/usr/share/nwchem/libraries/wtbs is in nwchem-data 6.6+r27746-2.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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5422 5423 5424 5425 5426 5427 5428 5429 5430 5431 5432 5433 5434 5435 5436 5437 5438 5439 5440 5441 5442 5443 5444 5445 5446 5447 5448 5449 5450 5451 5452 5453 5454 5455 5456 5457 5458 5459 5460 5461 5462 5463 5464 5465 5466 5467 5468 5469 5470 5471 5472 5473 5474 5475 5476 5477 5478 5479 5480 5481 5482 5483 5484 5485 5486 5487 5488 5489 5490 5491 5492 5493 5494 5495 5496 5497 5498 5499 5500 5501 5502 5503 5504 5505 5506 5507 5508 5509 5510 5511 5512 5513 5514 5515 5516 5517 5518 5519 5520 5521 5522 5523 5524 5525 5526 5527 5528 5529 5530 5531 5532 5533 5534 5535 5536 5537 5538 5539 5540 5541 5542 5543 5544 5545 5546 5547 5548 5549 5550 5551 5552 5553 5554 5555 5556 5557 5558 5559 5560 5561 5562 5563 5564 5565 5566 5567 5568 5569 5570 5571 5572 5573 5574 5575 5576 5577 5578 5579 5580 5581 5582 5583 5584 5585 5586 5587 5588 5589 5590 5591 5592 5593 5594 5595 5596 5597 5598 5599 5600 5601 5602 5603 5604 5605 5606 5607 5608 5609 5610 5611 5612 5613 5614 5615 5616 5617 5618 5619 5620 5621 5622 5623 5624 5625 5626 5627 5628 5629 5630 5631 5632 5633 5634 5635 5636 5637 5638 5639 5640 5641 5642 5643 5644 5645 5646 5647 5648 5649 5650 5651 5652 5653 5654 5655 5656 5657 5658 5659 5660 5661 5662 5663 5664 5665 5666 5667 5668 5669 5670 5671 5672 5673 5674 5675 5676 5677 5678 5679 5680 5681 5682 5683 5684 5685 5686 5687 5688 5689 5690 5691 5692 5693 5694 5695 5696 5697 5698 5699 5700 5701 5702 5703 5704 5705 5706 5707 5708 5709 5710 5711 5712 5713 5714 5715 5716 5717 5718 5719 5720 5721 5722 5723 5724 5725 5726 5727 5728 5729 5730 5731 5732 5733 5734 5735 5736 5737 5738 5739 5740 5741 5742 5743 5744 5745 5746 5747 5748 5749 5750 5751 5752 5753 5754 5755 5756 5757 5758 5759 5760 5761 5762 5763 | # WTBS EMSL Basis Set Exchange Library 3/15/13 10:17 AM
# S. Huzinaga and B. Miguel, Chem. Phys. Lett. 175, 289 (1990).
# S. Huzinaga and M. Klobukowski, Chem. Phys. Lett. 212, 260 (1993)
#
basis "He_WTBS" SPHERICAL
He S
279303.6000000 3.27396332D-07
53480.6340000 2.00392190D-06
12179.0090000 1.16245413D-05
3255.9044000 5.36358606D-05
1005.0260000 2.08006490D-04
351.2840600 6.92671025D-04
136.1065800 2.04585843D-03
57.2135580 5.49689038D-03
25.5710160 1.37223886D-02
11.9389730 3.19304693D-02
5.7401136 6.83650763D-02
2.8110619 1.29772054D-01
1.3914291 2.10879246D-01
0.69261487 2.80469937D-01
0.34565755 2.72596155D-01
0.17267382 1.38076192D-01
0.86282949E-01 1.94005977D-02
end
basis "Li_WTBS" SPHERICAL
Li S
483307.7200000 4.85854775D-07 7.59166201D-08
90788.6100000 3.05140361D-06 4.76665013D-07
20515.0980000 1.77366412D-05 2.77168150D-06
5484.1328000 8.15223537D-05 1.27351664D-05
1699.6534000 3.13627620D-04 4.90295015D-05
597.0231400 1.03763269D-03 1.62207357D-04
232.1520000 3.05101345D-03 4.78032183D-04
97.6868580 8.19172329D-03 1.28632742D-03
43.5833800 2.04004785D-02 3.22959721D-03
20.2670210 4.71582355D-02 7.55701887D-03
9.6913182 9.88177384D-02 1.62748135D-02
4.7178658 1.80686934D-01 3.11065765D-02
2.3217784 2.73481058D-01 5.19926103D-02
1.1496894 3.06473526D-01 7.55493709D-02
0.57116237 1.86976776D-01 9.27545288D-02
0.28419885 3.50450457D-02 6.03857299D-02
0.14150657 8.33426685D-04 -1.07720377D-01
0.70475145E-01 1.30139383D-04 -4.29047357D-01
0.35101438E-01 3.90821030D-04 -4.76348120D-01
0.17483139E-01 4.71149854D-05 -1.18268922D-01
end
basis "Be_WTBS" SPHERICAL
Be S
791926.4900000 5.48140344D-07 9.98952369D-08
152594.3200000 3.32069560D-06 6.05132040D-07
34946.4260000 1.91484686D-05 3.48987360D-06
9374.5162000 8.81277018D-05 1.60611948D-05
2894.0932000 3.42658648D-04 6.24755975D-05
1007.9657000 1.14994107D-03 2.09787198D-04
387.8318800 3.43310553D-03 6.27620267D-04
161.4924800 9.32691868D-03 1.71183305D-03
71.4057440 2.34161101D-02 4.33797704D-03
32.9814900 5.41827509D-02 1.02161098D-02
15.7027110 1.13044460D-01 2.20662424D-02
7.6277240 2.03692661D-01 4.23879348D-02
3.7522348 2.97434834D-01 7.13885446D-02
1.8596241 2.96646520D-01 1.01613147D-01
0.92543781 1.39229750D-01 9.51667587D-02
0.46150028 1.55638630D-02 -2.57674747D-02
0.23035801 6.86681223D-04 -2.46614604D-01
0.11502470 -3.87797913D-04 -4.39722155D-01
0.57441599E-01 1.88032768D-04 -3.48685098D-01
0.28686125E-01 -4.94350080D-05 -7.24784277D-02
end
basis "B_WTBS" SPHERICAL
B S
1262544.2000000 5.37676932D-07 1.08556177D-07
250189.7900000 3.12581394D-06 6.31230736D-07
58235.6320000 1.78288693D-05 3.59956166D-06
15710.1300000 8.19974451D-05 1.65612586D-05
4833.6537000 3.22611070D-04 6.51550894D-05
1665.9602000 1.10419692D-03 2.23276616D-04
631.1431800 3.38241262D-03 6.84956106D-04
257.9545800 9.44640979D-03 1.92298550D-03
111.7793200 2.44075847D-02 5.01498134D-03
50.5786730 5.79582590D-02 1.21685006D-02
23.5982840 1.23596924D-01 2.69939880D-02
11.2407660 2.24500726D-01 5.31508407D-02
5.4263012 3.19658606D-01 9.03379101D-02
2.6407828 2.83202769D-01 1.21263857D-01
1.2911054 1.01211882D-01 7.46814636D-02
0.63275517 6.52511095D-03 -1.17619472D-01
0.31045529 9.79948955D-04 -3.55649007D-01
0.15239109 -1.69136696D-04 -4.41589642D-01
0.74814128E-01 1.84886629D-04 -2.19497766D-01
0.36730086E-01 -3.40822067D-05 -1.99808910D-02
B P
257.9545800 6.32588084D-05
111.7793200 1.31475027D-04
50.5786730 6.41739873D-04
23.5982840 1.99360592D-03
11.2407660 6.20698603D-03
5.4263012 1.65111193D-02
2.6407828 4.15906223D-02
1.2911054 9.79405490D-02
0.63275517 1.94106199D-01
0.31045529 2.92962157D-01
0.15239109 3.25530456D-01
0.74814128E-01 2.09049700D-01
0.36730086E-01 4.89645649D-02
end
basis "C_WTBS" SPHERICAL
C S
2158490.7000000 4.37542282D-07 9.32156828D-08
429550.7800000 2.53117057D-06 5.39401625D-07
99951.3270000 1.44925361D-05 3.08743447D-06
26848.2830000 6.72164725D-05 1.43262464D-05
8199.1206000 2.67787129D-04 5.70642703D-05
2798.3668000 9.30613357D-04 1.98560655D-04
1048.2982000 2.89996391D-03 6.19483734D-04
423.3698400 8.24881114D-03 1.77110898D-03
181.2684300 2.17501411D-02 4.71049906D-03
81.0682950 5.28872843D-02 1.16994030D-02
37.4039310 1.16159545D-01 2.67177141D-02
17.6295390 2.18247270D-01 5.44461247D-02
8.4254263 3.21522561D-01 9.53868189D-02
4.0611964 2.94250645D-01 1.29048397D-01
1.9672294 1.09046393D-01 7.40343119D-02
0.95541420 7.83077011D-03 -1.34232743D-01
0.46459041 1.37673618D-03 -3.70134155D-01
0.22603305 -1.05837123D-04 -4.31397642D-01
0.10998858 2.30029325D-04 -2.04799930D-01
0.53523003E-01 -3.91304302D-05 -1.82280210D-02
C P
423.3698400 5.91351365D-05
181.2684300 1.30766550D-04
81.0682950 6.37251848D-04
37.4039310 2.06753359D-03
17.6295390 6.66686338D-03
8.4254263 1.85912741D-02
4.0611964 4.82526746D-02
1.9672294 1.12900938D-01
0.95541420 2.14229102D-01
0.46459041 3.03743679D-01
0.22603305 3.11196360D-01
0.10998858 1.84611355D-01
0.53523003E-01 4.05258192D-02
end
basis "N_WTBS" SPHERICAL
N S
3260308.3000000 3.83143251D-07 8.44229218D-08
666094.2500000 2.13354921D-06 4.70264188D-07
157037.1600000 1.21435336D-05 2.67561787D-06
42265.0550000 5.65738517D-05 1.24713937D-05
12820.2600000 2.28899953D-04 5.04467276D-05
4319.7754000 8.12953386D-04 1.79388402D-04
1592.0629000 2.59658136D-03 5.73564695D-04
631.8305400 7.57037908D-03 1.68053765D-03
265.9899100 2.04305730D-02 4.57364727D-03
117.1706200 5.07643188D-02 1.16071814D-02
53.3730440 1.13825077D-01 2.70770001D-02
24.8964120 2.17887284D-01 5.63381000D-02
11.8013500 3.24868018D-01 1.00145137D-01
5.6521249 2.97211399D-01 1.34159477D-01
2.7239663 1.08999078D-01 6.89750751D-02
1.3173740 8.11073444D-03 -1.50847915D-01
0.63824304 1.58108819D-03 -3.80055345D-01
0.30945957 -1.94452268D-05 -4.20653530D-01
0.15008774 2.33712012D-04 -1.92369675D-01
0.72797882E-01 -3.60414137D-05 -1.69241653D-02
N P
631.8305400 5.55726511D-05
265.9899100 1.32627868D-04
117.1706200 6.44451907D-04
53.3730440 2.16969432D-03
24.8964120 7.16169272D-03
11.8013500 2.05499096D-02
5.6521249 5.41282537D-02
2.7239663 1.24924721D-01
1.3173740 2.28051753D-01
0.63824304 3.07888050D-01
0.30945957 2.98446695D-01
0.15008774 1.68692665D-01
0.72797882E-01 3.62965476D-02
end
basis "O_WTBS" SPHERICAL
O S
4585516.2000000 3.52527752D-07 7.99650859D-08
925486.9200000 2.00319362D-06 4.54559143D-07
215772.2900000 1.15459235D-05 2.61885582D-06
57480.7490000 5.45076427D-05 1.23704765D-05
17270.1670000 2.23236045D-04 5.06468737D-05
5766.9282000 8.02110168D-04 1.82221513D-04
2107.0076000 2.59165271D-03 5.89349945D-04
829.0675800 7.64175497D-03 1.74676922D-03
346.0479100 2.08617462D-02 4.81022977D-03
151.1214700 5.24042260D-02 1.23557448D-02
68.2332500 1.18631345D-01 2.91754648D-02
31.5427730 2.27880005D-01 6.13291172D-02
14.8153000 3.34810125D-01 1.09017944D-01
7.0298236 2.88522185D-01 1.39498251D-01
3.3561489 9.28025917D-02 4.91181071D-02
1.6077662 5.82708287D-03 -1.95740338D-01
0.77153240 1.44418931D-03 -4.11233262D-01
0.37052330 1.02087001D-04 -3.95834318D-01
0.17799002 1.70372339D-04 -1.46588982D-01
0.85507949E-01 -1.89613194D-05 -8.93794951D-03
O P
829.0675800 5.83562879D-05
346.0479100 1.44612089D-04
151.1214700 7.04058240D-04
68.2332500 2.42428669D-03
31.5427730 8.14150584D-03
14.8153000 2.38707314D-02
7.0298236 6.35883554D-02
3.3561489 1.42759623D-01
1.6077662 2.43593963D-01
0.77153240 3.04921032D-01
0.37052330 2.80584163D-01
0.17799002 1.57170157D-01
0.85507949E-01 3.55116239D-02
end
basis "F_WTBS" SPHERICAL
F S
6059261.1000000 3.34744155D-07 7.74628633D-08
1228911.8000000 1.88978276D-06 4.37472318D-07
286871.9700000 1.09056629D-05 2.52353411D-06
76276.7390000 5.17214942D-05 1.19748063D-05
22815.9150000 2.13481544D-04 4.94108838D-05
7570.7705000 7.74669751D-04 1.79531797D-04
2745.2997000 2.53084695D-03 5.87131004D-04
1071.4758000 7.54798282D-03 1.76009070D-03
443.5640000 2.08373297D-02 4.90245162D-03
192.1714000 5.28959489D-02 1.27315547D-02
86.1207250 1.20845187D-01 3.03908667D-02
39.5368790 2.33333748D-01 6.44713453D-02
18.4518010 3.40374661D-01 1.14739036D-01
8.7036210 2.83528246D-01 1.42199237D-01
4.1321847 8.47789382D-02 3.54093970D-02
1.9690336 5.12618990D-03 -2.21903896D-01
0.94003492 1.35511999D-03 -4.24246038D-01
0.44916062 1.99456561D-04 -3.77078659D-01
0.21468142 1.26433711D-04 -1.24954252D-01
0.10261793 -6.87286569D-06 -6.47856385D-03
F P
1071.4758000 5.89513874D-05
443.5640000 1.51228834D-04
192.1714000 7.38029255D-04
86.1207250 2.58990973D-03
39.5368790 8.82169099D-03
18.4518010 2.62771107D-02
8.7036210 7.03151435D-02
4.1321847 1.54439236D-01
1.9690336 2.52782412D-01
0.94003492 3.02850673D-01
0.44916062 2.69236455D-01
0.21468142 1.48605055D-01
0.10261793 3.42894227D-02
end
basis "Ne_WTBS" SPHERICAL
Ne S
8133616.4000000 3.02773315D-07 7.10919635D-08
1642270.4000000 1.72438322D-06 4.05023643D-07
380773.8000000 1.00483687D-05 2.35927505D-06
100383.5800000 4.82585233D-05 1.13363830D-05
29737.5270000 2.01887523D-04 4.74129867D-05
9767.4661000 7.42808895D-04 1.74658355D-04
3506.2154000 2.45907748D-03 5.78839961D-04
1355.4374000 7.42394482D-03 1.75633156D-03
556.2762900 2.07155215D-02 4.94563775D-03
239.1820400 5.30800919D-02 1.29669601D-02
106.4971800 1.22187397D-01 3.12288350D-02
48.6267980 2.36959445D-01 6.67239968D-02
22.5913360 3.43961392D-01 1.18817413D-01
10.6154760 2.80062532D-01 1.43637856D-01
5.0231969 7.99610430D-02 2.53183824D-02
2.3865241 4.88203348D-03 -2.38582396D-01
1.1362163 1.29634730D-03 -4.29930830D-01
0.54146718 2.74256732D-04 -3.63850398D-01
0.25813094 9.49920454D-05 -1.13395509D-01
0.12306969 1.88609681D-06 -5.49246214D-03
Ne P
1355.4374000 5.86664618D-05
556.2762900 1.55757176D-04
239.1820400 7.61271357D-04
106.4971800 2.71419149D-03
48.6267980 9.34580606D-03
22.5913360 2.81554493D-02
10.6154760 7.54163342D-02
5.0231969 1.62767112D-01
2.3865241 2.58888439D-01
1.1362163 3.01226781D-01
0.54146718 2.61126125D-01
0.25813094 1.41945715D-01
0.12306969 3.30682749D-02
end
basis "Na_WTBS" SPHERICAL
Na S
10841861.0000000 2.68835285D-07 -6.56311534D-08 -9.86644772D-09
2193388.9000000 1.52650424D-06 -3.72847812D-07 -5.60334414D-08
509121.7000000 8.89079173D-06 -2.17034869D-06 -3.26294377D-07
134196.4200000 4.27549043D-05 -1.04442388D-05 -1.56956914D-06
39688.0420000 1.79488085D-04 -4.38238333D-05 -6.58898331D-06
12995.6240000 6.63995397D-04 -1.62349842D-04 -2.43976667D-05
4645.6061000 2.21307050D-03 -5.41479503D-04 -8.14293586D-05
1787.4459000 6.73185075D-03 -1.65551144D-03 -2.48845193D-04
730.1903900 1.89332227D-02 -4.69429184D-03 -7.06566359D-04
312.7465900 4.89525790D-02 -1.24107892D-02 -1.86857931D-03
138.8966100 1.14042456D-01 -3.01706869D-02 -4.55907766D-03
63.3674510 2.25240376D-01 -6.53966789D-02 -9.92314586D-03
29.4721510 3.37712290D-01 -1.18740970D-01 -1.82618452D-02
13.8913650 2.94366417D-01 -1.50657318D-01 -2.36569657D-02
6.6057465 9.63045626D-02 -4.44482773D-02 -7.18305160D-03
3.1589144 6.70079079D-03 2.21521635D-01 3.89483188D-02
1.5157244 1.65241126D-03 4.45897014D-01 8.49458916D-02
0.72866576 7.09636229D-05 3.82584806D-01 1.12925521D-01
0.35064238 2.24015568D-04 1.02813648D-01 1.13483247D-01
0.16881043 -9.69280444D-05 2.01909766D-03 1.33824105D-02
0.81285587E-01 5.45612505D-05 6.71674188D-04 -3.24562772D-01
0.39142914E-01 -2.51936328D-05 -3.01464426D-05 -5.73347782D-01
0.18849437E-01 5.97147087D-06 1.12959839D-04 -2.31694227D-01
Na P
1787.4459000 5.55067993D-05
730.1903900 1.50098770D-04
312.7465900 7.35659674D-04
138.8966100 2.65050948D-03
63.3674510 9.22086086D-03
29.4721510 2.80883880D-02
13.8913650 7.59539562D-02
6.6057465 1.65953470D-01
3.1589144 2.68309605D-01
1.5157244 3.15579133D-01
0.72866576 2.60538054D-01
0.35064238 1.10002562D-01
0.16881043 1.61711305D-02
end
basis "Mg_WTBS" SPHERICAL
Mg S
13213988.0000000 2.59078550D-07 -6.54481945D-08 -1.26111487D-08
2744119.2000000 1.41526907D-06 -3.57692684D-07 -6.88980160D-08
645993.8700000 8.17840012D-06 -2.06586320D-06 -3.98100189D-07
170972.5900000 3.93596093D-05 -9.94883493D-06 -1.91627573D-06
50385.2600000 1.66893350D-04 -4.21656572D-05 -8.12601846D-06
16355.2370000 6.26853553D-04 -1.58585012D-04 -3.05452454D-05
5780.0158000 2.12458457D-03 -5.37887342D-04 -1.03683295D-04
2197.3623000 6.56644130D-03 -1.67070194D-03 -3.21884776D-04
887.9872700 1.86993644D-02 -4.79743397D-03 -9.25696460D-04
377.1629100 4.87610975D-02 -1.27932404D-02 -2.46956308D-03
166.6381000 1.14008459D-01 -3.12399081D-02 -6.05595571D-03
75.8906310 2.25181736D-01 -6.78109831D-02 -1.32108385D-02
35.3522960 3.36509779D-01 -1.22890321D-01 -2.43219814D-02
16.7386850 2.93628174D-01 -1.55254149D-01 -3.14754914D-02
8.0156338 9.81653251D-02 -4.65475846D-02 -9.77780694D-03
3.8674577 7.30180756D-03 2.25955800D-01 5.18756831D-02
1.8749364 1.59946030D-03 4.65742182D-01 1.20145636D-01
0.91156004 5.17747099D-05 3.78453879D-01 1.70469958D-01
0.44388387 1.97034476D-04 8.30086177D-02 1.13744503D-01
0.21632024 -9.15367482D-05 1.94693743D-03 -1.34037966D-01
0.10545696 5.13364744D-05 -2.57216506D-04 -4.42827199D-01
0.51417029E-01 -2.26532602D-05 1.97114943D-04 -4.70641408D-01
0.25069891E-01 5.77564002D-06 -6.14080877D-05 -1.29850578D-01
Mg P
2197.3623000 5.64586423D-05
887.9872700 1.58909797D-04
377.1629100 7.78738887D-04
166.6381000 2.83566708D-03
75.8906310 9.87700143D-03
35.3522960 3.00721985D-02
16.7386850 8.07851530D-02
8.0156338 1.74543554D-01
3.8674577 2.79423292D-01
1.8749364 3.23996477D-01
0.91156004 2.45565980D-01
0.44388387 8.16888903D-02
0.21632024 1.03046689D-02
end
basis "Al_WTBS" SPHERICAL
Al S
17742122.0000000 2.22092075D-07 -5.77113999D-08 -1.33263134D-08
3557452.1000000 1.28100342D-06 -3.33083729D-07 -7.68887585D-08
817621.3600000 7.55387154D-06 -1.96268459D-06 -4.53239973D-07
213296.1200000 3.68404391D-05 -9.58047224D-06 -2.21149097D-06
62436.9360000 1.56727810D-04 -4.07281872D-05 -9.40592391D-06
20246.9100000 5.87035995D-04 -1.52794519D-04 -3.52698327D-05
7174.6847000 1.97800787D-03 -5.15006365D-04 -1.18965609D-04
2739.9513000 6.07432660D-03 -1.58975539D-03 -3.67077515D-04
1112.5550000 1.72315051D-02 -4.54309032D-03 -1.05056222D-03
474.3496300 4.49770125D-02 -1.21196048D-02 -2.80421233D-03
210.0073600 1.06173456D-01 -2.97939917D-02 -6.92324663D-03
95.6309080 2.14061355D-01 -6.57589222D-02 -1.53649303D-02
44.4427190 3.31842770D-01 -1.22302040D-01 -2.90449264D-02
20.9491280 3.07464307D-01 -1.62141060D-01 -3.95540640D-02
9.9692277 1.12054616D-01 -6.12910323D-02 -1.55576205D-02
4.7731270 8.66374334D-03 2.24210357D-01 6.23463204D-02
2.2937812 1.86925162D-03 4.93519578D-01 1.60844002D-01
1.1046295 -1.84788590D-04 3.76629267D-01 2.29381238D-01
