HAFNIUM [XE]4F(14)6S(2)5D(2), 3F
CHARGE = 72.000000
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 2 0
*** FINAL SCF RESULTS ***
E =-15076.250511600
ORBITAL ENERGIES AND EXPANSION COEFFICIENTS
S 1S 2S 3S 4S 5S 6S
BASIS/ORB.ENERGY -2414.8412000 -417.9527400 -97.4121000 -20.7404970 -2.9433191 -0.2362307
S 8.7704213D+10 0.0000048 -0.0000018 0.0000009 0.0000004 -0.0000002 0.0000000
S 7.7970269D+09 0.0000203 -0.0000077 0.0000036 0.0000018 -0.0000007 0.0000002
S 1.1833914D+09 0.0000627 -0.0000236 0.0000112 0.0000054 -0.0000022 0.0000006
S 2.3839233D+08 0.0001643 -0.0000618 0.0000292 0.0000143 -0.0000056 0.0000015
S 5.7504405D+07 0.0003978 -0.0001496 0.0000708 0.0000345 -0.0000136 0.0000037
S 1.5279318D+07 0.0009221 -0.0003469 0.0001641 0.0000801 -0.0000316 0.0000085
S 4.4241047D+06 0.0020065 -0.0007558 0.0003576 0.0001746 -0.0000690 0.0000185
S 1.3815280D+06 0.0042201 -0.0015946 0.0007545 0.0003684 -0.0001456 0.0000391
S 4.5812199D+05 0.0086272 -0.0032762 0.0015524 0.0007580 -0.0002994 0.0000805
S 1.6102325D+05 0.0172391 -0.0066127 0.0031351 0.0015321 -0.0006055 0.0001627
S 5.9644584D+04 0.0339572 -0.0132214 0.0062942 0.0030749 -0.0012148 0.0003265
S 2.3252256D+04 0.0658814 -0.0263927 0.0125889 0.0061658 -0.0024380 0.0006551
S 9.4813012D+03 0.1249614 -0.0523058 0.0252372 0.0123540 -0.0048825 0.0013127
S 4.0309921D+03 0.2188864 -0.0998615 0.0485815 0.0239486 -0.0094832 0.0025482
S 1.7813455D+03 0.3167312 -0.1661416 0.0837526 0.0413081 -0.0163542 0.0043984
S 8.1014078D+02 0.2967510 -0.1919352 0.0988549 0.0498161 -0.0198224 0.0053286
S 3.7525819D+02 0.1132778 0.0271458 -0.0238249 -0.0145859 0.0060359 -0.0016273
S 1.7453191D+02 0.0058120 0.5116623 -0.4430410 -0.2465653 0.1003595 -0.0270860
S 8.3439875D+01 0.0010077 0.5191318 -0.5684144 -0.3570357 0.1496522 -0.0405456
S 3.5198825D+01 -0.0007138 0.0911034 0.4801761 0.4732179 -0.2191922 0.0602307
S 1.8293630D+01 0.0004215 -0.0134412 0.8074093 0.9835137 -0.4827293 0.1336126
S 7.4872863D+00 -0.0002015 0.0046148 0.1152849 -0.6010505 0.4305731 -0.1246138
S 3.6780189D+00 0.0001007 -0.0021229 -0.0131238 -0.8743852 0.8038874 -0.2488925
S 1.0597761D+00 -0.0000342 0.0006744 0.0036225 -0.0612681 -0.7154448 0.2868660
S 4.8417790D-01 0.0000167 -0.0003249 -0.0017373 0.0146644 -0.6387569 0.4143144
S 9.0249496D-02 -0.0000043 0.0000829 0.0004196 -0.0030021 -0.0242258 -0.6533012
S 3.5111885D-02 0.0000019 -0.0000366 -0.0001849 0.0012858 0.0069594 -0.5389458
P 2P 3P 4P 5P
