IODINE K(2)L(8)M(18)4S(2)4P(6)5S(2)4D(10)5P(5), 2P
CHARGE = 53.000000
SYMMETRY SPECIES S P D
NUMBER OF BASIS FUNCTIONS 23 19 12
NUMBER OF CLOSED SHELLS 5 3 2
NUMBER OF OPEN SHELLS 0 1 0
OPEN SHELL OCCUPATION NUMBER 0 5 0
*** FINAL SCF RESULTS ***
E = -7113.035966885
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S
BASIS/ORB.ENERGY -1225.0505000 -192.9312000 -40.5111080 -7.7578370 -0.8762305
S 1.3507610D+09 0.0000238 -0.0000083 -0.0000037 0.0000017 0.0000006
S 1.4074100D+08 0.0000904 -0.0000314 -0.0000140 0.0000063 0.0000022
S 2.3304840D+07 0.0002761 -0.0000959 -0.0000429 0.0000193 0.0000067
S 4.8817400D+06 0.0007505 -0.0002608 -0.0001167 0.0000526 0.0000182
S 1.2114910D+06 0.0018437 -0.0006422 -0.0002875 0.0001297 0.0000448
S 3.4688040D+05 0.0042236 -0.0014764 -0.0006612 0.0002984 0.0001032
S 1.1090750D+05 0.0093486 -0.0032933 -0.0014769 0.0006662 0.0002303
S 3.8854140D+04 0.0202376 -0.0072074 -0.0032360 0.0014623 0.0005057
S 1.4707510D+04 0.0433946 -0.0158153 -0.0071306 0.0032163 0.0011123
S 5.9402180D+03 0.0909646 -0.0343355 -0.0155440 0.0070471 0.0024376
S 2.5375450D+03 0.1777585 -0.0723739 -0.0332018 0.0150000 0.0051921
S 1.1326500D+03 0.2931494 -0.1359825 -0.0635318 0.0290855 0.0100705
S 5.2429710D+02 0.3307305 -0.1984686 -0.0972073 0.0442649 0.0153751
S 2.4955940D+02 0.1853026 -0.1121040 -0.0562003 0.0270662 0.0093743
S 1.1131510D+02 0.0272322 0.3116186 0.2142259 -0.1089566 -0.0382830
S 5.5110580D+01 -0.0025378 0.5893614 0.5692008 -0.2955953 -0.1058430
S 2.7496280D+01 0.0013565 0.2596611 0.2259727 -0.1476527 -0.0539043
S 1.3209670D+01 -0.0007806 0.0183690 -0.7338380 0.6511065 0.2569037
S 6.7077410D+00 0.0003589 0.0006525 -0.5875553 0.6999660 0.2993764
S 2.7679910D+00 -0.0001401 -0.0004106 -0.0547284 -0.7453300 -0.4378722
S 1.2992520D+00 0.0000586 0.0000461 0.0036743 -0.7284125 -0.5857618
S 3.2423220D-01 -0.0000144 -0.0000187 -0.0008659 -0.0311663 0.7737527
S 1.2580560D-01 0.0000053 0.0000093 0.0003421 0.0058309 0.5231222
P 2P 3P 4P 5P
BASIS/ORB.ENERGY -173.0122100 -33.8856080 -5.5837300 -0.4017492
P 1.5601290D+06 0.0000336 -0.0000158 -0.0000069 0.0000020
P 2.2165690D+05 0.0001365 -0.0000641 -0.0000280 0.0000083
P 4.8283240D+04 0.0004997 -0.0002353 -0.0001029 0.0000304
P 1.3753130D+04 0.0017460 -0.0008253 -0.0003611 0.0001064
P 4.7194560D+03 0.0059945 -0.0028489 -0.0012474 0.0003684
P 1.8330180D+03 0.0199526 -0.0095915 -0.0042116 0.0012413
P 7.7729630D+02 0.0606046 -0.0297384 -0.0131031 0.0038760
P 3.5284850D+02 0.1538163 -0.0784667 -0.0348766 0.0102945
P 1.6853230D+02 0.2956976 -0.1590743 -0.0714561 0.0212330
P 8.3534380D+01 0.3694665 -0.2067930 -0.0938997 0.0277130
P 4.2271890D+01 0.2325087 -0.0351054 -0.0024520 0.0003810
P 2.1131020D+01 0.0502986 0.3778111 0.2383936 -0.0756681
P 1.0787440D+01 0.0009601 0.5342766 0.3883489 -0.1231035
P 5.4456470D+00 0.0005688 0.1961700 -0.0666643 0.0360463
P 2.6732810D+00 -0.0003605 0.0131779 -0.6252552 0.2659012
P 1.2646400D+00 0.0000766 0.0015743 -0.4414923 0.1984310
P 4.8284950D-01 -0.0000419 -0.0003186 -0.0490121 -0.3198024
P 2.0230920D-01 0.0000198 0.0001173 0.0033712 -0.5919631
P 7.8017180D-02 -0.0000049 -0.0000514 -0.0016594 -0.2820926
D 3D 4D
BASIS/ORB.ENERGY -23.9280280 -2.3025924
D 2.8571150D+03 0.0003585 -0.0001477
D 8.0661310D+02 0.0029530 -0.0012163
D 3.0628700D+02 0.0157909 -0.0065644
D 1.3503150D+02 0.0580245 -0.0242862
D 6.4765720D+01 0.1560122 -0.0666620
D 3.2410230D+01 0.2966837 -0.1252065
D 1.6533210D+01 0.3723363 -0.1478788
D 8.5702670D+00 0.2541217 -0.0190803
D 4.3897500D+00 0.0722022 0.2754392
D 2.1565630D+00 0.0052928 0.4657755
D 1.0106490D+00 0.0001333 0.3365636
D 4.2059200D-01 -0.0000579 0.0825416