0.53255201 3.23300683D-04 6.31299132D-02 7.74375900D-02
0.25688228 -1.88046348D-04 2.53722431D-03 -2.99795263D-01
0.12393628 1.02964725D-04 -1.03565895D-03 -5.39219539D-01
0.59798846E-01 -4.75463031D-05 6.84276421D-04 -3.24463506D-01
0.28853202E-01 1.20516381D-05 -1.70732137D-04 -3.52609864D-02
Al P
2739.9513000 5.38592503D-05 9.70315400D-06
1112.5550000 1.49600574D-04 2.67851382D-05
474.3496300 7.31669775D-04 1.32037826D-04
210.0073600 2.67892319D-03 4.81477215D-04
95.6309080 9.42919545D-03 1.70721506D-03
44.4427190 2.93253497D-02 5.32449087D-03
20.9491280 8.04973116D-02 1.48516051D-02
9.9692277 1.78742505D-01 3.34645152D-02
4.7731270 2.91631753D-01 5.56172166D-02
2.2937812 3.38506448D-01 6.70652756D-02
1.1046295 2.32128771D-01 5.23815545D-02
0.53255201 6.09824820D-02 -4.13111487D-02
0.25688228 4.52879346D-03 -2.15774349D-01
0.12393628 6.01316209D-04 -3.88585501D-01
0.59798846E-01 1.81672657D-04 -3.62204428D-01
0.28853202E-01 1.85948165D-05 -1.44262558D-01
end
basis "Si_WTBS" SPHERICAL
Si S
23376525.0000000 1.89509624D-07 5.04224275D-08 -1.29179562D-08
4694045.0000000 1.09239919D-06 2.90857110D-07 -7.44881434D-08
1076689.7000000 6.47199679D-06 1.72177824D-06 -4.41144233D-07
279605.1500000 3.18067434D-05 8.46981167D-06 -2.16904716D-06
81349.1250000 1.36513443D-04 3.63220361D-05 -9.30687712D-06
26204.7080000 5.16032076D-04 1.37526172D-04 -3.52188067D-05
9227.7394000 1.75236074D-03 4.67059240D-04 -1.19704913D-04
3505.9512000 5.41589544D-03 1.45074710D-03 -3.71625716D-04
1418.7245000 1.54314657D-02 4.16067835D-03 -1.06751437D-03
604.0517500 4.04670361D-02 1.11370454D-02 -2.85870898D-03
267.6328300 9.62393896D-02 2.74905748D-02 -7.08794510D-03
122.2156300 1.97366439D-01 6.13201437D-02 -1.58941957D-02
57.0628310 3.17716571D-01 1.16468025D-01 -3.06826551D-02
27.0655430 3.21628754D-01 1.64363180D-01 -4.44651241D-02
12.9761490 1.39634959D-01 8.96256388D-02 -2.54103935D-02
6.2650213 1.43254034D-02 -1.79643745D-01 5.56015864D-02
3.0380195 2.20351113D-03 -4.84111666D-01 1.74400611D-01
1.4769351 -3.11505349D-04 -4.15864957D-01 2.66151485D-01
0.71899652 4.62417617D-04 -8.34901230D-02 8.56274950D-02
0.35025254 -2.89658829D-04 -3.21862978D-03 -3.27081385D-01
0.17067018 1.56786918D-04 5.20877220D-04 -5.40657687D-01
0.83171700E-01 -7.39614966D-05 -6.21396315D-04 -3.12448683D-01
0.40532515E-01 1.85340174D-05 1.33593449D-04 -3.52809290D-02
Si P
3505.9512000 4.76724701D-05 1.02050000D-05
1418.7245000 1.34090311D-04 2.85780320D-05
604.0517500 6.54503826D-04 1.40326086D-04
267.6328300 2.40348016D-03 5.14025309D-04
122.2156300 8.48174291D-03 1.82563016D-03
57.0628310 2.65569581D-02 5.73964797D-03
27.0655430 7.36630013D-02 1.61788340D-02
12.9761490 1.67848814D-01 3.75411849D-02
6.2650213 2.84330892D-01 6.49503895D-02
3.0380195 3.43568825D-01 8.17334780D-02
1.4769351 2.43292456D-01 6.26954086D-02
0.71899652 6.57742629D-02 -5.73269797D-02
0.35025254 5.08094691D-03 -2.59067625D-01
0.17067018 6.10553832D-04 -4.06824496D-01
0.83171700E-01 2.27608459D-04 -3.24624270D-01
0.40532515E-01 2.02150365D-05 -1.06952516D-01
end
basis "P_WTBS" SPHERICAL
P S
28578316.0000000 1.74753230D-07 4.74340373D-08 -1.30319188D-08
5799845.8000000 9.92035878D-07 2.69463300D-07 -7.40082103D-08
1337455.4000000 5.86195945D-06 1.59094130D-06 -4.37119746D-07
347673.6100000 2.88487018D-05 7.83700298D-06 -2.15239309D-06
100925.8800000 1.24453471D-04 3.37809146D-05 -9.28203002D-06
32369.2290000 4.73902603D-04 1.28838332D-04 -3.53848437D-05
11337.5320000 1.62168218D-03 4.40903905D-04 -1.21175256D-04
4284.5562000 5.04863895D-03 1.37923104D-03 -3.78917900D-04
1726.0005000 1.44675914D-02 3.97707398D-03 -1.09420910D-03
732.6285600 3.81310068D-02 1.06911865D-02 -2.94339305D-03
324.1830200 9.11519610D-02 2.64888532D-02 -7.32423878D-03
148.1304400 1.88633602D-01 5.94389231D-02 -1.65286954D-02
69.3320800 3.09218551D-01 1.14088954D-01 -3.22403540D-02
33.0196770 3.27040342D-01 1.65759644D-01 -4.81487927D-02
15.9174040 1.55435079D-01 1.04262956D-01 -3.17762786D-02
7.7354733 1.88683076D-02 -1.55585656D-01 5.17478015D-02
3.7786579 2.28820199D-03 -4.79667833D-01 1.87213331D-01
1.8515197 -3.07894176D-04 -4.34922296D-01 2.93994764D-01
0.90879143 4.78347506D-04 -9.36872356D-02 8.19697854D-02
0.44645285 -3.16690044D-04 -4.31800947D-03 -3.50297927D-01
0.21940782 1.66280550D-04 2.72261836D-04 -5.39448109D-01
0.10784200 -8.04187894D-05 -6.75420715D-04 -3.00265283D-01
0.53007719E-01 1.98444917D-05 1.28564885D-04 -3.39506941D-02
P P
4284.5562000 4.45566997D-05 1.06031434D-05
1726.0005000 1.27393493D-04 3.02355004D-05
732.6285600 6.21771106D-04 1.48177120D-04
324.1830200 2.29364482D-03 5.46109963D-04
148.1304400 8.11241774D-03 1.94214956D-03
69.3320800 2.54923203D-02 6.13643467D-03
33.0196770 7.10126092D-02 1.73730818D-02
15.9174040 1.63552122D-01 4.08679464D-02
7.7354733 2.82033482D-01 7.21453789D-02
3.7786579 3.46783423D-01 9.27782548D-02
1.8515197 2.45606872D-01 6.78925307D-02
0.90879143 6.53254802D-02 -7.56205817D-02
0.44645285 5.10886065D-03 -2.91266552D-01
0.21940782 3.84314049D-04 -4.11228792D-01
0.10784200 1.75327147D-04 -2.94136557D-01
0.53007719E-01 -2.29049810D-05 -8.55927616D-02
end
basis "S_WTBS" SPHERICAL
S S
32280958.0000000 1.76030531D-07 -4.86096599D-08 -1.41091775D-08
6606575.8000000 9.87410232D-07 -2.72822926D-07 -7.92013869D-08
1529008.4000000 5.83020353D-06 -1.60981980D-06 -4.67243054D-07
397307.3400000 2.87793362D-05 -7.95258996D-06 -2.30870310D-06
114926.0400000 1.25009740D-04 -3.45224656D-05 -1.00199950D-05
36648.6950000 4.80340986D-04 -1.32831285D-04 -3.85653153D-05
12747.3240000 1.66012039D-03 -4.59248720D-04 -1.33312608D-04
4782.2340000 5.21709389D-03 -1.44987259D-03 -4.21147437D-04
1913.2413000 1.50665033D-02 -4.21626219D-03 -1.22514928D-03
807.3228900 3.98970900D-02 -1.13923897D-02 -3.31746755D-03
355.6173000 9.54038798D-02 -2.83048613D-02 -8.26823330D-03
162.0091300 1.96157247D-01 -6.33368825D-02 -1.86552207D-02
75.7200530 3.15892182D-01 -1.20559116D-01 -3.60597224D-02
36.0628470 3.21527912D-01 -1.70147261D-01 -5.26479150D-02
17.4065730 1.43123952D-01 -9.50939802D-02 -3.06049932D-02
8.4785591 1.56511515D-02 1.84547819D-01 6.49579639D-02
4.1543358 2.07443866D-03 5.07540599D-01 2.23528859D-01
2.0429558 -3.46138837D-04 4.04268844D-01 3.13076801D-01
1.0067406 4.17731847D-04 6.88612269D-02 1.19464582D-02
0.49664328 -2.94296715D-04 5.22668719D-03 -4.24659315D-01
0.24512368 1.47935459D-04 -1.03349703D-03 -5.25079416D-01
0.12100584 -7.27763823D-05 1.06334387D-03 -2.33068294D-01
0.59737830E-01 1.77240665D-05 -2.22113293D-04 -1.94438761D-02
S P
4782.2340000 4.77633605D-05 1.21525159D-05
1913.2413000 1.39691082D-04 3.56479282D-05
807.3228900 6.84509276D-04 1.74337893D-04
355.6173000 2.53951669D-03 6.49458726D-04
162.0091300 9.00488557D-03 2.30782560D-03
75.7200530 2.82140420D-02 7.30213097D-03
36.0628470 7.80722577D-02 2.05224800D-02
17.4065730 1.76297812D-01 4.75644961D-02
8.4785591 2.96765447D-01 8.19736469D-02
4.1543358 3.48646742D-01 1.02657039D-01
2.0429558 2.19943506D-01 5.52054579D-02
1.0067406 4.76309675D-02 -1.28660380D-01
0.49664328 3.93619809D-03 -3.27899080D-01
0.24512368 2.89282462D-04 -3.88587065D-01
0.12100584 4.74735422D-04 -2.53698884D-01
0.59737830E-01 -6.32700233D-06 -7.10414125D-02
end
basis "Cl_WTBS" SPHERICAL
Cl S
36414299.0000000 1.75659213D-07 -4.92300299D-08 -1.48907070D-08
7544906.8000000 9.67052410D-07 -2.71147251D-07 -8.20534823D-08
1759266.2000000 5.68042603D-06 -1.59187682D-06 -4.81454592D-07
458649.4800000 2.79903975D-05 -7.84879787D-06 -2.37525521D-06
132659.6100000 1.21890812D-04 -3.41641568D-05 -1.03324630D-05
42194.5170000 4.70814228D-04 -1.32115241D-04 -3.99867184D-05
14614.8160000 1.63811777D-03 -4.59943949D-04 -1.39114994D-04
5455.7400000 5.18417186D-03 -1.46189563D-03 -4.42716539D-04
2171.9126000 1.50650984D-02 -4.27943251D-03 -1.29561775D-03
912.5077500 4.00845281D-02 -1.16167564D-02 -3.52762512D-03
400.6316100 9.61042973D-02 -2.89681074D-02 -8.81807375D-03
182.1553100 1.97610497D-01 -6.48837535D-02 -1.99459132D-02
85.0861920 3.17072651D-01 -1.23438218D-01 -3.85152006D-02
40.5546250 3.20244786D-01 -1.72929423D-01 -5.60372289D-02
19.6133330 1.41186619D-01 -9.43800805D-02 -3.16507039D-02
9.5820439 1.52773061D-02 1.94368683D-01 7.15050140D-02
4.7128247 1.97705392D-03 5.20266384D-01 2.48551064D-01
2.3277462 -3.67284758D-04 3.91104097D-01 3.23751461D-01
1.1525590 3.88550939D-04 6.06665752D-02 -3.04450802D-02
0.57143297 -2.90676308D-04 5.95290509D-03 -4.57896088D-01
0.28349078 1.40800476D-04 -1.20323620D-03 -5.09466649D-01
0.14067574 -7.05347339D-05 1.19935287D-03 -2.03375639D-01
0.69812057E-01 1.69668918D-05 -2.48019655D-04 -1.53100276D-02
Cl P
5455.7400000 4.83649934D-05 1.29978700D-05
2171.9126000 1.43781207D-04 3.88677325D-05
912.5077500 7.07105990D-04 1.90194381D-04
400.6316100 2.63689697D-03 7.14037666D-04
182.1553100 9.38268931D-03 2.54201595D-03
85.0861920 2.94023740D-02 8.06368119D-03
40.5546250 8.12287573D-02 2.26246665D-02
19.6133330 1.82042736D-01 5.22045535D-02
9.5820439 3.04085256D-01 8.94331087D-02
4.7128247 3.48852034D-01 1.10307310D-01
2.3277462 2.06025883D-01 4.44497948D-02
1.1525590 4.01698380D-02 -1.61593638D-01
0.57143297 3.73365066D-03 -3.44386399D-01
0.28349078 4.05960354D-04 -3.73608438D-01
0.14067574 6.54597500D-04 -2.29905721D-01
0.69812057E-01 2.12226118D-05 -6.24540079D-02
end
basis "Ar_WTBS" SPHERICAL
Ar S
42167954.0000000 1.68684940D-07 -4.78857809D-08 -1.49605952D-08
8762963.1000000 9.24938332D-07 -2.62667335D-07 -8.21172905D-08
2044974.7000000 5.43624430D-06 -1.54313921D-06 -4.82051196D-07
532637.4400000 2.68503834D-05 -7.62569066D-06 -2.38411233D-06
153710.2400000 1.17380437D-04 -3.33253823D-05 -1.04098364D-05
48735.8910000 4.55571143D-04 -1.29474001D-04 -4.04851231D-05
16820.0840000 1.59301084D-03 -4.53056270D-04 -1.41528865D-04
6256.4667000 5.06553649D-03 -1.44660114D-03 -4.52615326D-04
2482.6632000 1.47800687D-02 -4.25231334D-03 -1.32962661D-03
1040.3915000 3.94597555D-02 -1.15786013D-02 -3.63313338D-03
455.9942700 9.48755860D-02 -2.89577249D-02 -9.10477630D-03
207.1676400 1.95695430D-01 -6.50282665D-02 -2.06659109D-02
96.7881310 3.15364753D-01 -1.24172702D-01 -4.00397399D-02
46.1825850 3.21550503D-01 -1.74953325D-01 -5.87160967D-02
22.3773990 1.44681475D-01 -9.85826564D-02 -3.41972231D-02
10.9603360 1.62235783D-02 1.93437255D-01 7.36411905D-02
5.4072874 1.95149954D-03 5.26755866D-01 2.65969154D-01
2.6799809 -3.95165165D-04 3.88761632D-01 3.32750621D-01
1.3318957 3.82503153D-04 5.89886870D-02 -5.47497974D-02
0.66290901 -3.02207484D-04 6.55371792D-03 -4.74255314D-01
0.33017812 1.42444803D-04 -1.18394491D-03 -4.99567255D-01
0.16450060 -7.24345077D-05 1.26192205D-03 -1.89369185D-01
0.81964165E-01 1.72815550D-05 -2.55394355D-04 -1.37909879D-02
Ar P
6256.4667000 4.77838280D-05 1.33087186D-05
2482.6632000 1.43532626D-04 4.02680988D-05
1040.3915000 7.07402623D-04 1.97187336D-04
455.9942700 2.64651240D-03 7.43644064D-04
207.1676400 9.44508415D-03 2.65352147D-03
96.7881310 2.96495859D-02 8.44333638D-03
46.1825850 8.20548916D-02 2.37391272D-02
22.3773990 1.83954462D-01 5.49191423D-02
10.9603360 3.07863500D-01 9.44951241D-02
5.4072874 3.49884080D-01 1.15817445D-01
2.6799809 1.99277871D-01 3.65287605D-02
1.3318957 3.64698939D-02 -1.82883300D-01
0.66290901 2.98519986D-03 -3.53984379D-01
0.33017812 -2.42533690D-04 -3.63855717D-01
0.16450060 2.97396001D-04 -2.14166136D-01
0.81964165E-01 -8.04164883D-05 -5.63510565D-02
end
basis "K_WTBS" SPHERICAL
K S
45541929.0000000 1.74040033D-07 -4.99844042D-08 -1.64663235D-08 3.17952098D-09
9727872.5000000 9.12389454D-07 -2.62133424D-07 -8.64180617D-08 1.66855872D-08
2319268.4000000 5.25592910D-06 -1.50942336D-06 -4.97176829D-07 9.60022815D-08
613552.7000000 2.55256299D-05 -7.33418321D-06 -2.41797831D-06 4.66861691D-07
178871.6200000 1.10579284D-04 -3.17619706D-05 -1.04613516D-05 2.02004884D-06
57024.9640000 4.27711170D-04 -1.22972727D-04 -4.05484652D-05 7.82906192D-06
19713.5360000 1.49718655D-03 -4.30758833D-04 -1.41885590D-04 2.73983845D-05
7324.4672000 4.78092869D-03 -1.38094963D-03 -4.55627568D-04 8.79752675D-05
2898.3116000 1.40307116D-02 -4.08197408D-03 -1.34581103D-03 2.59914342D-04
1210.4578000 3.77089483D-02 -1.11813760D-02 -3.69980330D-03 7.14565758D-04
528.9550700 9.12958546D-02 -2.81298027D-02 -9.32592064D-03 1.80226439D-03
239.9027400 1.89891121D-01 -6.35536686D-02 -2.13016634D-02 4.11940058D-03
112.1023100 3.09896409D-01 -1.22294570D-01 -4.15853871D-02 8.05924973D-03
53.6236210 3.24873324D-01 -1.75517492D-01 -6.21507444D-02 1.20850325D-02
26.1135430 1.55296746D-01 -1.09172207D-01 -4.00580660D-02 7.84107916D-03
12.8870570 1.97309687D-02 1.71668243D-01 6.87422121D-02 -1.35762027D-02
6.4211480 2.01935435D-03 5.15098664D-01 2.73504653D-01 -5.57294740D-02
3.2209352 -4.00943873D-04 4.08995013D-01 3.57383849D-01 -7.68042099D-02
1.6229457 4.29857318D-04 7.28207453D-02 -2.76849585D-02 1.08045746D-02
0.82011791 -3.81726006D-04 7.82800067D-03 -4.89019895D-01 1.19976199D-01
0.41514963 2.29594008D-04 -1.80577072D-03 -5.31002124D-01 1.68254333D-01
0.21035757 -1.68690532D-04 2.33047543D-03 -1.73606598D-01 1.70865946D-01
0.10664212 1.05250077D-04 -1.40883200D-03 -6.36779177D-03 5.86831417D-02
0.54075001E-01 -5.92558848D-05 8.20451373D-04 -1.42309921D-03 -3.45250979D-01
0.27422050E-01 2.60299374D-05 -3.68978363D-04 1.86245879D-04 -6.06215493D-01
0.13906338E-01 -6.42668512D-06 9.05368239D-05 -2.33894583D-04 -2.37236435D-01
K P
7324.4672000 4.48595446D-05 1.36360556D-05
2898.3116000 1.36310820D-04 4.16963919D-05
1210.4578000 6.74334008D-04 2.05180493D-04
528.9550700 2.54183735D-03 7.79011906D-04
239.9027400 9.11314301D-03 2.79486570D-03
112.1023100 2.87040476D-02 8.92047809D-03
53.6236210 7.95638101D-02 2.51455090D-02
26.1135430 1.79131175D-01 5.84699675D-02
12.8870570 3.02580364D-01 1.01806138D-01
6.4211480 3.49339500D-01 1.26536979D-01
3.2209352 2.06020272D-01 4.31085900D-02
1.6229457 4.12207846D-02 -1.89972171D-01
0.82011791 3.30286560D-03 -3.75470665D-01
0.41514963 -1.97278522D-04 -3.79212886D-01
0.21035757 2.60641399D-04 -1.80003858D-01
0.10664212 -8.41735878D-05 -3.40695477D-02
end
basis "Ca_WTBS" SPHERICAL
Ca S
53505253.0000000 1.62160749D-07 -4.70634118D-08 -1.62238145D-08 3.87383788D-09
11371432.0000000 8.57361463D-07 -2.48924268D-07 -8.58860966D-08 2.05047778D-08
2699633.4000000 4.95983961D-06 -1.43939411D-06 -4.96106055D-07 1.18460642D-07
711711.5300000 2.41874355D-05 -7.02305087D-06 -2.42327908D-06 5.78539630D-07
206930.7100000 1.05082125D-04 -3.05006538D-05 -1.05118324D-05 2.51005959D-06
65841.1220000 4.07285754D-04 -1.18334304D-04 -4.08377361D-05 9.74962268D-06
22732.1380000 1.42733354D-03 -4.14958440D-04 -1.43016478D-04 3.41515372D-05
8440.3762000 4.56091549D-03 -1.33110188D-03 -4.59667967D-04 1.09744553D-04
3339.4469000 1.33899126D-02 -3.93490170D-03 -1.35739739D-03 3.24195155D-04
1395.1510000 3.60243617D-02 -1.07842591D-02 -3.73507544D-03 8.91992369D-04
610.0917100 8.74666744D-02 -2.71733050D-02 -9.42546571D-03 2.25287415D-03
276.9778000 1.83242588D-01 -6.16837636D-02 -2.16427911D-02 5.17614516D-03
129.5852200 3.03621314D-01 -1.19818045D-01 -4.26198094D-02 1.02208429D-02
62.0725250 3.28764577D-01 -1.75997661D-01 -6.52536228D-02 1.57039600D-02
30.2733760 1.66818285D-01 -1.19626531D-01 -4.59785606D-02 1.11623449D-02
14.9634950 2.34130820D-02 1.54214033D-01 6.43291717D-02 -1.57776556D-02
7.4678575 2.08454603D-03 5.11859502D-01 2.85600262D-01 -7.25464644D-02
3.7521526 -3.97522858D-04 4.23297791D-01 3.81600165D-01 -1.03031611D-01
1.8937514 4.35142267D-04 7.97447622D-02 -2.31031796D-02 1.29422955D-02
0.95855642 -3.99781804D-04 8.17901154D-03 -5.34759005D-01 1.66132828D-01
0.48603616 2.41150379D-04 -1.76318617D-03 -5.41928818D-01 2.63515713D-01
0.24668572 -1.76399414D-04 2.23959188D-03 -1.31521440D-01 1.88069313D-01
0.12526678 1.10807662D-04 -1.39172988D-03 -4.43552536D-03 -1.40008170D-01
0.63624508E-01 -6.23907513D-05 8.10349079D-04 4.50308369D-04 -5.03590722D-01
0.32318284E-01 2.73283503D-05 -3.60878276D-04 -3.16987066D-04 -4.82697939D-01
0.16416536E-01 -6.77098112D-06 9.02653466D-05 9.43869985D-05 -1.02274416D-01
Ca P
8440.3762000 4.27821556D-05 1.38888133D-05
3339.4469000 1.30018455D-04 4.25481722D-05
1395.1510000 6.43070566D-04 2.08944579D-04
610.0917100 2.42432287D-03 7.94595459D-04
276.9778000 8.70931826D-03 2.85340138D-03
129.5852200 2.75441964D-02 9.15469536D-03
62.0725250 7.68661602D-02 2.59682108D-02