BASIS/ORB.ENERGY -367.6887700 -82.0689410 -15.5978640 -1.6023257
P 5.4404988D+07 0.0000087 -0.0000044 -0.0000021 -0.0000007
P 7.7488644D+06 0.0000288 -0.0000146 -0.0000070 -0.0000025
P 1.5931436D+06 0.0000844 -0.0000426 -0.0000205 -0.0000073
P 4.0358704D+05 0.0002323 -0.0001176 -0.0000567 -0.0000200
P 1.1875463D+05 0.0006287 -0.0003190 -0.0001538 -0.0000544
P 3.9432452D+04 0.0017057 -0.0008689 -0.0004194 -0.0001483
P 1.4502016D+04 0.0046880 -0.0024013 -0.0011601 -0.0004102
P 5.8122978D+03 0.0129834 -0.0067103 -0.0032502 -0.0011504
P 2.5023327D+03 0.0353314 -0.0185345 -0.0090023 -0.0031864
P 1.1441524D+03 0.0892445 -0.0480685 -0.0235112 -0.0083396
P 5.5091456D+02 0.1915510 -0.1074154 -0.0529905 -0.0188127
P 2.7695575D+02 0.3130464 -0.1849498 -0.0926691 -0.0330488
P 1.4449133D+02 0.3301528 -0.1877427 -0.0922286 -0.0326433
P 7.7304950D+01 0.1808615 0.0353374 0.0433699 0.0173130
P 4.1691019D+01 0.0367814 0.4120824 0.3122562 0.1214351
P 2.3084638D+01 0.0012962 0.4711973 0.3789742 0.1469084
P 1.2784288D+01 0.0001891 0.1810119 -0.1004651 -0.0673852
P 6.8898813D+00 -0.0001818 0.0209038 -0.5690756 -0.3037737
P 3.7023937D+00 0.0000228 0.0009351 -0.4428081 -0.2675505
P 1.9057350D+00 -0.0000233 0.0002334 -0.1001077 0.1382895
P 9.6136763D-01 0.0000105 -0.0000595 -0.0032732 0.5303901
P 4.5938150D-01 -0.0000033 0.0000147 -0.0009896 0.4484480
P 1.9184705D-01 0.0000008 -0.0000034 0.0002026 0.0945570
D 3D 4D 5D
BASIS/ORB.ENERGY -63.4023030 -8.7437577 -0.2625143
D 1.4778667D+04 0.0001053 -0.0000516 0.0000109
D 4.0909068D+03 0.0006659 -0.0003282 0.0000706
D 1.5291219D+03 0.0034530 -0.0017002 0.0003579
D 6.4578378D+02 0.0155869 -0.0077638 0.0016697
D 2.9552552D+02 0.0560539 -0.0281319 0.0059503
D 1.4339328D+02 0.1552037 -0.0797154 0.0172153
D 7.2045069D+01 0.3077354 -0.1567309 0.0331172
D 3.6826605D+01 0.3874187 -0.1791665 0.0385496
D 1.8954163D+01 0.2396024 0.0399306 -0.0175780
D 9.4983091D+00 0.0528442 0.4065213 -0.0999353
D 4.6160122D+00 0.0024808 0.4766927 -0.1250416
D 2.1348639D+00 0.0005506 0.2017948 0.0499559
D 7.9574421D-01 -0.0000258 0.0181827 0.3641307
D 2.8636074D-01 0.0000259 -0.0010305 0.5132639
D 9.3422636D-02 -0.0000083 0.0003568 0.3185836
F 4F
BASIS/ORB.ENERGY -1.1351790
F 9.2286221D+02 -0.0001699
F 3.2238834D+02 -0.0016554
F 1.3097201D+02 -0.0109413
F 5.8432577D+01 -0.0471050
F 2.7266952D+01 -0.1370828
F 1.3239044D+01 -0.2615937
F 6.4122373D+00 -0.3415237
F 2.9886790D+00 -0.3242041
F 1.2933181D+00 -0.2106655
F 4.9178595D-01 -0.0734901