262282D+01 0.2581772
F 8.8247886D+00 0.3389145
F 4.4024321D+00 0.3142808
F 2.0738695D+00 0.1849582
F 8.5810590D-01 0.0493539