30.2733760 1.75115695D-01 6.12196970D-02
14.9634950 3.00538876D-01 1.08438954D-01
7.4678575 3.52182741D-01 1.36984232D-01
3.7521526 2.10043505D-01 4.52639942D-02
1.8937514 4.25134300D-02 -2.07219652D-01
0.95855642 3.26696303D-03 -4.07447550D-01
0.48603616 -2.42728962D-04 -3.77995890D-01
0.24668572 2.38585758D-04 -1.37308303D-01
0.12526678 -9.71284328D-05 -2.16010684D-02
end
basis "Sc_WTBS" SPHERICAL
Sc S
27624024.0000000 4.19417704D-07 -1.22911867D-07 -4.32822283D-08 -1.02686298D-08
5892699.9000000 2.18725725D-06 -6.40800037D-07 -2.25807069D-07 -5.35771206D-08
1424192.1000000 1.22595609D-05 -3.59305661D-06 -1.26507008D-06 -3.00129691D-07
386819.1700000 5.69967190D-05 -1.66997542D-05 -5.88516953D-06 -1.39638507D-06
116960.9700000 2.33594769D-04 -6.84909084D-05 -2.41132487D-05 -5.72066353D-06
38960.3140000 8.47419613D-04 -2.48546530D-04 -8.76129898D-05 -2.07887819D-05
14138.2140000 2.76738814D-03 -8.13866864D-04 -2.86570738D-04 -6.79875065D-05
5525.3488000 8.22157448D-03 -2.42889571D-03 -8.57069215D-04 -2.03391544D-04
2299.1501000 2.23914861D-02 -6.69993315D-03 -2.36277414D-03 -5.60664876D-04
1007.6090000 5.56170011D-02 -1.70617051D-02 -6.04719457D-03 -1.43586311D-03
460.4504700 1.23236986D-01 -3.99257383D-02 -1.41952580D-02 -3.37184632D-03
217.4553600 2.30471471D-01 -8.29469531D-02 -2.99406132D-02 -7.12551300D-03
105.3232100 3.25458681D-01 -1.44677407D-01 -5.32589939D-02 -1.27062131D-02
51.9840080 2.75441734D-01 -1.72370177D-01 -6.67921091D-02 -1.60380827D-02
26.0114450 9.69356474D-02 -4.69396707D-02 -1.83652602D-02 -4.42261278D-03
13.1416580 8.26044084D-03 2.86993688D-01 1.32147112D-01 3.24370685D-02
6.6832952 1.13438232D-03 5.44436951D-01 3.64962612D-01 9.45356317D-02
3.4135234 -1.96409863D-04 2.95896960D-01 3.02815317D-01 8.12880198D-02
1.7481912 1.14040752D-04 3.44208457D-02 -2.12610748D-01 -6.75908863D-02
0.89675308 -1.46308436D-04 5.13111218D-03 -6.06212706D-01 -2.03645762D-01
0.46041065 6.85746347D-05 -1.10160097D-03 -4.17518380D-01 -2.59434790D-01
0.23649218 -5.23966399D-05 1.30069835D-03 -5.87785951D-02 -1.04934173D-01
0.12150088 3.21762633D-05 -7.83338450D-04 -5.12281600D-03 2.27631922D-01
0.62427778E-01 -1.79307028D-05 4.46437606D-04 2.34546307D-03 5.22909073D-01
0.32076543E-01 7.76848770D-06 -1.95388625D-04 -1.12378238D-03 4.04945042D-01
0.16481611E-01 -1.90054988D-06 4.81108634D-05 2.88325164D-04 6.67092763D-02
Sc P
14138.2140000 2.10038753D-05 7.05572058D-06
5525.3488000 6.67230197D-05 2.23611170D-05
2299.1501000 3.25509981D-04 1.09494218D-04
1007.6090000 1.24001120D-03 4.16823361D-04
460.4504700 4.46794965D-03 1.50988273D-03
217.4553600 1.45402792D-02 4.93965027D-03
105.3232100 4.23467083D-02 1.46061157D-02
51.9840080 1.07597126D-01 3.80189240D-02
26.0114450 2.17927319D-01 7.96465337D-02
13.1416580 3.30383543D-01 1.26291658D-01
6.6832952 3.18626547D-01 1.27125917D-01
3.4135234 1.39708412D-01 -3.24214238D-02
1.7481912 1.94434694D-02 -2.94563472D-01
0.89675308 1.40572354D-03 -4.24340784D-01
0.46041065 -2.69133218D-05 -3.02039818D-01
0.23649218 9.76205675D-05 -7.92859311D-02
0.12150088 -3.67339887D-05 -1.12365509D-02
Sc D
217.4553600 1.78423697D-04
105.3232100 4.58764056D-04
51.9840080 2.28250239D-03
26.0114450 7.68398786D-03
13.1416580 2.24516901D-02
6.6832952 5.55668856D-02
3.4135234 1.22409706D-01
1.7481912 2.04487084D-01
0.89675308 2.66232286D-01
0.46041065 2.78619098D-01
0.23649218 2.30960503D-01
0.12150088 1.25642900D-01
0.62427778E-01 4.82123941D-02
end
basis "Ti_WTBS" SPHERICAL
Ti S
31974270.0000000 3.92301821D-07 -1.15931078D-07 -4.14278610D-08 -9.62223301D-09
6845386.9000000 2.03408572D-06 -6.00970600D-07 -2.14911541D-07 -4.99199191D-08
1658413.9000000 1.13803759D-05 -3.36334232D-06 -1.20169735D-06 -2.79107679D-07
451045.7100000 5.28479386D-05 -1.56152847D-05 -5.58458488D-06 -1.29720482D-06
136451.1600000 2.16591940D-04 -6.40359902D-05 -2.28780224D-05 -5.31364737D-06
45447.7520000 7.86295282D-04 -2.32561264D-04 -8.31937017D-05 -1.93250437D-05
16484.0280000 2.57107161D-03 -7.62313512D-04 -2.72380940D-04 -6.32644175D-05
6437.5646000 7.65196252D-03 -2.27884254D-03 -8.16030390D-04 -1.89578381D-04
2676.7878000 2.08949108D-02 -6.29756394D-03 -2.25351704D-03 -5.23514806D-04
1172.4007000 5.21258434D-02 -1.60901252D-02 -5.78668590D-03 -1.34507145D-03
535.5498300 1.16423176D-01 -3.78467906D-02 -1.36505358D-02 -3.17437149D-03
252.8952000 2.20923438D-01 -7.94055878D-02 -2.90696540D-02 -6.77210630D-03
122.5117800 3.20802421D-01 -1.40942473D-01 -5.25790172D-02 -1.22798466D-02
60.4969480 2.86270245D-01 -1.75624112D-01 -6.89136201D-02 -1.61945153D-02
30.2937540 1.10305645D-01 -6.52431888D-02 -2.62496413D-02 -6.20140405D-03
15.3201120 1.05801393D-02 2.61391267D-01 1.21341083D-01 2.91448317D-02
7.8001886 1.29619102D-03 5.45327766D-01 3.63541349D-01 9.19444078D-02
3.9891568 -2.82044585D-04 3.20451034D-01 3.24434393D-01 8.54155400D-02
2.0458573 1.95531158D-04 4.14477736D-02 -1.90642105D-01 -6.00548207D-02
1.0509883 -2.09516570D-04 5.74527650D-03 -5.99632202D-01 -1.95799178D-01
0.54041627 1.12827836D-04 -1.25566844D-03 -4.34242421D-01 -2.49146465D-01
0.27801570 -8.31537465D-05 1.49900705D-03 -7.05746913D-02 -1.15790814D-01
0.14305645 5.17112920D-05 -9.06252496D-04 -4.99418697D-03 1.88862789D-01
0.73618023E-01 -2.88816475D-05 5.19093658D-04 1.94261386D-03 4.88868747D-01
0.37885504E-01 1.25237762D-05 -2.27479352D-04 -9.57353362D-04 4.38238609D-01
0.19496860E-01 -3.06259005D-06 5.60028477D-05 2.47693896D-04 1.01259865D-01
Ti P
16484.0280000 1.92243426D-05 6.59867952D-06
6437.5646000 6.12424566D-05 2.09598301D-05
2676.7878000 2.99100134D-04 1.02806308D-04
1172.4007000 1.14243706D-03 3.92205977D-04
535.5498300 4.13089025D-03 1.42620957D-03
252.8952000 1.35215233D-02 4.69103151D-03
122.5117800 3.96912957D-02 1.39806850D-02
60.4969480 1.02108126D-01 3.68324964D-02
30.2937540 2.10859112D-01 7.87627880D-02
15.3201120 3.27042937D-01 1.27746738D-01
7.8001886 3.25064320D-01 1.32693655D-01
3.9891568 1.48922382D-01 -2.46563791D-02
2.0458573 2.20046836D-02 -2.91210592D-01
1.0509883 1.70514834D-03 -4.23232335D-01
0.54041627 8.19543368D-06 -3.06265282D-01
0.27801570 1.37885820D-04 -8.44581752D-02
0.14305645 -3.74843658D-05 -1.20421136D-02
Ti D
252.8952000 1.83269753D-04
122.5117800 4.75408785D-04
60.4969480 2.37072246D-03
30.2937540 8.10157773D-03
15.3201120 2.40370692D-02
7.8001886 6.01371743D-02
3.9891568 1.31912730D-01
2.0458573 2.18230014D-01
1.0509883 2.77281228D-01
0.54041627 2.78826795D-01
0.27801570 2.13793524D-01
0.14305645 1.05798294D-01
0.73618023E-01 3.33607341D-02
end
basis "V_WTBS" SPHERICAL
V S
36641923.0000000 3.70089325D-07 -1.10190965D-07 -3.98309202D-08 -9.04705333D-09
7842176.5000000 1.91991380D-06 -5.71529954D-07 -2.06746258D-07 -4.69622070D-08
1899441.1000000 1.07440720D-05 -3.19918755D-06 -1.15622701D-06 -2.62618155D-07
516500.1200000 4.99050514D-05 -1.48572706D-05 -5.37493262D-06 -1.22091870D-06
156226.8300000 2.04578764D-04 -6.09383363D-05 -2.20222891D-05 -5.00198771D-06
52025.9230000 7.42914128D-04 -2.21384823D-04 -8.01114915D-05 -1.81978233D-05
18866.4420000 2.43044500D-03 -7.25941795D-04 -2.62371746D-04 -5.95946533D-05
7366.2961000 7.23994538D-03 -2.17180270D-03 -7.86687597D-04 -1.78721280D-04
3062.0876000 1.98038753D-02 -6.00895671D-03 -2.17490573D-03 -4.94102641D-04
1340.6858000 4.95692672D-02 -1.53914983D-02 -5.59900107D-03 -1.27265382D-03
612.1638000 1.11420664D-01 -3.63642858D-02 -1.32642096D-02 -3.01644654D-03
288.9317000 2.13881083D-01 -7.69179258D-02 -2.84734802D-02 -6.48616362D-03
139.8915500 3.17151041D-01 -1.38428544D-01 -5.21933589D-02 -1.19202303D-02
69.0369530 2.93927162D-01 -1.78003975D-01 -7.05621080D-02 -1.62118741D-02
34.5473730 1.20413257D-01 -7.77672282D-02 -3.18349405D-02 -7.36187897D-03
17.4590620 1.24995473D-02 2.45843169D-01 1.15276595D-01 2.70794878D-02
8.8827648 1.39404438D-03 5.47026361D-01 3.65760449D-01 9.03301165D-02
4.5394020 -3.42250495D-04 3.34505566D-01 3.36343449D-01 8.66182976D-02
2.3262725 2.51308330D-04 4.53795556D-02 -1.84676920D-01 -5.71670504D-02
1.1941154 -2.52259151D-04 6.11289957D-03 -5.97987180D-01 -1.90747159D-01
0.61353198 1.43788749D-04 -1.34705419D-03 -4.38390026D-01 -2.39818550D-01
0.31538196 -1.04372244D-04 1.60694951D-03 -7.53735082D-02 -1.17005101D-01
0.16215594 6.52531159D-05 -9.73083631D-04 -4.91377721D-03 1.66557209D-01
0.83380992E-01 -3.64846584D-05 5.58829017D-04 1.71975763D-03 4.65778247D-01
0.42875910E-01 1.58376810D-05 -2.45215129D-04 -8.64456281D-04 4.50570449D-01
0.22047649E-01 -3.87702297D-06 6.04437936D-05 2.25035553D-04 1.27951711D-01
V P
18866.4420000 1.80110077D-05 6.28862577D-06
7366.2961000 5.74505705D-05 1.99946221D-05
3062.0876000 2.80719303D-04 9.81506736D-05
1340.6858000 1.07453982D-03 3.75153378D-04
612.1638000 3.89740614D-03 1.36865580D-03
288.9317000 1.28290155D-02 4.52614289D-03
139.8915500 3.79403855D-02 1.35900975D-02
69.0369530 9.86661779D-02 3.61912967D-02
34.5473730 2.06885687D-01 7.86577593D-02
17.4590620 3.26135669D-01 1.29756396D-01
8.8827648 3.29224310D-01 1.36563110D-01
4.5394020 1.53301780D-01 -2.31553115D-02
2.3262725 2.30799362D-02 -2.93939054D-01
1.1941154 1.88903650D-03 -4.23386236D-01
0.61353198 4.36798743D-05 -3.04593950D-01
0.31538196 1.65402866D-04 -8.48822597D-02
0.16215594 -3.58163146D-05 -1.19323556D-02
V D
288.9317000 1.85719738D-04
139.8915500 4.86991482D-04
69.0369530 2.43542650D-03
34.5473730 8.43610256D-03
17.4590620 2.53731492D-02
8.8827648 6.41186364D-02
4.5394020 1.39843628D-01
2.3262725 2.27955072D-01
1.1941154 2.82658413D-01
0.61353198 2.75081331D-01
0.31538196 2.02148089D-01
0.16215594 9.54780442D-02
0.83380992E-01 2.79455133D-02
end
basis "Cr_WTBS" SPHERICAL
Cr S
39452193.0000000 3.79596174D-07 -1.13808093D-07 -4.11833912D-08 -8.70070530D-09
8183165.5000000 2.06888094D-06 -6.19967541D-07 -2.24470533D-07 -4.74302898D-08
1941276.7000000 1.17669999D-05 -3.52841406D-06 -1.27666322D-06 -2.69708491D-07
521633.5900000 5.52292939D-05 -1.65511353D-05 -5.99308218D-06 -1.26635192D-06
157005.1500000 2.26704588D-04 -6.80097614D-05 -2.46062620D-05 -5.19822883D-06
52286.9280000 8.20171309D-04 -2.46027263D-04 -8.91073800D-05 -1.88295101D-05
19017.8730000 2.66649262D-03 -8.02379133D-04 -2.90352470D-04 -6.13386301D-05
7456.0343000 7.89041073D-03 -2.38360133D-03 -8.64190181D-04 -1.82642896D-04
3110.8782000 2.14675449D-02 -6.57095460D-03 -2.38177063D-03 -5.03250501D-04
1364.9391000 5.35034771D-02 -1.67696836D-02 -6.10742496D-03 -1.29155529D-03
623.0999100 1.19720380D-01 -3.96343251D-02 -1.44906534D-02 -3.06492490D-03
293.2272900 2.27457115D-01 -8.34998448D-02 -3.09897896D-02 -6.56937773D-03
141.1577000 3.27816747D-01 -1.48725423D-01 -5.64272484D-02 -1.19889114D-02
69.0803280 2.82127493D-01 -1.80072057D-01 -7.19693950D-02 -1.54024239D-02
34.2010640 9.83456800D-02 -4.60682903D-02 -1.90631357D-02 -4.08670120D-03
17.0670600 7.34778359D-03 3.27057716D-01 1.62286784D-01 3.56171819D-02
8.5612492 1.10122545D-03 5.63280412D-01 4.14274441D-01 9.61811339D-02
4.3086647 -3.29127888D-04 2.52657233D-01 2.47340025D-01 5.91775139D-02
2.1727396 1.74545720D-04 2.19802278D-02 -3.41193394D-01 -9.61209257D-02
1.0968856 -1.77995024D-04 3.99209884D-03 -6.08082195D-01 -1.98076623D-01
0.55408178 9.86324142D-05 -6.94644773D-04 -3.24895141D-01 -1.91459065D-01
0.27997009 -6.96349003D-05 8.11185342D-04 -3.64858866D-02 -6.00856548D-02
0.14148265 4.33952359D-05 -4.25228009D-04 -4.22252910D-03 1.97754254D-01
0.71501358E-01 -2.41671349D-05 3.55078592D-04 1.94018980D-03 4.94812241D-01
0.36135240E-01 1.06771815D-05 -3.70824876D-05 -7.50351281D-04 4.12081479D-01
0.18262014E-01 -2.62390228D-06 4.24531199D-05 2.47876689D-04 7.45223470D-02
Cr P
19017.8730000 2.08833509D-05 7.29593135D-06
7456.0343000 6.57786908D-05 2.30303532D-05
3110.8782000 3.19969450D-04 1.11896850D-04
1364.9391000 1.22235385D-03 4.28892174D-04
623.0999100 4.43436276D-03 1.55957897D-03
293.2272900 1.46694093D-02 5.20307888D-03
141.1577000 4.35723494D-02 1.56743156D-02
69.0803280 1.13129888D-01 4.18782361D-02
34.2010640 2.32543347D-01 8.92326130D-02
17.0670600 3.49756079D-01 1.41905509D-01
8.5612492 3.09779897D-01 1.21913349D-01
4.3086647 1.11734187D-01 -9.25362624D-02
2.1727396 1.19108224D-02 -3.57190549D-01
1.0968856 1.10252568D-03 -4.12799326D-01
0.55408178 2.08732918D-04 -2.41098370D-01
0.27997009 7.49720785D-05 -5.44761452D-02
0.14148265 1.25385523D-05 -6.43136789D-03
Cr D
293.2272900 2.16296412D-04
141.1577000 5.86866770D-04
69.0803280 2.92874400D-03
34.2010640 1.02266139D-02
17.0670600 3.05665469D-02
8.5612492 7.72399167D-02
4.3086647 1.59935066D-01
2.1727396 2.39809608D-01
1.0968856 2.74761574D-01
0.55408178 2.53538709D-01
0.27997009 1.95834127D-01
0.14148265 1.06790122D-01
0.71501358E-01 4.16396689D-02
end
basis "Mn_WTBS" SPHERICAL
Mn S
47145111.0000000 3.33643235D-07 -1.00627199D-07 -3.69773915D-08 -8.01611586D-09
10045644.0000000 1.74304604D-06 -5.25621576D-07 -1.93303486D-07 -4.19053956D-08
2426015.7000000 9.77628323D-06 -2.94872547D-06 -1.08337678D-06 -2.34858801D-07
658562.0000000 4.54810878D-05 -1.37161007D-05 -5.04469665D-06 -1.09361932D-06
199043.0100000 1.86512471D-04 -5.62751405D-05 -2.06740553D-05 -4.48182206D-06
66275.2440000 6.77233532D-04 -2.04422289D-04 -7.52054346D-05 -1.63037216D-05
24038.5180000 2.21530323D-03 -6.70117072D-04 -2.46202346D-04 -5.33748069D-05
9388.1747000 6.60287650D-03 -2.00548213D-03 -7.38535121D-04 -1.60121332D-04
3902.9530000 1.81000330D-02 -5.55640318D-03 -2.04422106D-03 -4.43265419D-04
1708.4470000 4.55416515D-02 -1.42874053D-02 -5.28329133D-03 -1.14601426D-03
779.5571600 1.03453318D-01 -3.40116945D-02 -1.26071149D-02 -2.73644838D-03
367.5065800 2.02452954D-01 -7.29496359D-02 -2.74372801D-02 -5.96383949D-03
177.6367100 3.10599236D-01 -1.34370251D-01 -5.14353145D-02 -1.12113740D-02
87.4761380 3.05555725D-01 -1.81429684D-01 -7.29670016D-02 -1.59908084D-02
43.6625830 1.37367042D-01 -9.69967366D-02 -4.05953062D-02 -8.97197981D-03
22.0014300 1.60805763D-02 2.23303556D-01 1.06461938D-01 2.38870682D-02
11.1581900 1.52034708D-03 5.50828961D-01 3.71126740D-01 8.72425312D-02
5.6828864 -4.24566185D-04 3.53618523D-01 3.51540916D-01 8.63683479D-02
2.9019530 3.29819388D-04 5.02911136D-02 -1.82854309D-01 -5.42420926D-02
1.4841962 -3.11370356D-04 6.63016327D-03 -5.97280744D-01 -1.81366155D-01
0.75974773 1.87935947D-04 -1.49879649D-03 -4.39291605D-01 -2.23220661D-01
0.38908091 -1.34286161D-04 1.75927679D-03 -7.96422717D-02 -1.14034314D-01
0.19929586 8.44127900D-05 -1.06864549D-03 -4.74298882D-03 1.34189800D-01
0.10209183 -4.72769926D-05 6.15535184D-04 1.45273535D-03 4.32507513D-01
0.52299121E-01 2.05782791D-05 -2.70906881D-04 -7.52041593D-04 4.56646920D-01
0.26791688E-01 -5.05608506D-06 6.70375688D-05 1.97876232D-04 1.74937528D-01
Mn P
24038.5180000 1.62070219D-05 5.80366061D-06
9388.1747000 5.17027837D-05 1.84446294D-05
3902.9530000 2.52684947D-04 9.06137121D-05
1708.4470000 9.70342291D-04 3.47289140D-04
779.5571600 3.53792452D-03 1.27405237D-03
367.5065800 1.17665784D-02 4.25552640D-03
177.6367100 3.52843612D-02 1.29561963D-02
87.4761380 9.35730151D-02 3.51823461D-02
43.6625830 2.01424229D-01 7.86247324D-02
22.0014300 3.26063984D-01 1.33410643D-01
11.1581900 3.35742677D-01 1.42392732D-01
5.6828864 1.58353749D-01 -2.40846663D-02
2.9019530 2.40317659D-02 -3.01789573D-01
1.4841962 2.15300221D-03 -4.23994774D-01
0.75974773 9.97877345D-05 -2.98985888D-01
0.38908091 2.07016032D-04 -8.32633353D-02
0.19929586 -3.32914953D-05 -1.11781428D-02
Mn D
367.5065800 1.86245659D-04
177.6367100 4.99413918D-04
87.4761380 2.51219941D-03
43.6625830 8.92347370D-03
22.0014300 2.75103486D-02
11.1581900 7.07926536D-02
5.6828864 1.52882914D-01
2.9019530 2.42600564D-01
1.4841962 2.88776524D-01
0.75974773 2.67285696D-01
0.38908091 1.85185293D-01
0.19929586 8.20067663D-02
0.10209183 2.16462685D-02
end
basis "Fe_WTBS" SPHERICAL
Fe S
53946029.0000000 3.12878672D-07 -9.48947967D-08 -3.51371587D-08 -7.51581026D-09
11304393.0000000 1.67901529D-06 -5.09144387D-07 -1.88676442D-07 -4.03590572D-08
2697672.1000000 9.51333435D-06 -2.88555156D-06 -1.06825870D-06 -2.28498127D-07
726658.1100000 4.46032753D-05 -1.35265279D-05 -5.01307169D-06 -1.07233211D-06
218683.9300000 1.83463570D-04 -5.56666490D-05 -2.06064232D-05 -4.40766510D-06
72696.5290000 6.66277412D-04 -2.02235672D-04 -7.49717735D-05 -1.60373328D-05
26373.5620000 2.17578736D-03 -6.61857311D-04 -2.45017773D-04 -5.24101623D-05
10313.7220000 6.46989598D-03 -1.97587663D-03 -7.33230143D-04 -1.56862654D-04
4295.2047000 1.77005018D-02 -5.46326461D-03 -2.02520703D-03 -4.33285766D-04
1883.2040000 4.45108464D-02 -1.40337489D-02 -5.22947551D-03 -1.11931106D-03
860.2593800 1.01300570D-01 -3.34506782D-02 -1.24929254D-02 -2.67545803D-03
405.7032100 1.99305796D-01 -7.20250664D-02 -2.72974211D-02 -5.85494886D-03
196.0049500 3.08864770D-01 -1.33693078D-01 -5.15611384D-02 -1.10884226D-02
96.3921860 3.08852831D-01 -1.82955557D-01 -7.41487825D-02 -1.60366686D-02
48.0104290 1.41799966D-01 -1.01793607D-01 -4.30261744D-02 -9.37966987D-03
24.1243100 1.68419431D-02 2.22716134D-01 1.07544219D-01 2.38160469D-02
12.1936970 1.53765650D-03 5.56408456D-01 3.80233667D-01 8.82915492D-02
6.1867732 -4.64044631D-04 3.52461937D-01 3.50745095D-01 8.49577460D-02
3.1463420 3.55893319D-04 4.82718494D-02 -2.01819999D-01 -5.85243507D-02
1.6022734 -3.28791647D-04 6.61176762D-03 -6.06139716D-01 -1.83835461D-01
0.81655825 2.01890499D-04 -1.58986670D-03 -4.24971820D-01 -2.18397837D-01
0.41629091 -1.42949093D-04 1.78338319D-03 -7.16311926D-02 -1.03255057D-01
0.21226448 9.00175763D-05 -1.08528704D-03 -4.66166452D-03 1.42628644D-01
0.10823916 -5.04726233D-05 6.24971989D-04 1.57644477D-03 4.31480242D-01
0.55194964E-01 2.20311957D-05 -2.75547040D-04 -8.07406953D-04 4.50341525D-01
0.28145964E-01 -5.43617170D-06 6.84381775D-05 2.11869714D-04 1.70469787D-01
Fe P
26373.5620000 1.59904665D-05 5.79286896D-06
10313.7220000 5.07836713D-05 1.83293807D-05
4295.2047000 2.47568057D-04 8.98147087D-05
1883.2040000 9.48861541D-04 3.43585958D-04
860.2593800 3.45824209D-03 1.25992423D-03
405.7032100 1.15359935D-02 4.22133461D-03
196.0049500 3.47655822D-02 1.29162464D-02
96.3921860 9.29124117D-02 3.53578771D-02
48.0104290 2.01795504D-01 7.97819366D-02
24.1243100 3.28931641D-01 1.36530185D-01
12.1936970 3.37202304D-01 1.44094278D-01
6.1867732 1.55692527D-01 -3.19364054D-02
3.1463420 2.26866650D-02 -3.14283788D-01
1.6022734 2.12093483D-03 -4.26451604D-01
0.81655825 1.10766526D-04 -2.87991350D-01
0.41629091 2.15096683D-04 -7.57544532D-02
0.21226448 -2.95564928D-05 -9.79808020D-03
Fe D
405.7032100 1.88773765D-04
196.0049500 5.10885676D-04
96.3921860 2.57715780D-03
48.0104290 9.25938696D-03
24.1243100 2.88415136D-02
12.1936970 7.48647511D-02
6.1867732 1.60115540D-01
3.1463420 2.48314114D-01
1.6022734 2.87915977D-01
0.81655825 2.61006283D-01
0.41629091 1.80528176D-01
0.21226448 8.14357013D-02
0.10823916 2.25938480D-02
end
basis "Co_WTBS" SPHERICAL
Co S
60672000.0000000 2.97902029D-07 -9.08149731D-08 -3.38309270D-08 -7.12087268D-09
12604766.0000000 1.62075529D-06 -4.93983412D-07 -1.84172833D-07 -3.87666898D-08
2989439.3000000 9.23298653D-06 -2.81486431D-06 -1.04842325D-06 -2.20674982D-07
801967.0000000 4.34700489D-05 -1.32500152D-05 -4.94051198D-06 -1.03993733D-06
240777.7700000 1.79127422D-04 -5.46293585D-05 -2.03452514D-05 -4.28232157D-06
79956.4820000 6.50833823D-04 -1.98550505D-04 -7.40545523D-05 -1.55881980D-05
29002.4180000 2.12456838D-03 -6.49567492D-04 -2.41926186D-04 -5.09226482D-05
11345.4050000 6.31423538D-03 -1.93791985D-03 -7.23535619D-04 -1.52317133D-04
4727.0836000 1.72725163D-02 -5.35712069D-03 -1.99786869D-03 -4.20612074D-04
2073.2941000 4.34771070D-02 -1.37686759D-02 -5.16197229D-03 -1.08721821D-03
947.1420300 9.92263107D-02 -3.28910997D-02 -1.23578266D-02 -2.60425930D-03
446.5159500 1.96315304D-01 -7.11166738D-02 -2.71157723D-02 -5.72305399D-03
215.5464200 3.07131651D-01 -1.32959319D-01 -5.15831931D-02 -1.09158828D-02
105.8685900 3.11884025D-01 -1.84249543D-01 -7.51183943D-02 -1.59866192D-02
52.6426200 1.46226674D-01 -1.06527698D-01 -4.53907759D-02 -9.73887977D-03
26.3988830 1.77166078D-02 2.20588056D-01 1.07614590D-01 2.34642913D-02
13.3130280 1.55147700D-03 5.60264958D-01 3.86625058D-01 8.83586700D-02
6.7379461 -4.92608902D-04 3.53097703D-01 3.50811474D-01 8.35746398D-02
3.4176523 3.77317108D-04 4.74751754D-02 -2.13492304D-01 -6.06659203D-02
1.7357011 -3.43110273D-04 6.63128832D-03 -6.10054051D-01 -1.83166417D-01
0.88209546 2.13433086D-04 -1.64276086D-03 -4.16438331D-01 -2.12855356D-01
0.44843609 -1.50287712D-04 1.80185026D-03 -6.79434529D-02 -9.67224501D-02
0.22800723 9.47521287D-05 -1.09688768D-03 -4.60938293D-03 1.41350810D-01
0.11593649 -5.31674842D-05 6.31757492D-04 1.60132966D-03 4.25394790D-01
0.58951991E-01 2.32485941D-05 -2.78864998D-04 -8.18944752D-04 4.46519428D-01
0.29976310E-01 -5.75187035D-06 6.94242031D-05 2.14907482D-04 1.77644733D-01
Co P
29002.4180000 1.56171931D-05 5.71120900D-06
11345.4050000 4.95604541D-05 1.80604403D-05
4727.0836000 2.41382567D-04 8.83986163D-05
2073.2941000 9.25564021D-04 3.38371452D-04
947.1420300 3.37716065D-03 1.24205697D-03
446.5159500 1.13059917D-02 4.17701287D-03
215.5464200 3.42398829D-02 1.28425915D-02
105.8685900 9.21362125D-02 3.54085481D-02
52.6426200 2.01710341D-01 8.05823857D-02
26.3988830 3.30889058D-01 1.38961410D-01
13.3130280 3.38472611D-01 1.45484372D-01
6.7379461 1.54179931D-01 -3.75328538D-02
3.4176523 2.19366570D-02 -3.22617762D-01
1.7357011 2.13029292D-03 -4.27043560D-01
0.88209546 1.28704246D-04 -2.80625903D-01
0.44843609 2.21940643D-04 -7.15255665D-02
0.22800723 -2.64971467D-05 -9.04621869D-03
Co D
446.5159500 1.90524206D-04
215.5464200 5.20558323D-04
105.8685900 2.63190186D-03
52.6426200 9.54659716D-03
26.3988830 2.99963627D-02
13.3130280 7.83519914D-02
6.7379461 1.66127680D-01
3.4176523 2.53051609D-01
1.7357011 2.87527572D-01
0.88209546 2.56189970D-01
0.44843609 1.75929236D-01
0.22800723 7.95998462D-02
0.11593649 2.24873972D-02
end
basis "Ni_WTBS" SPHERICAL
Ni S
67393769.0000000 2.86751356D-07 -8.78258555D-08 -3.28864815D-08 -6.81099201D-09
13930933.0000000 1.57253215D-06 -4.81522991D-07 -1.80456580D-07 -3.73746165D-08
3292307.1000000 8.98546984D-06 -2.75226959D-06 -1.03040514D-06 -2.13402109D-07
881220.2300000 4.24003922D-05 -1.29842454D-05 -4.86649040D-06 -1.00790984D-06
264240.9800000 1.74878764D-04 -5.35840826D-05 -2.00589894D-05 -4.15431958D-06
87702.1200000 6.35530191D-04 -1.94782055D-04 -7.30255835D-05 -1.51247842D-05
31809.6690000 2.07431567D-03 -6.37162066D-04 -2.38529333D-04 -4.94020753D-05
12445.1010000 6.16468900D-03 -1.90060706D-03 -7.13284242D-04 -1.47747529D-04
5185.8136000 1.68712380D-02 -5.25595021D-03 -1.97021749D-03 -4.08135914D-04
2274.3173000 4.25299452D-02 -1.35231233D-02 -5.09611872D-03 -1.05610377D-03
1038.5971000 9.73616440D-02 -3.23859735D-02 -1.22302664D-02 -2.53602307D-03
489.2860000 1.93668687D-01 -7.03158813D-02 -2.69474250D-02 -5.59606486D-03
235.9433900 3.05626483D-01 -1.32346622D-01 -5.16058048D-02 -1.07453763D-02
115.7262400 3.14597785D-01 -1.85448589D-01 -7.59898122D-02 -1.59115418D-02
57.4478970 1.50177383D-01 -1.10705473D-01 -4.74997193D-02 -1.00302751D-02
28.7534680 1.84948784D-02 2.19078406D-01 1.07889258D-01 2.31611689D-02
14.4699950 1.56033867D-03 5.63861714D-01 3.92523880D-01 8.82715597D-02
7.3071106 -5.17657113D-04 3.53227018D-01 3.50182591D-01 8.20482226D-02
3.6976900 3.96262640D-04 4.66537325D-02 -2.24291117D-01 -6.25057701D-02
1.8734163 -3.55399319D-04 6.63531676D-03 -6.12866249D-01 -1.81933309D-01
0.94976189 2.23425124D-04 -1.68310406D-03 -4.08735240D-01 -2.07448332D-01
0.48164829 -1.56582173D-04 1.81289347D-03 -6.48886227D-02 -9.10993877D-02
0.24428887 9.87776166D-05 -1.10354224D-03 -4.56250128D-03 1.38883756D-01
0.12390783 -5.54402507D-05 6.35639557D-04 1.61673419D-03 4.19216464D-01
0.62849239E-01 2.42698204D-05 -2.80852122D-04 -8.25818188D-04 4.42823798D-01
0.31878838E-01 -6.01639810D-06 7.00588070D-05 2.16772421D-04 1.86153424D-01
Ni P
31809.6690000 1.52359098D-05 5.61723122D-06
12445.1010000 4.83565931D-05 1.77700342D-05
5185.8136000 2.35432238D-04 8.69207239D-05
2274.3173000 9.03915041D-04 3.33220064D-04
1038.5971000 3.30378343D-03 1.22500437D-03
489.2860000 1.11030094D-02 4.13632433D-03
235.9433900 3.37891278D-02 1.27782459D-02
115.7262400 9.15086598D-02 3.54693070D-02
57.4478970 2.01783882D-01 8.13460120D-02
28.7534680 3.32807883D-01 1.41215210D-01
14.4699950 3.39477341D-01 1.46558702D-01
7.3071106 1.52584363D-01 -4.29851626D-02
3.6976900 2.12402479D-02 -3.30043604D-01
1.8734163 2.13726097D-03 -4.27062313D-01
0.94976189 1.46571637D-04 -2.73972876D-01
0.48164829 2.26397036D-04 -6.79585401D-02
0.24428887 -2.36322765D-05 -8.43660168D-03
Ni D
489.2860000 1.91883405D-04
235.9433900 5.29549541D-04
115.7262400 2.68299326D-03
57.4478970 9.81812052D-03
28.7534680 3.10930849D-02
14.4699950 8.16292892D-02
7.3071106 1.71614417D-01
3.6976900 2.57217135D-01
1.8734163 2.87117271D-01
0.94976189 2.51913794D-01
0.48164829 1.71643350D-01
0.24428887 7.76690701D-02
0.12390783 2.21980798D-02
end
basis "Cu_WTBS" SPHERICAL
Cu S
32285234.0000000 7.89339724D-07 -2.42783312D-07 9.08354157D-08 -1.57497747D-08
6610569.9000000 4.37572565D-06 -1.34583049D-06 5.03212796D-07 -8.72411388D-08
1564955.3000000 2.47405184D-05 -7.61014681D-06 2.84771939D-06 -4.93774123D-07
423553.2000000 1.14308393D-04 -3.51646041D-05 1.31473809D-05 -2.27930922D-06
129366.3600000 4.57362661D-04 -1.40779072D-04 5.26909501D-05 -9.13654361D-06
43958.9520000 1.60245142D-03 -4.93898193D-04 1.84667315D-04 -3.20148504D-05
16371.7030000 5.01700641D-03 -1.55203440D-03 5.81392113D-04 -1.00824449D-04
6583.7187000 1.42351361D-02 -4.44069115D-03 1.66226159D-03 -2.88212088D-04
2818.2848000 3.68357981D-02 -1.17111662D-02 4.40318708D-03 -7.63951258D-04
1267.5889000 8.61587347D-02 -2.84949523D-02 1.07374427D-02 -1.86315219D-03
592.2432600 1.75876053D-01 -6.30178162D-02 2.40575737D-02 -4.18177659D-03
284.6969400 2.89623318D-01 -1.21434861D-01 4.71010970D-02 -8.20097201D-03
139.7161600 3.24911386D-01 -1.81531822D-01 7.36431738D-02 -1.28963968D-02
69.5735620 1.82381097D-01 -1.38789510D-01 5.90805923D-02 -1.04001312D-02
34.9921060 3.06600788D-02 1.43535872D-01 -6.82334265D-02 1.21468093D-02
17.7155420 1.78877751D-03 5.30175815D-01 -3.43689175D-01 6.39352580D-02
9.0065037 -3.10408592D-04 4.24576289D-01 -4.03114100D-01 7.81936964D-02
4.5905463 3.34622394D-04 7.95999969D-02 1.01534477D-01 -2.48900308D-02
2.3432167 -3.27672107D-04 8.52752468D-03 5.62124739D-01 -1.33082357D-01
1.1970399 2.06776872D-04 -1.51674456D-03 4.81272473D-01 -1.57342029D-01
0.61175889 -1.54325811D-04 2.17926531D-03 1.29856397D-01 -1.09185164D-01
0.31270310 1.03462910D-04 -1.37647664D-03 8.23783180D-03 2.01240354D-03
0.15985137 -6.55799378D-05 9.14625566D-04 1.24885703D-04 2.04844531D-01
0.81716807E-01 3.67443872D-05 -5.19324106D-04 4.06573113D-04 4.48363676D-01
0.41774304E-01 -1.59719244D-05 2.26856179D-04 -6.17635376D-05 3.90620031D-01
0.21355392E-01 3.94238604D-06 -5.66049001D-05 5.94815776D-05 8.85684977D-02
Cu P
43958.9520000 9.96981905D-06 3.67782641D-06
16371.7030000 3.67150606D-05 1.34744569D-05
6583.7187000 1.82283690D-04 6.73267508D-05
2818.2848000 7.29384732D-04 2.68544201D-04
1267.5889000 2.72250622D-03 1.00920750D-03
592.2432600 9.27932730D-03 3.45016372D-03
284.6969400 2.86267102D-02 1.08017762D-02
139.7161600 7.87885237D-02 3.03803285D-02
69.5735620 1.79725666D-01 7.20490590D-02
34.9921060 3.11995711D-01 1.31101665D-01
17.7155420 3.52077963D-01 1.54602208D-01
9.0065037 1.88907271D-01 5.91124638D-03
4.5905463 3.38693557D-02 -2.79486721D-01
2.3432167 3.23904716D-03 -4.17344694D-01
1.1970399 2.78642133D-04 -3.17101150D-01
0.61175889 3.38007045D-04 -1.09282839D-01
0.31270310 1.46080162D-05 -1.85993584D-02
Cu D
592.2432600 1.47400259D-04
284.6969400 4.14463089D-04
139.7161600 2.10301515D-03
69.5735620 7.81434122D-03
34.9921060 2.53729960D-02
17.7155420 6.79294479D-02
9.0065037 1.47905604D-01
4.5905463 2.32766729D-01
2.3432167 2.69988021D-01
1.1970399 2.51786447D-01
0.61175889 1.96394960D-01
0.31270310 1.26607924D-01
0.15985137 5.68967346D-02
0.81716807E-01 1.56562081D-02
end
basis "Zn_WTBS" SPHERICAL
Zn S
68088788.0000000 3.38211660D-07 -1.04454381D-07 -3.94382252D-08 -7.89943965D-09
13880630.0000000 1.89779619D-06 -5.85867223D-07 -2.21275470D-07 -4.43189557D-08
3241320.5000000 1.09819101D-05 -3.39210992D-06 -1.28065280D-06 -2.56516565D-07
859030.6100000 5.24338084D-05 -1.61878164D-05 -6.11425514D-06 -1.22461081D-06
255624.8800000 2.18006702D-04 -6.73676613D-05 -2.54336249D-05 -5.09446384D-06
84392.1380000 7.95969133D-04 -2.45978236D-04 -9.29269682D-05 -1.86122218D-05
30517.3160000 2.60050792D-03 -8.06048042D-04 -3.04387750D-04 -6.09738655D-05
11930.1220000 7.70372384D-03 -2.39755893D-03 -9.06678989D-04 -1.81613917D-04
4977.4883000 2.09099926D-02 -6.59279878D-03 -2.49436828D-03 -4.99804656D-04
2189.6622000 5.18961541D-02 -1.67571070D-02 -6.36695615D-03 -1.27603259D-03
1004.5591000 1.15672705D-01 -3.94299238D-02 -1.50581820D-02 -3.02099756D-03
476.0398200 2.19927808D-01 -8.30195495D-02 -3.21751844D-02 -6.46391727D-03
231.1404400 3.21010214D-01 -1.48793587D-01 -5.90891990D-02 -1.19150238D-02
114.2406700 2.88251125D-01 -1.86050260D-01 -7.78029712D-02 -1.57749264D-02
57.1781220 1.10144784D-01 -6.31002808D-02 -2.80286857D-02 -5.76710810D-03
28.8661110 9.35875045D-03 3.14151147D-01 1.67648778D-01 3.51669425D-02
14.6564610 1.14322723D-03 5.66662261D-01 4.35201524D-01 9.56215040D-02
7.4687591 -4.32743336D-04 2.67768351D-01 2.55434394D-01 5.74820186D-02
3.8143902 2.65826169D-04 2.78227096D-02 -3.36265162D-01 -8.93219136D-02
1.9505199 -2.40875755D-04 3.95693106D-03 -6.06249834D-01 -1.82886888D-01
0.99808774 1.47011761D-04 -3.81595211D-04 -3.34464848D-01 -1.87219382D-01
0.51089338 -1.02181453D-04 6.86124192D-04 -4.22626545D-02 -6.01700638D-02
0.26154957 6.41914479D-05 -3.71704047D-04 -3.88985363D-03 1.51254694D-01
0.13390619 -3.58623893D-05 2.11370549D-04 1.55530904D-03 4.13341005D-01
0.68557335E-01 1.56003909D-05 -9.15832960D-05 -7.58397709D-04 4.19680427D-01
0.35100111E-01 -3.83365022D-06 2.25061590D-05 1.94301416D-04 1.92640246D-01
Zn P
30517.3160000 2.12495701D-05 7.91694820D-06
11930.1220000 6.72713110D-05 2.51741348D-05
4977.4883000 3.26637054D-04 1.21802493D-04
2189.6622000 1.23772821D-03 4.64090983D-04
1004.5591000 4.46054887D-03 1.67432271D-03
476.0398200 1.46376451D-02 5.55255903D-03
231.1404400 4.33069420D-02 1.66618995D-02
114.2406700 1.12217041D-01 4.45619402D-02
57.1781220 2.32283129D-01 9.59583543D-02
28.8661110 3.50305572D-01 1.53689723D-01
14.6564610 3.06238564D-01 1.23405985D-01
7.4687591 1.10443779D-01 -1.09194891D-01
3.8143902 1.28446305D-02 -3.68937673D-01
1.9505199 1.34032381D-03 -4.06394518D-01
0.99808774 3.71438801D-04 -2.27359584D-01
0.51089338 7.48861282D-05 -4.86016736D-02
0.26154957 1.73673937D-05 -6.05179097D-03
Zn D
1004.5591000 5.88227095D-05
476.0398200 1.79256314D-04
231.1404400 9.43519393D-04
114.2406700 3.76762591D-03
57.1781220 1.38090017D-02
28.8661110 4.10450700D-02
14.6564610 1.02717821D-01
7.4687591 1.96233195D-01
3.8143902 2.67706448D-01
1.9505199 2.78265146D-01
0.99808774 2.31018664D-01
0.51089338 1.50369830D-01
0.26154957 6.54579042D-02
0.13390619 1.79813615D-02
end
basis "Ga_WTBS" SPHERICAL
Ga S
73580197.0000000 3.36002775D-07 -1.04154558D-07 3.97222080D-08 -9.24067465D-09
14657018.0000000 1.95440944D-06 -6.05532002D-07 2.30958736D-07 -5.37334586D-08
3366679.4000000 1.14779151D-05 -3.55842521D-06 1.35708064D-06 -3.15694950D-07
882769.1200000 5.53890930D-05 -1.71621055D-05 6.54604303D-06 -1.52298181D-06
261136.4100000 2.31278813D-04 -7.17356242D-05 2.73587070D-05 -6.36433569D-06
86013.2530000 8.44646387D-04 -2.61974854D-04 9.99398357D-05 -2.32526427D-05
31108.4660000 2.75324791D-03 -8.56726800D-04 3.26852833D-04 -7.60357768D-05
12179.8660000 8.12758795D-03 -2.53952428D-03 9.69737337D-04 -2.25661721D-04
5091.6945000 2.19781221D-02 -6.96235410D-03 2.66187895D-03 -6.19381289D-04
2243.6525000 5.43339541D-02 -1.76419860D-02 6.76935473D-03 -1.57633031D-03
1030.2315000 1.20535422D-01 -4.14215328D-02 1.59957895D-02 -3.72670126D-03
488.1073400 2.27280676D-01 -8.68568318D-02 3.40233837D-02 -7.94494352D-03
236.6734800 3.25822425D-01 -1.54287041D-01 6.21187716D-02 -1.45507615D-02
116.6812100 2.80881998D-01 -1.86481530D-01 7.90388811D-02 -1.86562408D-02
58.1936730 9.86703773D-02 -4.39555043D-02 2.01016402D-02 -4.78717127D-03
29.2504670 7.03539281D-03 3.56036177D-01 -1.98272640D-01 4.85186365D-02
14.7769390 9.99782224D-04 5.64366967D-01 -4.55949320D-01 1.17727491D-01
7.4886157 -3.94297376D-04 2.29251847D-01 -2.02060441D-01 5.18950373D-02
3.8021330 2.13864321D-04 2.05534032D-02 4.08015407D-01 -1.25717900D-01
1.9324333 -1.95522208D-04 2.66275297D-03 6.13894525D-01 -2.36779935D-01
0.98268876 1.17530382D-04 1.49758685D-04 2.72585580D-01 -2.21787124D-01
0.49984826 -8.05042506D-05 1.48673896D-04 1.95662320D-02 6.12613216D-03
0.25427675 5.05653346D-05 -4.94261039D-05 3.54312320D-03 3.35190666D-01
0.12935744 -2.81617616D-05 2.01114213D-05 -1.68971799D-03 5.00378279D-01
0.65808289E-01 1.23134316D-05 -8.95034938D-06 8.23451059D-04 2.97510811D-01
0.33478856E-01 -3.03476560D-06 1.72479233D-06 -1.94908427D-04 4.45760604D-02
Ga P
31108.4660000 2.32319216D-05 -8.77468606D-06 1.43104391D-06
12179.8660000 7.30284131D-05 -2.77788519D-05 4.56210184D-06
5091.6945000 3.54121012D-04 -1.33840990D-04 2.18147244D-05
2243.6525000 1.33601956D-03 -5.08984900D-04 8.34873586D-05
1030.2315000 4.81056946D-03 -1.83157686D-03 2.99040328D-04
488.1073400 1.57660509D-02 -6.07862014D-03 9.97394080D-04
236.6734800 4.66414882D-02 -1.82338469D-02 2.98685313D-03
116.6812100 1.20235535D-01 -4.86419274D-02 8.01724752D-03
58.1936730 2.45732851D-01 -1.03496898D-01 1.70843137D-02
29.2504670 3.59183512D-01 -1.61193932D-01 2.69064649D-02
14.7769390 2.91799081D-01 -1.10793672D-01 1.77892216D-02
7.4886157 9.26796034D-02 1.48215729D-01 -2.96766064D-02
3.8021330 9.61488794D-03 3.98472036D-01 -7.86412137D-02
1.9324333 9.08433049D-04 4.00456651D-01 -8.44387041D-02
0.98268876 4.47175265D-04 1.87128592D-01 -4.80008706D-02
0.49984826 -8.81193310D-05 2.91247947D-02 6.38388956D-02
0.25427675 9.61846922D-05 2.78558439D-03 2.02101575D-01
0.12935744 -5.70769438D-05 5.31767361D-06 3.67522110D-01
0.65808289E-01 2.59549134D-05 2.81314324D-04 3.26100309D-01
0.33478856E-01 -7.54807254D-06 -3.52399001D-05 2.03676261D-01
Ga D
1030.2315000 6.92911374D-05
488.1073400 2.11435722D-04
236.6734800 1.11540181D-03
116.6812100 4.46890083D-03
58.1936730 1.63290046D-02
29.2504670 4.83621690D-02
14.7769390 1.19513063D-01
7.4886157 2.19773272D-01
3.8021330 2.87036792D-01
1.9324333 2.84417435D-01
0.98268876 2.14872958D-01
0.49984826 1.11880147D-01
0.25427675 3.27704000D-02
0.12935744 4.56892322D-03
end
basis "Ge_WTBS" SPHERICAL
Ge S
83575245.0000000 3.08972407D-07 -9.60989070D-08 -3.70305086D-08 -9.49356355D-09
16849738.0000000 1.76573391D-06 -5.48978939D-07 -2.11612157D-07 -5.42582222D-08
3896374.3000000 1.03260688D-05 -3.21204823D-06 -1.23764057D-06 -3.17287266D-07
1024074.1000000 4.98070991D-05 -1.54863610D-05 -5.96973877D-06 -1.53068902D-06
302677.2600000 2.08668532D-04 -6.49359312D-05 -2.50203049D-05 -6.41422335D-06
99408.0280000 7.66144363D-04 -2.38442739D-04 -9.19347413D-05 -2.35739216D-05
35817.1780000 2.51163968D-03 -7.83919464D-04 -3.02125092D-04 -7.74536418D-05
13972.2610000 7.45288605D-03 -2.33563115D-03 -9.01445328D-04 -2.31188500D-04
5825.1379000 2.02344078D-02 -6.42179602D-03 -2.47965416D-03 -6.35829607D-04
2563.7409000 5.02142248D-02 -1.63140105D-02 -6.32618602D-03 -1.62356683D-03
1177.9335000 1.12021054D-01 -3.83678744D-02 -1.49531840D-02 -3.83893878D-03
559.5032500 2.13965820D-01 -8.09517045D-02 -3.20153798D-02 -8.23935873D-03
272.4820000 3.16443717D-01 -1.46100618D-01 -5.91818348D-02 -1.52729031D-02
135.1465000 2.93434710D-01 -1.87400476D-01 -7.99081269D-02 -2.07857957D-02
67.9043540 1.19561765D-01 -7.65013206D-02 -3.47264057D-02 -9.09811990D-03
34.4234300 1.14020590D-02 2.91830488D-01 1.58368918D-01 4.25375122D-02
17.5538050 1.20583994D-03 5.67086286D-01 4.37733153D-01 1.24175209D-01
8.9849994 -4.70975261D-04 2.89234511D-01 2.84328385D-01 8.24742086D-02
4.6095032 3.06459702D-04 3.35395809D-02 -3.13368406D-01 -1.06433187D-01
2.3678688 -2.75672592D-04 4.34999043D-03 -6.31522956D-01 -2.57662289D-01
1.2172076 1.72091732D-04 -5.66797450D-04 -3.44947266D-01 -2.76489664D-01
0.62592189 -1.19130800D-04 7.89965898D-04 -3.47906901D-02 -1.56811542D-02
0.32191423 7.53943872D-05 -4.76726101D-04 -4.61772412D-03 3.56153809D-01
0.16557091 -4.18789504D-05 2.58797154D-04 2.01686064D-03 5.11860151D-01
0.85159833E-01 1.82555283D-05 -1.16666506D-04 -1.08739160D-03 2.95308247D-01
0.43801291E-01 -4.45172923D-06 2.78960977D-05 2.47396075D-04 4.50969489D-02
Ge P
35817.1780000 2.04413487D-05 7.84827641D-06 1.54594808D-06
13972.2610000 6.50919432D-05 2.50773841D-05 4.95890666D-06
5825.1379000 3.15737027D-04 1.21344234D-04 2.38960970D-05
2563.7409000 1.19477709D-03 4.61320566D-04 9.11757624D-05
1177.9335000 4.29703670D-03 1.66213070D-03 3.27720698D-04
559.5032500 1.40782812D-02 5.50021825D-03 1.08793817D-03
272.4820000 4.16482767D-02 1.65096742D-02 3.26496243D-03
135.1465000 1.08273139D-01 4.42807302D-02 8.80058063D-03
67.9043540 2.26281493D-01 9.63778236D-02 1.92117599D-02
34.4234300 3.46647134D-01 1.56772002D-01 3.15519511D-02
17.5538050 3.11454840D-01 1.31026295D-01 2.59075946D-02
8.9849994 1.18207746D-01 -1.00917618D-01 -2.56816154D-02
4.6095032 1.46529766D-02 -3.71280422D-01 -8.91178436D-02
2.3678688 1.45744498D-03 -4.21135609D-01 -1.08007085D-01
1.2172076 3.15199895D-04 -2.22266922D-01 -6.92874037D-02
0.62592189 5.38462442D-05 -3.96314022D-02 6.81011802D-02
0.32191423 3.35115935D-06 -3.61278041D-03 2.44839223D-01
0.16557091 -4.10188268D-06 1.78351354D-05 3.91311163D-01
0.85159833E-01 2.13533834D-07 -3.60034987D-04 3.10967874D-01
0.43801291E-01 -6.95700375D-07 5.03974573D-05 1.47756045D-01
Ge D
1177.9335000 6.34472541D-05
559.5032500 1.91567352D-04
272.4820000 1.00888309D-03
135.1465000 4.01203810D-03
67.9043540 1.47509951D-02
34.4234300 4.41315091D-02
17.5538050 1.10789454D-01
8.9849994 2.10972626D-01
4.6095032 2.86306644D-01
2.3678688 2.91976736D-01
1.2172076 2.20890696D-01
0.62592189 1.09503422D-01
0.32191423 2.93241782D-02
0.16557091 4.11969096D-03
end
basis "As_WTBS" SPHERICAL
As S
92628131.0000000 2.92236336D-07 -9.11813235D-08 -3.55036350D-08 -9.77745818D-09
18914773.0000000 1.63775855D-06 -5.10854598D-07 -1.99005190D-07 -5.48130542D-08
4410892.9000000 9.51220659D-06 -2.96818652D-06 -1.15562616D-06 -3.18241408D-07
1164823.3000000 4.56964303D-05 -1.42547648D-05 -5.55331844D-06 -1.52960605D-06
344914.0100000 1.91383479D-04 -5.97416378D-05 -2.32589204D-05 -6.40502620D-06
113254.3800000 7.04027744D-04 -2.19819094D-04 -8.56554893D-05 -2.35941532D-05
40746.3740000 2.31501141D-03 -7.24635076D-04 -2.82173557D-04 -7.77048721D-05
15864.4390000 6.89329407D-03 -2.16642393D-03 -8.45031836D-04 -2.32808897D-04
6602.4447000 1.87780188D-02 -5.97073420D-03 -2.32902313D-03 -6.41495726D-04
2902.7472000 4.67846632D-02 -1.52127832D-02 -5.96103643D-03 -1.64343385D-03
1333.6138000 1.04993523D-01 -3.58728876D-02 -1.41157503D-02 -3.89256934D-03
634.1542800 2.02967967D-01 -7.62002950D-02 -3.04269045D-02 -8.41179433D-03
309.5521800 3.08045368D-01 -1.39418880D-01 -5.68896837D-02 -1.57674412D-02
154.0612100 3.02339882D-01 -1.87033889D-01 -8.02694453D-02 -2.24282727D-02
77.7512420 1.37645139D-01 -9.93304040D-02 -4.51705299D-02 -1.27055849D-02
39.6223440 1.63193601D-02 2.41865191D-01 1.29289080D-01 3.71908631D-02
20.3241480 1.32849641D-03 5.59684679D-01 4.18819160D-01 1.27355024D-01
10.4693990 -4.64437095D-04 3.36167537D-01 3.38975698D-01 1.06564415D-01
5.4071293 3.38705857D-04 4.83613276D-02 -2.37123448D-01 -8.69654367D-02
2.7968947 -3.11458711D-04 5.54685658D-03 -6.35635020D-01 -2.72868614D-01
1.4479339 1.96486457D-04 -8.63204311D-04 -3.99119337D-01 -3.22812580D-01
0.74990037 -1.37318448D-04 1.12361347D-03 -4.91888611D-02 -2.99676701D-02
0.38845433 8.74539474D-05 -7.14717129D-04 -5.57162089D-03 3.74804948D-01
0.20123686 -4.84057426D-05 3.87729756D-04 2.09711566D-03 5.21525771D-01
0.10425203 2.10865591D-05 -1.76559584D-04 -1.25458291D-03 2.91276526D-01
0.54008662E-01 -5.10359410D-06 4.20485490D-05 2.74742142D-04 4.31880934D-02
As P
40746.3740000 1.82960071D-05 7.13692392D-06 1.58785002D-06
15864.4390000 5.86594317D-05 2.29015821D-05 5.10554745D-06
6602.4447000 2.84967179D-04 1.11293102D-04 2.47594303D-05
2902.7472000 1.08109691D-03 4.23194337D-04 9.43339187D-05
1333.6138000 3.89266547D-03 1.52912301D-03 3.40507907D-04
634.1542800 1.27728904D-02 5.05813180D-03 1.12871683D-03
309.5521800 3.78887764D-02 1.52309789D-02 3.40130690D-03
154.0612100 9.93160829D-02 4.10935135D-02 9.21569032D-03
77.7512420 2.11568546D-01 9.11991933D-02 2.05342857D-02
39.6223440 3.35720029D-01 1.53244625D-01 3.48061796D-02
20.3241480 3.24130838D-01 1.44145517D-01 3.24909123D-02
10.4693990 1.39285791D-01 -6.66528942D-02 -2.06781989D-02
5.4071293 2.00717706D-02 -3.48937182D-01 -9.54751856D-02
2.7968947 1.92219124D-03 -4.34428625D-01 -1.26891575D-01
1.4479339 2.45373931D-04 -2.47517813D-01 -8.76056124D-02
0.74990037 1.42583087D-04 -4.75911674D-02 7.35407068D-02
0.38845433 -5.75549094D-05 -4.27423443D-03 2.77386805D-01
0.20123686 3.14282441D-05 1.84321526D-04 4.04246386D-01
0.10425203 -1.62580625D-05 -3.26570272D-04 2.93744202D-01
0.54008662E-01 4.01715691D-06 1.02515449D-04 1.15821275D-01
As D
1333.6138000 5.86197608D-05
634.1542800 1.76538257D-04
309.5521800 9.29163808D-04
154.0612100 3.68727516D-03
77.7512420 1.36468574D-02
39.6223440 4.12868159D-02
20.3241480 1.05026265D-01
10.4693990 2.05254413D-01
5.4071293 2.86578676D-01
2.7968947 2.98271194D-01
1.4479339 2.24286727D-01
0.74990037 1.05697412D-01
0.38845433 2.62092168D-02
0.20123686 3.66589773D-03
end
basis "Se_WTBS" SPHERICAL
Se S
97160301.0000000 2.95488321D-07 -9.24751260D-08 -3.63800308D-08 -1.06343936D-08
20098751.0000000 1.62187893D-06 -5.07429381D-07 -1.99716332D-07 -5.83954555D-08
4734337.5000000 9.32944924D-06 -2.91997910D-06 -1.14862082D-06 -3.35739030D-07
1259495.3000000 4.44548144D-05 -1.39093122D-05 -5.47480176D-06 -1.60083258D-06
374814.4100000 1.85312673D-04 -5.80214391D-05 -2.28229791D-05 -6.67086627D-06
123437.1000000 6.80165637D-04 -2.13004727D-04 -8.38584670D-05 -2.45220509D-05
44468.1390000 2.23610079D-03 -7.02002323D-04 -2.76189223D-04 -8.07242398D-05
17314.5230000 6.66727118D-03 -2.10131938D-03 -8.28095426D-04 -2.42206559D-04
7200.0900000 1.82082386D-02 -5.80450592D-03 -2.28756723D-03 -6.68713033D-04
3161.2408000 4.55298426D-02 -1.48356002D-02 -5.87281679D-03 -1.71904424D-03
1450.0447000 1.02680145D-01 -3.51235689D-02 -1.39624458D-02 -4.08621599D-03
688.3779700 1.99855752D-01 -7.50002584D-02 -3.02487820D-02 -8.88010418D-03
335.4941400 3.06379232D-01 -1.38216925D-01 -5.69618137D-02 -1.67545293D-02
166.7387600 3.05515056D-01 -1.87868136D-01 -8.14021587D-02 -2.41681683D-02
84.0485760 1.42450640D-01 -1.04713319D-01 -4.81557704D-02 -1.43558025D-02
42.7888230 1.74757481D-02 2.34941829D-01 1.26945104D-01 3.87352668D-02
21.9304610 1.35242568D-03 5.60407760D-01 4.22769433D-01 1.37053073D-01
11.2892880 -4.79236109D-04 3.42022947D-01 3.48142125D-01 1.16368403D-01
5.8273326 3.52194121D-04 4.99905329D-02 -2.37706838D-01 -9.16332444D-02
3.0128121 -3.24148156D-04 5.57784973D-03 -6.52663718D-01 -3.08241335D-01
1.5590505 2.06287030D-04 -9.33498703D-04 -3.92106010D-01 -3.53447306D-01
0.80713105 -1.43461280D-04 1.11632109D-03 -4.15288139D-02 2.07027343D-02
0.41794260 9.18418333D-05 -7.37909776D-04 -6.28383333D-03 4.42175833D-01
0.21643308 -5.07004288D-05 3.92738581D-04 2.35385187D-03 5.17693312D-01
0.11208338 2.21336725D-05 -1.80913808D-04 -1.42152385D-03 2.34161458D-01
0.58044499E-01 -5.35535222D-06 4.29236833D-05 3.07894524D-04 2.58198781D-02
Se P
44468.1390000 1.75358721D-05 6.93666732D-06 1.67635753D-06
17314.5230000 5.62860443D-05 2.22973068D-05 5.38643238D-06
7200.0900000 2.73960414D-04 1.08492232D-04 2.62239211D-05
3161.2408000 1.04333846D-03 4.14339356D-04 1.00135831D-04
1450.0447000 3.77130863D-03 1.50226104D-03 3.63342448D-04
688.3779700 1.24359205D-02 4.99544355D-03 1.20905078D-03
335.4941400 3.70826313D-02 1.51157072D-02 3.66600356D-03
166.7387600 9.78032212D-02 4.10454673D-02 9.98818752D-03
84.0485760 2.09883397D-01 9.17794227D-02 2.24536052D-02
42.7888230 3.35562714D-01 1.55524975D-01 3.83567766D-02
21.9304610 3.26167396D-01 1.47266627D-01 3.61199128D-02
11.2892880 1.41104083D-01 -6.66883729D-02 -2.30698019D-02
5.8273326 2.03843176D-02 -3.55843496D-01 -1.06537703D-01
3.0128121 1.89491218D-03 -4.41568271D-01 -1.44920883D-01
1.5590505 2.07422174D-04 -2.38475820D-01 -8.83731918D-02
0.80713105 1.29790541D-04 -4.05368511D-02 1.15504835D-01
0.41794260 -6.45485261D-05 -4.02827240D-03 3.16883197D-01
0.21643308 3.01519994D-05 1.49052326D-04 3.91661185D-01
0.11208338 -1.85892756D-05 -5.35377841D-04 2.61475577D-01
0.58044499E-01 3.59111446D-06 5.79129882D-05 9.41916138D-02
Se D
1450.0447000 5.86232650D-05
688.3779700 1.78095021D-04
335.4941400 9.40681126D-04
166.7387600 3.75318326D-03
84.0485760 1.39804165D-02
42.7888230 4.25845547D-02
21.9304610 1.08811678D-01
11.2892880 2.12366988D-01
5.8273326 2.95130600D-01
3.0128121 3.02568943D-01
1.5590505 2.14125543D-01
0.80713105 8.87387976D-02
0.41794260 1.83796011D-02
0.21643308 2.35224030D-03
end
basis "Br_WTBS" SPHERICAL
Br S
0.10420402E+09 2.90433571D-07 -9.11516021D-08 -3.62181241D-08 -1.10979987D-08
21720406.0000000 1.57535050D-06 -4.94288223D-07 -1.96490765D-07 -6.02299871D-08
5142183.4000000 9.02562893D-06 -2.83289873D-06 -1.12551526D-06 -3.44856044D-07
1371890.8000000 4.29033943D-05 -1.34624800D-05 -5.35193543D-06 -1.64057641D-06
408698.6800000 1.78829333D-04 -5.61494749D-05 -2.23076385D-05 -6.83470956D-06
134563.0400000 6.57252839D-04 -2.06417522D-04 -8.20776690D-05 -2.51622605D-05
48423.2680000 2.16544049D-03 -6.81686638D-04 -2.70879673D-04 -8.29891648D-05
18826.2680000 6.47268011D-03 -2.04555007D-03 -8.14164587D-04 -2.49657881D-04
7816.8253000 1.77192721D-02 -5.66226287D-03 -2.25378951D-03 -6.90579777D-04
3427.7662000 4.44127018D-02 -1.45019077D-02 -5.79773495D-03 -1.77930548D-03
1571.1261000 1.00427948D-01 -3.43910625D-02 -1.38065122D-02 -4.23512280D-03
745.7631500 1.96293377D-01 -7.36317003D-02 -2.99861556D-02 -9.23075848D-03
363.6556600 3.03353517D-01 -1.36292621D-01 -5.67005698D-02 -1.74803980D-02
180.9474300 3.07864051D-01 -1.87735959D-01 -8.20738786D-02 -2.55633381D-02
91.3710870 1.48642278D-01 -1.11563882D-01 -5.17877313D-02 -1.61698807D-02
46.6214640 1.95428554D-02 2.19450859D-01 1.19260535D-01 3.80939406D-02
23.9581560 1.37923098D-03 5.55929377D-01 4.19256550D-01 1.42829162D-01
12.3695640 -4.59885356D-04 3.56587961D-01 3.66147551D-01 1.28620902D-01
6.4052411 3.48700144D-04 5.61235485D-02 -2.15412149D-01 -8.63105681D-02
3.3226205 -3.27190294D-04 5.85409661D-03 -6.62052083D-01 -3.33401335D-01
1.7252551 2.08726440D-04 -9.44224741D-04 -4.03422727D-01 -3.82457224D-01
0.89628435 -1.45200511D-04 1.12203813D-03 -4.23716227D-02 4.63399326D-02
0.46573585 9.35220566D-05 -7.69668680D-04 -7.01985368D-03 4.74593795D-01
0.24203248 -5.14001979D-05 4.02095754D-04 2.43763101D-03 5.12358420D-01
0.12578252 2.24528861D-05 -1.87548283D-04 -1.53855660D-03 2.10244541D-01
0.65368677E-01 -5.40821502D-06 4.41466177D-05 3.26177725D-04 2.08940051D-02
Br P
48423.2680000 1.68232996D-05 6.74544930D-06 1.74663186D-06
18826.2680000 5.42802865D-05 2.17947475D-05 5.63152277D-06
7816.8253000 2.64634107D-04 1.06225944D-04 2.75156229D-05
3427.7662000 1.01029829D-03 4.06661810D-04 1.05162722D-04
1571.1261000 3.65770064D-03 1.47678269D-03 3.82682122D-04
745.7631500 1.20751655D-02 4.91600781D-03 1.27351132D-03
363.6556600 3.60539804D-02 1.48931656D-02 3.86971234D-03
180.9474300 9.53068354D-02 4.05249154D-02 1.05585624D-02
91.3710870 2.05664382D-01 9.11293704D-02 2.38938448D-02
46.6214640 3.32049473D-01 1.55946417D-01 4.12008930D-02
23.9581560 3.29031207D-01 1.51741453D-01 3.99871555D-02
12.3695640 1.47411804D-01 -5.78731864D-02 -2.25577287D-02
6.4052411 2.23431768D-02 -3.52931836D-01 -1.14046255D-01
3.3226205 1.99680079D-03 -4.48589425D-01 -1.61222535D-01
1.7252551 1.85293941D-04 -2.39939289D-01 -9.19330796D-02
0.89628435 1.33282476D-04 -3.94084156D-02 1.41015312D-01
0.46573585 -7.82416925D-05 -4.28328852D-03 3.37640909D-01
0.24203248 3.22355458D-05 -1.98832073D-05 3.84235884D-01
0.12578252 -2.32432630D-05 -7.13650712D-04 2.42161999D-01
0.65368677E-01 3.65459652D-06 1.65634501D-05 8.20229314D-02
Br D
1571.1261000 5.85687907D-05
745.7631500 1.78094127D-04
363.6556600 9.41041237D-04
180.9474300 3.75063480D-03
91.3710870 1.39922953D-02
46.6214640 4.27562640D-02
23.9581560 1.09597314D-01
12.3695640 2.14631332D-01
6.4052411 2.99451131D-01
3.3226205 3.05608003D-01
1.7252551 2.07957795D-01
0.89628435 7.93856019D-02
0.46573585 1.48946909D-02
0.24203248 1.91084728D-03
end
basis "Kr_WTBS" SPHERICAL
Kr S
0.11119931E+09 2.86460425D-07 -9.01461450D-08 -3.61618844D-08 -1.15164508D-08
23409280.0000000 1.52969270D-06 -4.81269023D-07 -1.93150128D-07 -6.15383895D-08
5579605.1000000 8.71585740D-06 -2.74299591D-06 -1.10023892D-06 -3.50360801D-07
1494615.6000000 4.12785334D-05 -1.29879061D-05 -5.21277941D-06 -1.66087718D-06
446067.6000000 1.71933858D-04 -5.41281184D-05 -2.17106480D-05 -6.91317806D-06
146885.5800000 6.32631061D-04 -1.99222559D-04 -7.99759057D-05 -2.54842202D-05
52804.7050000 2.08906991D-03 -6.59341495D-04 -2.64510323D-04 -8.42207976D-05
20496.8450000 6.26193914D-03 -1.98401650D-03 -7.97226822D-04 -2.54104402D-04
8495.7195000 1.71904792D-02 -5.50542071D-03 -2.21229340D-03 -7.04472895D-04
3719.9372000 4.32077729D-02 -1.41347829D-02 -5.70467570D-03 -1.81986504D-03
1703.4031000 9.80011486D-02 -3.35856867D-02 -1.36104240D-02 -4.33873407D-03
808.3324600 1.92427835D-01 -7.21170661D-02 -2.96418480D-02 -9.48596869D-03
394.3617300 2.99944070D-01 -1.34103065D-01 -5.62872275D-02 -1.80331312D-02
196.4729600 3.10146559D-01 -1.87317405D-01 -8.25747935D-02 -2.67467476D-02
99.4053030 1.55464275D-01 -1.18703902D-01 -5.55628847D-02 -1.80212746D-02
50.8511110 2.20456439D-02 2.01901776D-01 1.10165316D-01 3.65037614D-02
26.2118220 1.41653068D-03 5.49471040D-01 4.13364620D-01 1.46613505D-01
13.5798420 -4.27674076D-04 3.72969890D-01 3.85360149D-01 1.41027536D-01
7.0582189 3.38021996D-04 6.38678497D-02 -1.87115303D-01 -7.70948473D-02
3.6757392 -3.25974310D-04 6.22312316D-03 -6.68235850D-01 -3.53396159D-01
1.9163573 2.08076016D-04 -9.18076343D-04 -4.19505917D-01 -4.09666961D-01
0.99967963 -1.45014515D-04 1.11382491D-03 -4.55549709D-02 6.13542498D-02
0.52163173 9.40977555D-05 -7.94359846D-04 -7.80014193D-03 4.93750419D-01
0.27221705 -5.14616587D-05 4.06529678D-04 2.47741502D-03 5.09620096D-01
0.14206344 2.25021162D-05 -1.92305435D-04 -1.64600008D-03 1.98264319D-01
0.74140048E-01 -5.39284903D-06 4.48680337D-05 3.41870447D-04 1.87894814D-02
Kr P
52804.7050000 1.60486761D-05 6.52133237D-06 1.77462100D-06
20496.8450000 5.20719453D-05 2.11850137D-05 5.74473091D-06
8495.7195000 2.54396538D-04 1.03489343D-04 2.81761185D-05
3719.9372000 9.74049248D-04 3.97269323D-04 1.07850005D-04
1703.4031000 3.53347123D-03 1.44568913D-03 3.93691745D-04
808.3324600 1.16803975D-02 4.81796378D-03 1.31058391D-03
394.3617300 3.49237408D-02 1.46153616D-02 3.99073340D-03
196.4729600 9.25272357D-02 3.98448253D-02 1.09042999D-02
99.4053030 2.00829707D-01 9.01285601D-02 2.48432827D-02
50.8511110 3.27729359D-01 1.55865946D-01 4.32776903D-02
26.2118220 3.32000738D-01 1.56482332D-01 4.34665270D-02
13.5798420 1.54877086D-01 -4.69525430D-02 -2.07245012D-02
7.0582189 2.48606469D-02 -3.47458105D-01 -1.18996006D-01
3.6757392 2.13444962D-03 -4.55604555D-01 -1.75203619D-01
1.9163573 1.70004107D-04 -2.44511973D-01 -9.61094494D-02
0.99967963 1.41979483D-04 -3.96243648D-02 1.58992614D-01
0.52163173 -8.19589381D-05 -4.02780325D-03 3.52162884D-01
0.27221705 4.42291066D-05 4.70891526D-04 3.79694816D-01
0.14206344 -2.15199712D-05 -4.56367351D-04 2.28186191D-01
0.74140048E-01 5.76556199D-06 1.15942205D-04 7.27195457D-02
Kr D
1703.4031000 5.79742857D-05
808.3324600 1.76542320D-04
394.3617300 9.33081362D-04
196.4729600 3.71400566D-03
99.4053030 1.38733470D-02
50.8511110 4.25201731D-02
26.2118220 1.09375805D-01
13.5798420 2.15300119D-01
7.0582189 3.02334530D-01
3.6757392 3.08181192D-01
1.9163573 2.03509747D-01
0.99967963 7.31191103D-02
0.52163173 1.28916215D-02
0.27221705 1.68568403D-03
end
basis "Rb_WTBS" SPHERICAL
Rb S
29578241.0000000 1.65883125D-06 5.23273493D-07 2.11861082D-07 7.15688676D-08 1.50674292D-08
5724040.9000000 9.98832843D-06 3.15153880D-06 1.27664322D-06 4.31290045D-07 9.07992467D-08
1313587.3000000 5.75539499D-05 1.81563188D-05 7.35023843D-06 2.48295470D-06 5.22738483D-07
352085.7600000 2.65684849D-04 8.38678463D-05 3.39788726D-05 1.14793628D-05 2.41674360D-06
108312.6300000 1.03865557D-03 3.28072938D-04 1.32816386D-04 4.48665792D-05 9.44584063D-06
37523.3530000 3.50404351D-03 1.11032682D-03 4.50160875D-04 1.52097266D-04 3.20211524D-05
14356.7360000 1.04493197D-02 3.33134057D-03 1.34989170D-03 4.56078358D-04 9.60213436D-05
5953.0845000 2.79778834D-02 9.06333191D-03 3.68644141D-03 1.24617610D-03 2.62370629D-04
2629.2669000 6.73860449D-02 2.25293738D-02 9.18154167D-03 3.10501402D-03 6.53795114D-04
1218.3397000 1.43153506D-01 5.11842136D-02 2.11020959D-02 7.14877519D-03 1.50544438D-03
584.8944200 2.53016464D-01 1.02784449D-01 4.29575704D-02 1.45868534D-02 3.07286406D-03
288.0049000 3.27998911D-01 1.69863366D-01 7.38551425D-02 2.52350015D-02 5.31902762D-03
144.3394600 2.42502145D-01 1.77145191D-01 8.08690349D-02 2.78615435D-02 5.87923140D-03
73.2062350 6.74460388D-02 -2.17977981D-02 -1.00988780D-02 -3.42638696D-03 -7.23539186D-04
37.4201460 3.59136317D-03 -4.38772077D-01 -2.86938892D-01 -1.05055327D-01 -2.23123800D-02
19.2228450 4.25894333D-04 -5.21866517D-01 -4.85554418D-01 -1.88257921D-01 -4.02394850D-02
9.9049069 -1.15247905D-04 -1.64767945D-01 -9.61937830D-02 -3.56933220D-02 -7.62564259D-03
5.1128283 -2.22102240D-05 -1.41880117D-02 5.64674007D-01 2.75970363D-01 6.05560246D-02
2.6418628 -1.69681974D-05 -2.05064314D-04 6.04328417D-01 5.02132364D-01 1.18550232D-01
1.3658201 2.76046379D-07 -1.04236734D-03 1.28164682D-01 1.33709713D-01 2.91155258D-02
0.70630824 3.32345273D-06 8.62718212D-04 1.05569690D-02 -4.64848676D-01 -1.29036480D-01
0.36530005 -1.04319837D-06 -5.67423690D-04 -2.73560834D-03 -6.03237678D-01 -1.90575590D-01
0.18894191 1.57304338D-06 4.36291048D-04 3.26618537D-03 -2.40645059D-01 -2.00362771D-01
0.97727226E-01 -9.92827049D-07 -2.92164313D-04 -2.14656737D-03 -1.13962597D-02 -9.06696773D-02
0.50548189E-01 6.54253093D-07 1.86086480D-04 1.41573319D-03 -3.80046328D-03 2.94374940D-01
0.26145463E-01 -3.71746028D-07 -1.04128356D-04 -8.08639433D-04 1.63573503D-03 6.33552451D-01
0.13523441E-01 1.58094742D-07 4.50069073D-05 3.50548892D-04 -1.03360456D-03 2.76889384D-01
0.69948449E-02 -3.85036580D-08 -1.09746626D-05 -8.62668009D-05 2.07522150D-04 1.01089715D-02
Rb P
108312.6300000 5.20780609D-06 2.15363134D-06 6.43839449D-07
37523.3530000 2.32301846D-05 9.49767318D-06 2.83112770D-06
14356.7360000 1.20186715D-04 4.97475429D-05 1.48744119D-05
5953.0845000 5.05145514D-04 2.07341752D-04 6.18545369D-05
2629.2669000 1.93653644D-03 8.03578806D-04 2.40312383D-04
1218.3397000 6.71789090D-03 2.78405918D-03 8.31789530D-04
584.8944200 2.12009073D-02 8.93504034D-03 2.67756254D-03
288.0049000 6.00652866D-02 2.57366329D-02 7.72620569D-03
144.3394600 1.45491355D-01 6.49482039D-02 1.96217329D-02
73.2062350 2.76369717D-01 1.29109153D-01 3.92537989D-02
37.4201460 3.60275188D-01 1.79067205D-01 5.50874916D-02
19.2228450 2.44738680D-01 6.83354356D-02 1.73126900D-02
9.9049069 6.24988920D-02 -2.35738229D-01 -9.08132960D-02
5.1128283 5.67684512D-03 -4.66532994D-01 -1.87251583D-01
2.6418628 2.80753886D-04 -3.52378978D-01 -1.68731396D-01
1.3658201 3.29244924D-04 -8.51533719D-02 8.92625142D-02
0.70630824 -1.91367432D-04 -7.67228110D-03 3.60768139D-01
0.36530005 1.10643746D-04 3.61902292D-04 4.34123815D-01
0.18894191 -5.38851123D-05 -5.27905774D-04 2.36510871D-01
0.97727226E-01 1.49970091D-05 1.62960879D-04 5.73442555D-02
Rb D
2629.2669000 2.58879298D-05
1218.3397000 8.97540003D-05
584.8944200 4.75302358D-04
288.0049000 2.01406359D-03
144.3394600 8.01827895D-03
73.2062350 2.71877005D-02
37.4201460 7.67935345D-02
19.2228450 1.74258462D-01
9.9049069 2.82779567D-01
5.1128283 3.27742093D-01
2.6418628 2.52263301D-01
1.3658201 1.05679991D-01
0.70630824 2.09296985D-02
0.36530005 2.19805632D-03
end
basis "Sr_WTBS" SPHERICAL
Sr S
29642329.0000000 1.88427397D-06 -5.97303208D-07 2.46032149D-07 9.05071024D-08 2.40233884D-08
5766661.3000000 1.12632804D-05 -3.57060610D-06 1.47151366D-06 5.41626066D-07 1.43782247D-07
1326534.1000000 6.48386764D-05 -2.05558552D-05 8.46612604D-06 3.11398667D-06 8.26523554D-07
355629.4300000 2.99588641D-04 -9.50177772D-05 3.91647676D-05 1.44172087D-05 3.82734555D-06
109262.6400000 1.17415374D-03 -3.72783614D-04 1.53540976D-04 5.64676204D-05 1.49873277D-05
37772.1400000 3.97185789D-03 -1.26493313D-03 5.21778050D-04 1.92137612D-04 5.10101683D-05
14416.8630000 1.18656783D-02 -3.80678019D-03 1.56961907D-03 5.77206784D-04 1.53193125D-04
5964.0349000 3.17384220D-02 -1.03579712D-02 4.28800577D-03 1.58052041D-03 4.19679055D-04
2628.7927000 7.59818409D-02 -2.57090267D-02 1.06700644D-02 3.92640730D-03 1.04213615D-03
1216.1770000 1.58885861D-01 -5.78732172D-02 2.43269646D-02 8.99507423D-03 2.38965689D-03
583.1687100 2.71666815D-01 -1.14261253D-01 4.88047421D-02 1.80330479D-02 4.78861190D-03
286.9184000 3.29125378D-01 -1.80230334D-01 8.04514686D-02 3.01007507D-02 8.01087847D-03
143.7141000 2.14369502D-01 -1.64692914D-01 7.75534026D-02 2.89914036D-02 7.70680166D-03
72.8605470 4.72405774D-02 8.63584802D-02 -4.54168932D-02 -1.68442682D-02 -4.46271381D-03
37.2323520 2.13596614D-03 5.01939560D-01 -3.57125003D-01 -1.46015089D-01 -3.93602005D-02
19.1213680 -1.74175880D-05 4.71243084D-01 -4.75766374D-01 -2.01983685D-01 -5.46002783D-02
9.8500317 1.32526105D-04 1.12829877D-01 3.88053016D-02 1.59737844D-02 3.90509737D-03
5.0830613 -2.06350790D-04 9.30018309D-03 6.79048058D-01 4.18321521D-01 1.20604739D-01
2.6256642 1.26231856D-04 -1.04316286D-03 5.02448079D-01 5.45791284D-01 1.69178456D-01
1.3569865 -9.65349451D-05 1.41867959D-03 5.68157319D-02 -1.00756968D-01 -4.28493664D-02
0.70148755 7.27789769D-05 -1.20239808D-03 1.18811889D-02 -6.84347645D-01 -2.60064298D-01
0.36267068 -4.92715979D-05 7.96101881D-04 -5.79163199D-03 -4.89560099D-01 -3.30410908D-01
0.18750979 3.35692734D-05 -5.63193526D-04 4.66397905D-03 -6.26193726D-02 -1.07722602D-01
0.96948686E-01 -2.11389261D-05 3.57343053D-04 -2.96703154D-03 -7.61111417D-03 2.83702402D-01
0.50125844E-01 1.17697439D-05 -2.00250984D-04 1.68633515D-03 3.50438202D-03 5.70474996D-01
0.25916827E-01 -5.08584215D-06 8.68246560D-05 -7.37171520D-04 -1.65650682D-03 3.57671929D-01
0.13399914E-01 1.23780366D-06 -2.11710430D-05 1.80698514D-04 4.19356648D-04 3.87588408D-02
Sr P
109262.6400000 6.21940701D-06 2.62201276D-06 8.85180282D-07
37772.1400000 2.80195295D-05 1.17648190D-05 3.92882837D-06
14416.8630000 1.44884078D-04 6.11377431D-05 2.06443477D-05
5964.0349000 6.12839875D-04 2.58057262D-04 8.63744369D-05
2628.7927000 2.34482833D-03 9.93428032D-04 3.35211519D-04
1216.1770000 8.13067169D-03 3.45789191D-03 1.16046567D-03
583.1687100 2.54275204D-02 1.09741026D-02 3.71007036D-03
286.9184000 7.10980028D-02 3.13866320D-02 1.06006008D-02
143.7141000 1.66817238D-01 7.67476220D-02 2.61947837D-02
72.8605470 3.01722517D-01 1.46413960D-01 5.01994010D-02
37.2323520 3.57104110D-01 1.80643291D-01 6.28623192D-02
19.1213680 2.06335452D-01 1.91808546D-02 -1.15760271D-03
9.8500317 4.17949886D-02 -3.10442862D-01 -1.34913813D-01
5.0830613 3.35529255D-03 -4.88811684D-01 -2.40682121D-01
2.6256642 2.22577676D-05 -2.79100309D-01 -1.32611455D-01
1.3569865 2.66503175D-04 -4.31051682D-02 2.36831366D-01
0.70148755 -1.86749298D-04 -4.38133194D-03 4.79123286D-01
0.36267068 1.04453741D-04 1.02470970D-03 3.66882330D-01
0.18750979 -5.04124122D-05 -6.01228747D-04 9.57047917D-02
0.96948686E-01 1.39710938D-05 2.02570876D-04 1.47508617D-02
Sr D
2628.7927000 3.54934921D-05
1216.1770000 1.20983825D-04
583.1687100 6.50634149D-04
286.9184000 2.71376859D-03
143.7141000 1.07223551D-02
72.8605470 3.52387549D-02
37.2323520 9.70174961D-02
19.1213680 2.06915000D-01
9.8500317 3.11644661D-01
5.0830613 3.27585650D-01
2.6256642 2.05834270D-01
1.3569865 6.17112321D-02
0.70148755 7.96761025D-03
0.36267068 2.33131979D-04
0.18750979 2.19672635D-04
0.96948686E-01 -6.59451986D-05
0.50125844E-01 3.44925173D-05
end
basis "Y_WTBS" SPHERICAL
Y S
29642329.0000000 1.88427397D-06 -5.97303208D-07 2.46032149D-07 9.05071024D-08 2.40233884D-08
5766661.3000000 1.12632804D-05 -3.57060610D-06 1.47151366D-06 5.41626066D-07 1.43782247D-07
1326534.1000000 6.48386764D-05 -2.05558552D-05 8.46612604D-06 3.11398667D-06 8.26523554D-07
355629.4300000 2.99588641D-04 -9.50177772D-05 3.91647676D-05 1.44172087D-05 3.82734555D-06
109262.6400000 1.17415374D-03 -3.72783614D-04 1.53540976D-04 5.64676204D-05 1.49873277D-05
37772.1400000 3.97185789D-03 -1.26493313D-03 5.21778050D-04 1.92137612D-04 5.10101683D-05
14416.8630000 1.18656783D-02 -3.80678019D-03 1.56961907D-03 5.77206784D-04 1.53193125D-04
5964.0349000 3.17384220D-02 -1.03579712D-02 4.28800577D-03 1.58052041D-03 4.19679055D-04
2628.7927000 7.59818409D-02 -2.57090267D-02 1.06700644D-02 3.92640730D-03 1.04213615D-03
1216.1770000 1.58885861D-01 -5.78732172D-02 2.43269646D-02 8.99507423D-03 2.38965689D-03
583.1687100 2.71666815D-01 -1.14261253D-01 4.88047421D-02 1.80330479D-02 4.78861190D-03
286.9184000 3.29125378D-01 -1.80230334D-01 8.04514686D-02 3.01007507D-02 8.01087847D-03
143.7141000 2.14369502D-01 -1.64692914D-01 7.75534026D-02 2.89914036D-02 7.70680166D-03
72.8605470 4.72405774D-02 8.63584802D-02 -4.54168932D-02 -1.68442682D-02 -4.46271381D-03
37.2323520 2.13596614D-03 5.01939560D-01 -3.57125003D-01 -1.46015089D-01 -3.93602005D-02
19.1213680 -1.74175880D-05 4.71243084D-01 -4.75766374D-01 -2.01983685D-01 -5.46002783D-02
9.8500317 1.32526105D-04 1.12829877D-01 3.88053016D-02 1.59737844D-02 3.90509737D-03
5.0830613 -2.06350790D-04 9.30018309D-03 6.79048058D-01 4.18321521D-01 1.20604739D-01
2.6256642 1.26231856D-04 -1.04316286D-03 5.02448079D-01 5.45791284D-01 1.69178456D-01
1.3569865 -9.65349451D-05 1.41867959D-03 5.68157319D-02 -1.00756968D-01 -4.28493664D-02
0.70148755 7.27789769D-05 -1.20239808D-03 1.18811889D-02 -6.84347645D-01 -2.60064298D-01
0.36267068 -4.92715979D-05 7.96101881D-04 -5.79163199D-03 -4.89560099D-01 -3.30410908D-01
0.18750979 3.35692734D-05 -5.63193526D-04 4.66397905D-03 -6.26193726D-02 -1.07722602D-01
0.96948686E-01 -2.11389261D-05 3.57343053D-04 -2.96703154D-03 -7.61111417D-03 2.83702402D-01
0.50125844E-01 1.17697439D-05 -2.00250984D-04 1.68633515D-03 3.50438202D-03 5.70474996D-01
0.25916827E-01 -5.08584215D-06 8.68246560D-05 -7.37171520D-04 -1.65650682D-03 3.57671929D-01
0.13399914E-01 1.23780366D-06 -2.11710430D-05 1.80698514D-04 4.19356648D-04 3.87588408D-02
Y P
109262.6400000 6.21940701D-06 2.62201276D-06 8.85180282D-07
37772.1400000 2.80195295D-05 1.17648190D-05 3.92882837D-06
14416.8630000 1.44884078D-04 6.11377431D-05 2.06443477D-05
5964.0349000 6.12839875D-04 2.58057262D-04 8.63744369D-05
2628.7927000 2.34482833D-03 9.93428032D-04 3.35211519D-04
1216.1770000 8.13067169D-03 3.45789191D-03 1.16046567D-03
583.1687100 2.54275204D-02 1.09741026D-02 3.71007036D-03
286.9184000 7.10980028D-02 3.13866320D-02 1.06006008D-02
143.7141000 1.66817238D-01 7.67476220D-02 2.61947837D-02
72.8605470 3.01722517D-01 1.46413960D-01 5.01994010D-02
37.2323520 3.57104110D-01 1.80643291D-01 6.28623192D-02
19.1213680 2.06335452D-01 1.91808546D-02 -1.15760271D-03
9.8500317 4.17949886D-02 -3.10442862D-01 -1.34913813D-01
5.0830613 3.35529255D-03 -4.88811684D-01 -2.40682121D-01
2.6256642 2.22577676D-05 -2.79100309D-01 -1.32611455D-01
1.3569865 2.66503175D-04 -4.31051682D-02 2.36831366D-01
0.70148755 -1.86749298D-04 -4.38133194D-03 4.79123286D-01
0.36267068 1.04453741D-04 1.02470970D-03 3.66882330D-01
0.18750979 -5.04124122D-05 -6.01228747D-04 9.57047917D-02
0.96948686E-01 1.39710938D-05 2.02570876D-04 1.47508617D-02
Y D
2628.7927000 3.54934921D-05 7.58167913D-06
1216.1770000 1.20983825D-04 2.65700569D-05
583.1687100 6.50634149D-04 1.39444975D-04
286.9184000 2.71376859D-03 5.91777766D-04
143.7141000 1.07223551D-02 2.32127602D-03
72.8605470 3.52387549D-02 7.71262435D-03
37.2323520 9.70174961D-02 2.13212404D-02
19.1213680 2.06915000D-01 4.59112018D-02
9.8500317 3.11644661D-01 6.67659405D-02
5.0830613 3.27585650D-01 6.60846098D-02
2.6256642 2.05834270D-01 8.74968724D-03
1.3569865 6.17112321D-02 -1.14759130D-01
0.70148755 7.96761025D-03 -2.41322901D-01
0.36267068 2.33131979D-04 -3.08209136D-01
0.18750979 2.19672635D-04 -3.03968816D-01
0.96948686E-01 -6.59451986D-05 -1.87208064D-01
0.50125844E-01 3.44925173D-05 -9.64297263D-02
end
basis "Zr_WTBS" SPHERICAL
Zr S
29410970.0000000 2.02860338D-06 6.44523092D-07 2.67535820D-07 1.00474153D-07 2.58410377D-08
5715492.9000000 1.21439731D-05 3.85811023D-06 1.60205320D-06 6.02072346D-07 1.54876219D-07
1314110.7000000 6.99244886D-05 2.22196954D-05 9.22253975D-06 3.46298594D-06 8.90608271D-07
352263.0500000 3.23042210D-04 1.02678161D-04 4.26420643D-05 1.60277070D-05 4.12309505D-06
108238.8000000 1.26564274D-03 4.02816073D-04 1.67210163D-04 6.27756426D-05 1.61438047D-05
37422.1340000 4.27915174D-03 1.36603602D-03 5.67726408D-04 2.13471550D-04 5.49201214D-05
14282.5900000 1.27748961D-02 4.11156146D-03 1.70888282D-03 6.41477383D-04 1.64955180D-04
5906.6028000 3.41139223D-02 1.11760337D-02 4.66205035D-03 1.75492662D-03 4.51592538D-04
2601.7622000 8.13561264D-02 2.77130290D-02 1.16016001D-02 4.35790836D-03 1.12064669D-03
1202.4429000 1.68577190D-01 6.20685294D-02 2.63133458D-02 9.94036774D-03 2.55949580D-03
575.7945700 2.82594681D-01 1.21394768D-01 5.24332397D-02 1.97817932D-02 5.08932195D-03
282.8158800 3.28070861D-01 1.85842952D-01 8.39819319D-02 3.21509591D-02 8.29642219D-03
141.3857100 1.96635293D-01 1.54022410D-01 7.39318565D-02 2.81932637D-02 7.25587837D-03
71.5272410 3.68415386D-02 -1.31432017D-01 -7.24200184D-02 -2.77922296D-02 -7.14434527D-03
36.4675340 1.70471011D-03 -5.35016931D-01 -3.99619646D-01 -1.68775656D-01 -4.41946637D-02
18.6837640 -2.67230713D-04 -4.31952503D-01 -4.55498577D-01 -1.98251166D-01 -5.19483751D-02
9.6008578 2.69263155D-04 -8.50153052D-02 1.39823711D-01 6.27942051D-02 1.60710534D-02
4.9420097 -2.98762737D-04 -7.25997971D-03 7.29642813D-01 5.05186096D-01 1.43734438D-01
2.5463037 1.97827359D-04 1.49724802D-03 4.18690033D-01 5.04263426D-01 1.52142871D-01
1.3125979 -1.44428076D-04 -1.47707408D-03 2.97286464D-02 -2.78434780D-01 -1.00877104D-01
0.67679511 1.06227299D-04 1.23902950D-03 1.06894691D-02 -7.05399363D-01 -2.81881986D-01
0.34900265 -7.25657462D-05 -8.26187739D-04 -5.31140084D-03 -3.82902128D-01 -2.83319894D-01
0.17997757 4.90071650D-05 5.75544074D-04 4.08046301D-03 -3.63928905D-02 -5.49002313D-02
0.92814145E-01 -3.08574864D-05 -3.63917514D-04 -2.56784072D-03 -6.31772920D-03 3.29827846D-01
0.47864292E-01 1.71730594D-05 2.05763578D-04 1.43137715D-03 5.55311238D-03 5.83736481D-01
0.24683654E-01 -7.43522195D-06 -8.78633477D-05 -6.37461914D-04 -4.63365704D-04 2.90309944D-01
0.12729382E-01 1.81285664D-06 2.17065560D-05 1.54006311D-04 4.74253971D-04 2.07950553D-02
Zr P
108238.8000000 6.93469424D-06 2.94550717D-06 1.01894113D-06
37422.1340000 3.12822040D-05 1.33123984D-05 4.56160691D-06
14282.5900000 1.61508947D-04 6.86658964D-05 2.37588453D-05
5906.6028000 6.84223514D-04 2.91747786D-04 1.00176793D-04
2601.7622000 2.61538844D-03 1.11762857D-03 3.86520799D-04
1202.4429000 9.06934231D-03 3.90595557D-03 1.34474655D-03
575.7945700 2.82643341D-02 1.23281051D-02 4.27354950D-03
282.8158800 7.85072894D-02 3.51814091D-02 1.21959885D-02
141.3857100 1.80936863D-01 8.44580939D-02 2.95864446D-02
71.5272410 3.17235439D-01 1.57091929D-01 5.53676518D-02
36.4675340 3.51611334D-01 1.77223616D-01 6.31027518D-02
18.6837640 1.81791688D-01 -1.76088558D-02 -1.67693329D-02
9.6008578 3.12616334D-02 -3.58504721D-01 -1.61500464D-01
4.9420097 2.39120857D-03 -4.88413071D-01 -2.58211867D-01
2.5463037 -6.05091413D-05 -2.28026024D-01 -7.81546574D-02
1.3125979 2.10290782D-04 -2.61586723D-02 3.23039791D-01
0.67679511 -1.62137109D-04 -3.07221609D-03 4.83073533D-01
0.34900265 8.53060818D-05 7.53578186D-04 3.01879239D-01
0.17997757 -4.30365361D-05 -4.71927467D-04 6.79371771D-02
0.92814145E-01 1.11081408D-05 1.27613521D-04 9.49383876D-03
Zr D
2601.7622000 4.21375334D-05 9.28974889D-06
1202.4429000 1.42801183D-04 3.20850844D-05
575.7945700 7.73982305D-04 1.71126598D-04
282.8158800 3.21359314D-03 7.19401862D-04
141.3857100 1.26522663D-02 2.82215247D-03
71.5272410 4.09654527D-02 9.22441349D-03
36.4675340 1.11033196D-01 2.51772723D-02
18.6837640 2.27560339D-01 5.18873592D-02
9.6008578 3.27380769D-01 7.17092426D-02
4.9420097 3.20009289D-01 6.36148371D-02
2.5463037 1.73729180D-01 -1.53215468D-02
1.3125979 4.16537932D-02 -1.53369741D-01
0.67679511 4.26067278D-03 -2.64934789D-01
0.34900265 1.27971466D-04 -3.01162934D-01
0.17997757 1.74497585D-04 -2.78939564D-01
0.92814145E-01 -3.86878686D-05 -1.73063181D-01
0.47864292E-01 2.91370053D-05 -8.21049357D-02
end
basis "Nb_WTBS" SPHERICAL
Nb S
31685643.0000000 1.96006738D-06 -6.24065783D-07 2.60948514D-07 1.00188125D-07 2.58129883D-08
6210014.0000000 1.15924966D-05 -3.69088623D-06 1.54391845D-06 5.93179558D-07 1.52857401D-07
1434125.3000000 6.65808578D-05 -2.12016003D-05 8.86460992D-06 3.40289980D-06 8.76702615D-07
384892.2000000 3.07713254D-04 -9.80169801D-05 4.10064957D-05 1.57570065D-05 4.06058768D-06
118137.7100000 1.20927086D-03 -3.85654998D-04 1.61261100D-04 6.18942570D-05 1.59453411D-05
40748.2570000 4.10571657D-03 -1.31333813D-03 5.49844475D-04 2.11360757D-04 5.44724857D-05
15509.3610000 1.23089802D-02 -3.96820374D-03 1.66133109D-03 6.37560991D-04 1.64239743D-04
6398.5333000 3.29919356D-02 -1.08232450D-02 4.54786412D-03 1.75012677D-03 4.51146250D-04
2814.0926000 7.89365860D-02 -2.68936454D-02 1.13388627D-02 4.35440292D-03 1.12175285D-03
1300.0520000 1.64232821D-01 -6.03802761D-02 2.57778406D-02 9.95538904D-03 2.56788201D-03
623.0551800 2.77456096D-01 -1.18486389D-01 5.15057454D-02 1.98660045D-02 5.12035193D-03
306.6475700 3.28130884D-01 -1.83646045D-01 8.34685641D-02 3.26668494D-02 8.44471600D-03
153.7694600 2.04907944D-01 -1.59742127D-01 7.70017523D-02 3.00361270D-02 7.74689791D-03
78.0974540 4.19159673D-02 1.08603953D-01 -5.96565394D-02 -2.32439938D-02 -5.97787488D-03
40.0001720 1.88989107D-03 5.17657281D-01 -3.83034143D-01 -1.65287685D-01 -4.33782651D-02
20.5979250 -1.48206006D-04 4.52502420D-01 -4.73718807D-01 -2.11179059D-01 -5.55221520D-02
10.6419870 2.01735481D-04 1.00334757D-01 8.70951467D-02 3.72838384D-02 9.30513464D-03
5.5089630 -2.55186055D-04 8.01117759D-03 7.21662796D-01 5.04039450D-01 1.43644575D-01
2.8549143 1.65529533D-04 -1.20766920D-03 4.55915945D-01 5.45609060D-01 1.65742885D-01
1.4803640 -1.22618042D-04 1.33343422D-03 3.82473176D-02 -2.54856444D-01 -9.40224658D-02
0.76783605 9.15244689D-05 -1.15987781D-03 1.17643319D-02 -7.08127035D-01 -2.86550868D-01
0.39831330 -6.24678683D-05 7.71135261D-04 -5.81516534D-03 -4.01703171D-01 -2.81609723D-01
0.20663501 4.23538032D-05 -5.42074630D-04 4.54405295D-03 -4.51659008D-02 -5.90110749D-02
0.10719905 -2.66704780D-05 3.42716146D-04 -2.86356556D-03 -6.20522140D-03 2.92940463D-01
0.55613501E-01 1.48180743D-05 -1.95011637D-04 1.60234597D-03 5.65014422D-03 5.59706780D-01
0.28851607E-01 -6.39173491D-06 8.18051905D-05 -7.10833871D-04 5.61852117D-05 3.34026536D-01
0.14967864E-01 1.54909049D-06 -2.04025703D-05 1.70607510D-04 5.38859249D-04 3.65994872D-02
Nb P
118137.7100000 6.52147611D-06 2.79786013D-06 9.95695249D-07
40748.2570000 2.96026364D-05 1.27091566D-05 4.47645738D-06
15509.3610000 1.53624042D-04 6.59700588D-05 2.34816298D-05
6398.5333000 6.53206442D-04 2.81035871D-04 9.92077689D-05
2814.0926000 2.50422289D-03 1.08062520D-03 3.84426562D-04
1300.0520000 8.68793995D-03 3.77533555D-03 1.33637526D-03
623.0551800 2.70894701D-02 1.19260914D-02 4.25254999D-03
306.6475700 7.52776622D-02 3.40138299D-02 1.21242395D-02
153.7694600 1.74404614D-01 8.20900600D-02 2.95841829D-02
78.0974540 3.09477595D-01 1.54341251D-01 5.59436365D-02
40.0001720 3.53278505D-01 1.81082889D-01 6.64866583D-02
20.5979250 1.93355448D-01 4.27865799D-04 -9.91912102D-03
10.6419870 3.64445794D-02 -3.40597843D-01 -1.58808993D-01
5.5089630 2.72236482D-03 -4.94687172D-01 -2.69230724D-01
2.8549143 -2.74098216D-05 -2.44988092D-01 -9.50557094D-02
1.4803640 1.99216796D-04 -3.03490511D-02 3.19831299D-01
0.76783605 -1.65238608D-04 -3.53131210D-03 4.84444442D-01
0.39831330 8.32575483D-05 8.12496026D-04 3.06789287D-01
0.20663501 -4.35714925D-05 -5.45736572D-04 7.25524057D-02
0.10719905 1.09155063D-05 1.40921923D-04 1.03196170D-02
Nb D
2814.0926000 4.07045836D-05 9.89172748D-06
1300.0520000 1.38363626D-04 3.42574710D-05
623.0551800 7.47877395D-04 1.82269211D-04
306.6475700 3.09709799D-03 7.64237803D-04
153.7694600 1.21716443D-02 2.99328822D-03
78.0974540 3.94925560D-02 9.80611873D-03
40.0001720 1.07453672D-01 2.68802407D-02
20.5979250 2.22704949D-01 5.60984670D-02
10.6419870 3.25412868D-01 7.88275672D-02
5.5089630 3.23238474D-01 7.08991919D-02
2.8549143 1.77557926D-01 -1.64758134D-02
1.4803640 4.26572140D-02 -1.68945762D-01
0.76783605 4.41401384D-03 -2.83934659D-01
0.39831330 1.09079125D-04 -3.08478250D-01
0.20663501 1.97929456D-04 -2.63636073D-01
0.10719905 -5.02414249D-05 -1.51771720D-01
0.55613501E-01 3.04351815D-05 -6.43725216D-02
end
basis "Mo_WTBS" SPHERICAL
Mo S
34840341.0000000 1.84903188D-06 -5.89898707D-07 2.48365552D-07 9.71192168D-08 2.48433536D-08
6830969.4000000 1.09310806D-05 -3.48753924D-06 1.46900265D-06 5.74835675D-07 1.47070077D-07
1577505.4000000 6.27992754D-05 -2.00372442D-05 8.43554736D-06 3.29802244D-06 8.43607545D-07
423261.1800000 2.90389201D-04 -9.26902747D-05 3.90479093D-05 1.52819597D-05 3.90997510D-06
129869.0300000 1.14184004D-03 -3.64844772D-04 1.53608151D-04 6.00459633D-05 1.53586069D-05
44781.9240000 3.87906088D-03 -1.24321055D-03 5.24106123D-04 2.05194510D-04 5.25045922D-05
17043.1310000 1.16365563D-02 -3.75668802D-03 1.58346423D-03 6.18894317D-04 1.58292077D-04
7032.7149000 3.12280526D-02 -1.02534974D-02 4.33804573D-03 1.70027462D-03 4.35155277D-04
3094.6786000 7.49275077D-02 -2.55008421D-02 1.08211927D-02 4.23212772D-03 1.08247185D-03
1430.9523000 1.56954470D-01 -5.74730253D-02 2.46920320D-02 9.71216012D-03 2.48718635D-03
686.6298100 2.69088928D-01 -1.13636087D-01 4.96508176D-02 1.95006470D-02 4.99041739D-03
338.4502200 3.28473152D-01 -1.80036719D-01 8.21586048D-02 3.27390006D-02 8.40243175D-03
170.0163100 2.18156503D-01 -1.67885342D-01 8.10489969D-02 3.22058496D-02 8.25025541D-03
86.5180040 5.01655792D-02 7.74292187D-02 -4.20223429D-02 -1.64002758D-02 -4.17325804D-03
44.4062410 2.27273105D-03 4.94263891D-01 -3.59876563D-01 -1.57838219D-01 -4.11279969D-02
22.9173270 3.44792531D-05 4.78732393D-01 -4.93750658D-01 -2.24286509D-01 -5.86221392D-02
11.8673350 9.20537972D-05 1.20816520D-01 2.46926277D-02 5.95711631D-03 9.61881839D-04
6.1575957 -1.79592695D-04 9.26991555D-03 7.08856981D-01 4.95206670D-01 1.39822623D-01
3.1985876 1.08734404D-04 -8.66875792D-04 4.98132967D-01 5.89097288D-01 1.78206975D-01
1.6625137 -8.30099256D-05 1.16187421D-03 4.83454433D-02 -2.26004670D-01 -8.43100827D-02
0.86437253 6.39551475D-05 -1.05818684D-03 1.30537826D-02 -7.10612315D-01 -2.87091453D-01
0.44946422 -4.33138819D-05 6.98989585D-04 -6.41765652D-03 -4.20864004D-01 -2.78120471D-01
0.23372924 2.95790532D-05 -4.96575163D-04 5.08446378D-03 -5.37846966D-02 -6.45689239D-02
0.12154561 -1.86355807D-05 3.13984397D-04 -3.21014152D-03 -6.19557114D-03 2.58716979D-01
0.63207392E-01 1.03527756D-05 -1.80260391D-04 1.80721481D-03 5.53161192D-03 5.34108751D-01
0.32869794E-01 -4.46144156D-06 7.40272035D-05 -7.96940966D-04 4.69139015D-04 3.71314086D-01
0.17093309E-01 1.07860924D-06 -1.89014420D-05 1.91511365D-04 6.30965233D-04 5.62579378D-02
Mo P
129869.0300000 6.04089868D-06 2.61699554D-06 9.53852054D-07
44781.9240000 2.74141534D-05 1.18619279D-05 4.27142703D-06
17043.1310000 1.42413512D-04 6.17517227D-05 2.25118499D-05
7032.7149000 6.04963409D-04 2.62390585D-04 9.47260843D-05
3094.6786000 2.32060348D-03 1.01072968D-03 3.68177176D-04
1430.9523000 8.05220551D-03 3.52690972D-03 1.27696831D-03
686.6298100 2.51779546D-02 1.11778645D-02 4.08046180D-03
338.4502200 7.03322981D-02 3.19894128D-02 1.16636679D-02
170.0163100 1.65096641D-01 7.82223910D-02 2.88572047D-02
86.5180040 2.99459086D-01 1.50045286D-01 5.56296745D-02
44.4062410 3.56472752D-01 1.85721173D-01 6.99815733D-02
22.9173270 2.09145126D-01 2.28145071D-02 -7.43778660D-04
11.8673350 4.35378083D-02 -3.18859898D-01 -1.53047542D-01
6.1575957 3.24460326D-03 -5.01888392D-01 -2.79084433D-01
3.1985876 2.01041051D-06 -2.65188083D-01 -1.14968624D-01
1.6625137 1.94766198D-04 -3.51898745D-02 3.14362431D-01
0.86437253 -1.73993365D-04 -4.13929664D-03 4.86830670D-01
0.44946422 8.40557011D-05 9.25370134D-04 3.13177933D-01
0.23372924 -4.56587619D-05 -6.50524331D-04 7.70908547D-02
0.12154561 1.12047521D-05 1.63392261D-04 1.08960300D-02
Mo D
3094.6786000 3.77044907D-05 9.84515207D-06
1430.9523000 1.28071444D-04 3.41334301D-05
686.6298100 6.91785776D-04 1.81182929D-04
338.4502200 2.86738239D-03 7.61201046D-04
170.0163100 1.13187538D-02 2.99295954D-03
86.5180040 3.71179186D-02 9.91476707D-03
44.4062410 1.02237154D-01 2.75112563D-02
22.9173270 2.16341130D-01 5.87446631D-02
11.8673350 3.23497776D-01 8.46229350D-02
6.1575957 3.28563994D-01 7.79488275D-02
3.1985876 1.83658201D-01 -1.56385310D-02
1.6625137 4.42388206D-02 -1.80938251D-01
0.86437253 4.59559239D-03 -2.98916007D-01
0.44946422 1.24033219D-05 -3.13913063D-01
0.23372924 1.88551521D-04 -2.51343948D-01
0.12154561 -9.31604187D-05 -1.35437512D-01
0.63207392E-01 2.48731878D-05 -5.06688844D-02
end
basis "Tc_WTBS" SPHERICAL
Tc S
44249855.0000000 1.45040940D-06 -4.63592213D-07 1.96483270D-07 7.84688810D-08 -2.00133673D-08
8746310.3000000 8.47513095D-06 -2.70960051D-06 1.14897214D-06 4.58952846D-07 -1.17053437D-07
2028606.5000000 4.85621482D-05 -1.55224992D-05 6.57817365D-06 2.62698381D-06 -6.70010913D-07
545088.3300000 2.24532517D-04 -7.18150669D-05 3.04563850D-05 1.21662263D-05 -3.10292628D-06
167170.1900000 8.84915530D-04 -2.83168784D-04 1.20005119D-04 4.79226776D-05 -1.22227609D-05
57561.8530000 3.01711221D-03 -9.68291658D-04 4.10909036D-04 1.64169523D-04 -4.18707841D-05
21873.9860000 9.09309290D-03 -2.93406897D-03 1.24452643D-03 4.97038355D-04 -1.26775672D-04
9018.3439000 2.45754341D-02 -8.04645151D-03 3.42500264D-03 1.36925592D-03 -3.49246348D-04
3969.5313000 5.97394244D-02 -2.01263872D-02 8.58332325D-03 3.43109569D-03 -8.75302034D-04
1838.5726000 1.28565284D-01 -4.60545950D-02 1.98561104D-02 7.95796048D-03 -2.03046064D-03
885.0201900 2.33082348D-01 -9.37072389D-02 4.09242856D-02 1.64282435D-02 -4.19403181D-03
438.2372700 3.19751547D-01 -1.60273613D-01 7.26260657D-02 2.93868162D-02 -7.50827973D-03
221.4235500 2.67111399D-01 -1.86724155D-01 8.87384030D-02 3.61604126D-02 -9.25576263D-03
113.4488100 9.43712761D-02 -3.68149183D-02 2.02833810D-02 8.69828599D-03 -2.23356208D-03
58.6736700 7.25607833D-03 3.60214432D-01 -2.38393178D-01 -1.03940311D-01 2.68570363D-02
30.5299730 7.92874311D-04 5.52377563D-01 -5.07111088D-01 -2.34128645D-01 6.10950517D-02
15.9463640 -3.58145115D-04 2.36640146D-01 -2.38424331D-01 -1.18744763D-01 3.14368307D-02
8.3481278 1.71844807D-04 2.43890859D-02 5.14734883D-01 3.11250691D-01 -8.48271483D-02
4.3760740 -1.71653755D-04 1.63460488D-03 6.87482505D-01 6.93938890D-01 -2.07416377D-01
2.2955552 1.13141441D-04 -3.64544337D-05 1.58711746D-01 1.19635400D-01 -2.61002654D-02
1.2046095 -7.56739022D-05 -1.48022564D-04 1.49665286D-02 -6.45589217D-01 2.35150706D-01
0.63223283 5.49314545D-05 1.04855445D-05 -3.60404953D-03 -5.92150061D-01 3.08675818D-01
0.33184700 -3.61612990D-05 -4.59697205D-05 3.98275132D-03 -1.41395862D-01 1.61445958D-01
0.17418454 2.28000738D-05 2.76174556D-05 -2.51349067D-03 -6.33644346D-03 -1.19027294D-01
0.91429124E-01 -1.26037900D-05 -1.64113271D-05 1.45996924D-03 -2.56501036D-04 -4.44108254D-01
0.47991045E-01 5.38711002D-06 7.20024567D-06 -6.38582592D-04 -5.14630226D-05 -4.65953325D-01
0.25190452E-01 -1.29126865D-06 -1.74997206D-06 1.55220522D-04 2.21612382D-05 -2.00690691D-01
Tc P
167170.1900000 4.24696265D-06 1.86399786D-06 6.98864042D-07
57561.8530000 1.92458933D-05 8.34778391D-06 3.09653092D-06
21873.9860000 1.00844725D-04 4.42951076D-05 1.66098777D-05
9018.3439000 4.27498717D-04 1.86154159D-04 6.92073741D-05
3969.5313000 1.65074155D-03 7.26778995D-04 2.72344724D-04
1838.5726000 5.73593599D-03 2.52095483D-03 9.39573254D-04
885.0201900 1.81704046D-02 8.11980849D-03 3.04815649D-03
438.2372700 5.17077278D-02 2.34579765D-02 8.79505150D-03
221.4235500 1.27607779D-01 6.02762827D-02 2.28360165D-02
113.4488100 2.51665531D-01 1.24375140D-01 4.73319679D-02
58.6736700 3.53182090D-01 1.86684377D-01 7.24069389D-02
30.5299730 2.75498455D-01 1.08595497D-01 3.77273524D-02
15.9463640 8.81224791D-02 -1.89126547D-01 -9.65071326D-02
8.3481278 8.84940510D-03 -4.79888111D-01 -2.57863694D-01
4.3760740 5.01684153D-04 -3.84033522D-01 -2.31318029D-01
2.2955552 1.08280129D-04 -8.92406480D-02 1.67924036D-01
1.2046095 -1.08931756D-04 -8.39275932D-03 4.77402755D-01
0.63223283 3.50820274D-05 7.03304535D-04 4.07920849D-01
0.33184700 -2.68923867D-05 -7.68680494D-04 1.33120617D-01
0.17418454 5.91106040D-06 2.08931822D-04 2.22262537D-02
Tc D
3969.5313000 2.43994890D-05 7.10649606D-06
1838.5726000 8.51296521D-05 2.55691513D-05
885.0201900 4.48794198D-04 1.31176526D-04
438.2372700 1.89423248D-03 5.64558035D-04
221.4235500 7.51981908D-03 2.22296112D-03
113.4488100 2.58483590D-02 7.73419252D-03
58.6736700 7.44202556D-02 2.23515482D-02
30.5299730 1.73226972D-01 5.28863888D-02
15.9463640 2.90845674D-01 8.67525817D-02
8.3481278 3.42789518D-01 9.66350580D-02
4.3760740 2.43221345D-01 3.05822633D-02
2.2955552 8.00431799D-02 -1.39788674D-01
1.2046095 1.11692246D-02 -2.98794141D-01
0.63223283 2.90733082D-04 -3.43306502D-01
0.33184700 2.96254245D-04 -2.68173437D-01
0.17418454 -1.19944165D-04 -1.28631492D-01
0.91429124E-01 3.68995258D-05 -4.11067331D-02
end
basis "Ru_WTBS" SPHERICAL
Ru S
58766883.0000000 1.06877588D-06 -3.42245733D-07 1.45947663D-07 5.88192592D-08 1.40320096D-08
11888417.0000000 6.03230210D-06 -1.93219482D-06 8.24149685D-07 3.32009422D-07 7.91952017D-08
2795831.7000000 3.42327736D-05 -1.09622668D-05 4.67456559D-06 1.88411321D-06 4.49489769D-07
755482.7500000 1.57945903D-04 -5.06073390D-05 2.15873670D-05 8.69600081D-06 2.07424718D-06
231430.0700000 6.26970430D-04 -2.00938845D-04 8.56908095D-05 3.45423817D-05 8.24098235D-06
79191.0650000 2.16689193D-03 -6.96107880D-04 2.97059572D-04 1.19655136D-04 2.85403399D-05
29803.7850000 6.65399920D-03 -2.14626216D-03 9.15995532D-04 3.69373822D-04 8.81308685D-05
12147.6800000 1.84055493D-02 -6.00615289D-03 2.56883975D-03 1.03487580D-03 2.46837508D-04
5283.7615000 4.60862887D-02 -1.53834476D-02 6.59520098D-03 2.66268110D-03 6.35448054D-04
2419.8346000 1.03291766D-01 -3.62422158D-02 1.56583789D-02 6.31735905D-03 1.50707360D-03
1153.2329000 1.99199255D-01 -7.68167379D-02 3.35903830D-02 1.36195944D-02 3.25269552D-03
566.2959000 3.02945134D-01 -1.40553811D-01 6.32252319D-02 2.56805454D-02 6.13211008D-03
284.2364700 3.03191821D-01 -1.90872896D-01 8.98826560D-02 3.70312294D-02 8.86795018D-03
144.9073000 1.45434163D-01 -1.09793094D-01 5.64797602D-02 2.33294232D-02 5.57812375D-03
74.6781210 1.90742885D-02 2.33263131D-01 -1.43714706D-01 -6.14089609D-02 -1.47637490D-02
38.7661720 1.23080973D-03 5.59483597D-01 -4.67229736D-01 -2.16226612D-01 -5.27399902D-02
20.2194290 -4.76040450D-04 3.47336496D-01 -3.93101383D-01 -1.89401866D-01 -4.64200816D-02
10.5773770 3.33131267D-04 5.34675264D-02 3.09725685D-01 1.67516858D-01 4.15578490D-02
5.5432969 -3.22314341D-04 4.10160704D-03 7.61502357D-01 6.80421204D-01 1.85978239D-01
2.9080944 2.21152930D-04 -9.35498842D-04 2.86867227D-01 3.49732229D-01 9.64501374D-02
1.5264913 -1.57373772D-04 7.02072343D-04 1.84708510D-02 -5.26110936D-01 -1.81535614D-01
0.80150335 1.15453333D-04 -6.66105359D-04 3.25313389D-03 -6.60213562D-01 -2.73551625D-01
0.42089621 -7.95296816D-05 4.26379494D-04 -5.65875272D-05 -2.50161148D-01 -1.94024174D-01
0.22103926 5.36867381D-05 -2.98224169D-04 2.43833725D-04 -1.52251401D-02 8.42877804D-03
0.11608413 -3.37959318D-05 1.86875524D-04 -6.85487554D-05 -4.98376237D-03 2.81070948D-01
0.60964779E-01 1.87121216D-05 -1.06673552D-04 2.68327602D-05 3.45626997D-03 5.07732924D-01
0.32017378E-01 -8.01027862D-06 4.33779601D-05 -9.21383734D-06 -5.53513946D-04 3.34278855D-01
0.16814835E-01 1.92032216D-06 -1.09562844D-05 1.64475263D-06 3.68531139D-04 4.91710969D-02
Ru P
231430.0700000 2.62298537D-06 1.16152948D-06 -4.37862862D-07
79191.0650000 1.20810949D-05 5.27409452D-06 -1.98944897D-06
29803.7850000 6.47561470D-05 2.86855929D-05 -1.08148329D-05
12147.6800000 2.80587534D-04 1.23005854D-04 -4.64046823D-05
5283.7615000 1.11459851D-03 4.94326125D-04 -1.86481371D-04
2419.8346000 3.97335698D-03 1.75596193D-03 -6.63134921D-04
1153.2329000 1.30103879D-02 5.83876183D-03 -2.20772477D-03
566.2959000 3.83426158D-02 1.74002881D-02 -6.59985177D-03
284.2364700 9.99076459D-02 4.70152291D-02 -1.79274470D-02
144.9073000 2.12656632D-01 1.04267711D-01 -4.00877396D-02
74.6781210 3.36646164D-01 1.76815017D-01 -6.88746467D-02
38.7661720 3.20346276D-01 1.56490681D-01 -5.97977731D-02
20.2194290 1.36448046D-01 -9.08925483D-02 5.30051946D-02
10.5773770 1.88936260D-02 -4.29619646D-01 2.24609709D-01
5.5432969 1.18854785D-03 -4.56502136D-01 2.83935815D-01
2.9080944 -2.13418275D-06 -1.49447520D-01 -5.73052938D-02
1.5264913 2.78559421D-07 -1.42483462D-02 -4.35594908D-01
0.80150335 -4.82447246D-05 -7.00484030D-04 -4.51291575D-01
0.42089621 5.73045453D-06 -4.42731285D-04 -1.94679109D-01
0.22103926 -6.26863400D-06 2.11426340D-05 -4.40392209D-02
Ru D
2419.8346000 8.39802429D-05 2.45413732D-05
1153.2329000 2.48021082D-04 7.18166591D-05
566.2959000 1.31283167D-03 3.84443560D-04
284.2364700 5.10615589D-03 1.49043680D-03
144.9073000 1.88144583D-02 5.53919722D-03
74.6781210 5.68121308D-02 1.68039855D-02
38.7661720 1.42904950D-01 4.29485263D-02
20.2194290 2.63907857D-01 7.85783961D-02
10.5773770 3.44449471D-01 9.79668819D-02
5.5432969 2.83085071D-01 5.63332526D-02
2.9080944 1.12335066D-01 -9.81839928D-02
1.5264913 1.86542300D-02 -2.61953516D-01
0.80150335 1.21929352D-03 -3.21838911D-01
0.42089621 4.19312494D-04 -2.80778847D-01
0.22103926 9.92192428D-06 -1.88185857D-01
0.11608413 9.25611198D-05 -8.48789489D-02
0.60964779E-01 -2.94792635D-06 -2.22268704D-02
end
basis "Rh_WTBS" SPHERICAL
Rh S
62334830.0000000 1.04882004D-06 -3.36459276D-07 1.44314957D-07 5.88709147D-08 1.34835908D-08
12665107.0000000 5.88162156D-06 -1.88729040D-06 8.09687263D-07 3.30162550D-07 7.56106764D-08
2985726.8000000 3.33279814D-05 -1.06917386D-05 4.58572600D-06 1.87085849D-06 4.28506694D-07
807485.9900000 1.53744894D-04 -4.93487212D-05 2.11731479D-05 8.63320494D-06 1.97706247D-06
247279.6100000 6.11099451D-04 -1.96202374D-04 8.41574161D-05 3.43381421D-05 7.86514135D-06
84521.3900000 2.11642464D-03 -6.81066044D-04 2.92333242D-04 1.19188352D-04 2.72941903D-05
31762.7180000 6.51457228D-03 -2.10483555D-03 9.03527869D-04 3.68790466D-04 8.44779146D-05
12926.4010000 1.80614884D-02 -5.90259455D-03 2.53920792D-03 1.03542719D-03 2.37111889D-04
5615.1819000 4.53226178D-02 -1.51472601D-02 6.53135842D-03 2.66908079D-03 6.11536800D-04
2569.3288000 1.01801814D-01 -3.57398495D-02 1.55300514D-02 6.34218139D-03 1.45262213D-03
1224.0071000 1.96909474D-01 -7.58987768D-02 3.33755723D-02 1.36980597D-02 3.14078642D-03
601.1386300 3.01050134D-01 -1.39283488D-01 6.29965359D-02 2.59019847D-02 5.93834932D-03
301.9227900 3.04679662D-01 -1.90767070D-01 9.02927713D-02 3.76590891D-02 8.65813030D-03
154.0943400 1.49425322D-01 -1.14303106D-01 5.90707851D-02 2.47150727D-02 5.67570006D-03
79.5304510 2.04969344D-02 2.22781587D-01 -1.37792699D-01 -5.95947773D-02 -1.37583699D-02
41.3586420 1.24999653D-03 5.56490704D-01 -4.64349717D-01 -2.17666575D-01 -5.09759221D-02
21.6149220 -4.59752013D-04 3.57183695D-01 -4.07397680D-01 -1.99421776D-01 -4.69716906D-02
11.3319630 3.28652200D-04 5.75316328D-02 2.94278209D-01 1.61068505D-01 3.83534491D-02
5.9523232 -3.22120056D-04 4.20250259D-03 7.68863695D-01 6.97241090D-01 1.83240881D-01
3.1300407 2.21682334D-04 -9.40980004D-04 2.94918440D-01 3.56459141D-01 9.35605529D-02
1.6469432 -1.58148923D-04 7.08678022D-04 1.98142987D-02 -5.31048751D-01 -1.76238811D-01
0.86684956 1.16316847D-04 -6.83091537D-04 3.34708048D-03 -6.58832617D-01 -2.57245356D-01
0.45632420 -8.02213993D-05 4.38348439D-04 -1.46808584D-05 -2.52235432D-01 -1.83235456D-01
0.24023200 5.41848834D-05 -3.07619670D-04 2.34261564D-04 -1.57902095D-02 -6.45551929D-03
0.12647318 -3.40991207D-05 1.93544901D-04 -5.73196337D-05 -5.50644881D-03 2.37734060D-01
0.66583883E-01 1.88569635D-05 -1.09293455D-04 2.19329344D-05 3.05205266D-03 4.84920895D-01
0.35054238E-01 -8.05497632D-06 4.51398584D-05 -5.75407790D-06 -8.97321532D-04 3.74247387D-01
0.18454915E-01 1.92524307D-06 -1.12701682D-05 1.10351208D-06 3.53292761D-04 7.51575794D-02
Rh P
247279.6100000 2.53667547D-06 1.13171421D-06 -4.33531714D-07
84521.3900000 1.17248635D-05 5.15622095D-06 -1.97542971D-06
31762.7180000 6.29986464D-05 2.81147046D-05 -1.07711572D-05
12926.4010000 2.73811372D-04 1.20921247D-04 -4.63372232D-05
5615.1819000 1.08999152D-03 4.86993011D-04 -1.86676644D-04
2569.3288000 3.89230582D-03 1.73278702D-03 -6.64745944D-04
1224.0071000 1.27589216D-02 5.76799946D-03 -2.21609799D-03
601.1386300 3.76387554D-02 1.72040707D-02 -6.62939603D-03
301.9227900 9.82233802D-02 4.65518683D-02 -1.80384039D-02
154.0943400 2.09808192D-01 1.03601523D-01 -4.04756979D-02
79.5304510 3.34328164D-01 1.76866219D-01 -7.00399884D-02
41.3586420 3.22456734D-01 1.59917865D-01 -6.22170050D-02
21.6149220 1.40663037D-01 -8.39151493D-02 5.09090284D-02
11.3319630 2.00772719D-02 -4.27899938D-01 2.28873257D-01
5.9523232 1.22230215D-03 -4.60861385D-01 2.92050587D-01
3.1300407 -2.13918518D-05 -1.51494985D-01 -6.06585531D-02
1.6469432 5.32627764D-07 -1.47360245D-02 -4.40419331D-01
0.86684956 -5.64461995D-05 -7.36317235D-04 -4.49027643D-01
0.45632420 7.16415466D-06 -4.90690345D-04 -1.92453793D-01
0.24023200 -7.32419013D-06 1.68326555D-05 -4.34846689D-02
Rh D
2569.3288000 8.31750247D-05 2.52848583D-05
1224.0071000 2.46041294D-04 7.39663568D-05
601.1386300 1.30280183D-03 3.96886848D-04
301.9227900 5.06386665D-03 1.53593098D-03
154.0943400 1.86771408D-02 5.71989102D-03
79.5304510 5.64947022D-02 1.73757075D-02
41.3586420 1.42448007D-01 4.45593000D-02
21.6149220 2.64020812D-01 8.18137354D-02
11.3319630 3.45839405D-01 1.02436876D-01
5.9523232 2.82760833D-01 5.67656519D-02
3.1300407 1.10142057D-01 -1.07517002D-01
1.6469432 1.79610448D-02 -2.72225489D-01
0.86684956 1.21112135D-03 -3.23775627D-01
0.45632420 5.14868199D-04 -2.74843372D-01
0.24023200 4.27085583D-05 -1.79157776D-01
0.12647318 1.19146938D-04 -7.83748962D-02
0.66583883E-01 -4.28901733D-07 -2.00687121D-02
end
basis "Pd_WTBS" SPHERICAL
Pd S
130626290.0000000 4.33992912D-07 -1.39493876D-07 -6.01753973D-08 2.46995218D-08
27498757.0000000 2.30823515D-06 -7.41682131D-07 -3.19776300D-07 1.31269512D-07
6605763.6000000 1.29556509D-05 -4.16465030D-06 -1.79679414D-06 7.37492073D-07
1794880.2000000 5.99406733D-05 -1.92619001D-05 -8.30440116D-06 3.40904592D-06
546036.0400000 2.42576426D-04 -7.80137892D-05 -3.36633876D-05 1.38169762D-05
183890.1400000 8.63898502D-04 -2.77923659D-04 -1.19825000D-04 4.91923508D-05
67732.0030000 2.75643139D-03 -8.89390396D-04 -3.84014224D-04 1.57624122D-04
26948.9650000 7.97894719D-03 -2.58650051D-03 -1.11607149D-03 4.58302466D-04
11441.8360000 2.11532223D-02 -6.94855284D-03 -3.00840672D-03 1.23534898D-03
5124.1663000 5.13064758D-02 -1.72774001D-02 -7.49187293D-03 3.07980648D-03
2395.1302000 1.11993698D-01 -3.98178118D-02 -1.74366440D-02 7.17456440D-03
1157.6121000 2.10157961D-01 -8.26885831D-02 -3.66281192D-02 1.51228480D-02
573.9492900 3.08220852D-01 -1.47644840D-01 -6.75815324D-02 2.80374723D-02
290.0094400 2.91229842D-01 -1.91084605D-01 -9.15079972D-02 3.83926478D-02
148.5590700 1.27232096D-01 -8.80467483D-02 -4.69380335D-02 2.00151084D-02
76.8358500 1.41073538D-02 2.77891795D-01 1.79403767D-01 -7.94432448D-02
40.0010560 1.08268533D-03 5.63770761D-01 4.94609230D-01 -2.34610346D-01
20.9144490 -4.83236548D-04 3.09247177D-01 3.53835474D-01 -1.78907770D-01
10.9647680 3.00728097D-04 4.08113508D-02 -4.10182485D-01 2.45174230D-01
5.7578601 -2.76886225D-04 2.90955949D-03 -7.52268546D-01 7.45360311D-01
3.0263932 1.78939018D-04 -6.68403312D-04 -2.17459186D-01 2.01584396D-01
1.5914853 -1.10261567D-04 3.15314876D-04 -1.64701458D-02 -6.10478087D-01
0.83711076 6.39091543D-05 -2.97019578D-04 4.49289004D-06 -6.04945334D-01
0.44035951 -2.68534600D-05 1.00161855D-04 -1.31968446D-03 -1.88894125D-01
0.23165830 6.49534635D-06 -2.76281420D-05 1.84496166D-04 -2.00618577D-02
Pd P
183890.1400000 4.51642126D-06 2.02935735D-06 -7.86836024D-07
67732.0030000 1.70600766D-05 7.54321925D-06 -2.89529876D-06
26948.9650000 8.67486237D-05 3.90340426D-05 -1.51430896D-05
11441.8360000 3.50719936D-04 1.55853387D-04 -5.99665594D-05
5124.1663000 1.33794825D-03 6.02729526D-04 -2.33637138D-04
2395.1302000 4.62702020D-03 2.07520067D-03 -8.00502620D-04
1157.6121000 1.48096247D-02 6.75705789D-03 -2.62341602D-03
573.9492900 4.28539950D-02 1.97856182D-02 -7.67591566D-03
290.0094400 1.09314546D-01 5.24731018D-02 -2.05536949D-02
148.5590700 2.26542587D-01 1.13487972D-01 -4.46914810D-02
76.8358500 3.44139007D-01 1.84979603D-01 -7.42041022D-02
40.0010560 3.05458518D-01 1.43167731D-01 -5.46347436D-02
20.9144490 1.17670753D-01 -1.31080417D-01 7.36690445D-02
10.9647680 1.41342908D-02 -4.65915867D-01 2.59396946D-01
5.7578601 8.05835106D-04 -4.27243918D-01 2.70893506D-01
3.0263932 -2.79786053D-05 -1.12278876D-01 -1.43811094D-01
1.5914853 -4.32770317D-05 -1.08566303D-02 -4.67675692D-01
0.83711076 -3.07389727D-05 2.10582051D-04 -4.09904409D-01
0.44035951 -4.89762638D-06 -8.36151224D-04 -1.58862982D-01
0.23165830 -5.00033293D-06 8.12068621D-05 -3.54445873D-02
Pd D
2395.1302000 1.09140323D-04 3.28409295D-05
1157.6121000 3.03923748D-04 8.98720749D-05
573.9492900 1.59891738D-03 4.82356537D-04
290.0094400 6.10959121D-03 1.82841547D-03
148.5590700 2.20333846D-02 6.67863045D-03
76.8358500 6.53352438D-02 1.98747921D-02
40.0010560 1.59550124D-01 4.94438370D-02
20.9144490 2.82723759D-01 8.61381324D-02
10.9647680 3.50650628D-01 1.01445525D-01
5.7578601 2.57934481D-01 3.54726118D-02
3.0263932 8.49255347D-02 -1.42716646D-01
1.5914853 1.17472473D-02 -2.83925142D-01
0.83711076 3.15315580D-04 -3.08255955D-01
0.44035951 4.04536269D-04 -2.50754067D-01
0.23165830 -1.86221704D-04 -1.74030253D-01
0.12186891 9.90899146D-05 -8.63159389D-02
0.64111928E-01 -2.91717389D-05 -3.35991391D-02
end
basis "Ag_WTBS" SPHERICAL
Ag S
45797651.0000000 1.72861338D-06 5.56446247D-07 2.41217676D-07 1.00374542D-07 2.10780925D-08
9172008.3000000 9.90614285D-06 3.18908803D-06 1.38296149D-06 5.75942580D-07 1.20973366D-07
2143663.3000000 5.64685503D-05 1.81792112D-05 7.88007411D-06 3.27839358D-06 6.88405544D-07
577660.5800000 2.60856392D-04 8.40133456D-05 3.64369633D-05 1.51765742D-05 3.18787873D-06
176988.2600000 1.03211659D-03 3.32710957D-04 1.44232224D-04 5.99955227D-05 1.25973291D-05
60714.9740000 3.54139033D-03 1.14490454D-03 4.96873367D-04 2.07037710D-04 4.34932147D-05
22947.6340000 1.07437917D-02 3.49698769D-03 1.51771851D-03 6.31221550D-04 1.32527837D-04
9403.8165000 2.91443824D-02 9.64072605D-03 4.19822895D-03 1.75136778D-03 3.68010878D-04
4115.0385000 7.06169284D-02 2.41707344D-02 1.05604125D-02 4.39491904D-03 9.22737238D-04
1896.4270000 1.49443420D-01 5.48761758D-02 2.42586463D-02 1.01584980D-02 2.13611991D-03
909.4152300 2.60030029D-01 1.09415794D-01 4.92039576D-02 2.05673494D-02 4.32040250D-03
449.2429100 3.27111197D-01 1.76750726D-01 8.28773745D-02 3.51914569D-02 7.41854592D-03
226.7620500 2.31837244D-01 1.76270786D-01 8.75686988D-02 3.70697921D-02 7.79409380D-03
116.2211000 6.09616458D-02 -4.35294426D-02 -2.42655955D-02 -9.59328746D-03 -1.96988096D-03
60.1940580 3.07860051D-03 -4.59914104D-01 -3.38867022D-01 -1.59235528D-01 -3.41437805D-02
31.3949820 2.25684857D-04 -5.04908398D-01 -5.24739068D-01 -2.55529570D-01 -5.48562868D-02
16.4485960 -3.23652446D-05 -1.52573031D-01 -5.57055103D-02 -4.16781020D-02 -1.00939035D-02
8.6421072 -9.11383672D-05 -1.13025698D-02 7.11953863D-01 5.51250203D-01 1.29575438D-01
4.5482183 4.37947845D-05 2.11929665D-04 5.40300931D-01 6.55929485D-01 1.61521130D-01
2.3959603 -3.70477353D-05 -6.27687773D-04 5.91842986D-02 -2.66209290D-01 -8.57054152D-02
1.2628229 3.26102702D-05 7.36485386D-04 1.52309021D-02 -7.09553931D-01 -2.25226710D-01
0.66576081 -2.20224688D-05 -4.73451696D-04 -7.16420048D-03 -4.17730089D-01 -1.98149913D-01
0.35103158 1.59086761D-05 3.63158999D-04 5.98709505D-03 -5.64583647D-02 -8.17059826D-02
0.18509546 -1.07194577D-05 -2.47184710D-04 -4.01718311D-03 -9.77655520D-03 8.55865053D-02
0.97600734E-01 6.75376787D-06 1.57437481D-04 2.58161268D-03 4.35958803D-03 3.44919747D-01
0.51465084E-01 -3.73983207D-06 -8.76908642D-05 -1.44616095D-03 -2.91117143D-03 4.82329246D-01
0.27137684E-01 1.59103030D-06 3.74162843D-05 6.18852472D-04 1.14851072D-03 2.41225077D-01
0.14309780E-01 -3.80253156D-07 -8.96478526D-06 -1.48812191D-04 -3.06876341D-04 2.08420931D-02
Ag P
176988.2600000 5.31359544D-06 2.38700022D-06 9.44121471D-07
60714.9740000 2.44789921D-05 1.10036078D-05 4.29832179D-06
22947.6340000 1.28823871D-04 5.79223223D-05 2.29113661D-05
9403.8165000 5.54080343D-04 2.49570235D-04 9.77506628D-05
4115.0385000 2.14751571D-03 9.70073190D-04 3.83428674D-04
1896.4270000 7.49457695D-03 3.40811664D-03 1.33893188D-03
909.4152300 2.35374476D-02 1.08378555D-02 4.29435800D-03
449.2429100 6.59092615D-02 3.11075391D-02 1.23132218D-02
226.7620500 1.55960828D-01 7.66311494D-02 3.07187711D-02
116.2211000 2.87643407D-01 1.49676524D-01 6.03499405D-02
60.1940580 3.55559097D-01 1.93368375D-01 7.94268621D-02
31.3949820 2.25447017D-01 4.73941847D-02 9.69446016D-03
16.4485960 5.34364744D-02 -3.01688301D-01 -1.62364071D-01
8.6421072 3.81878787D-03 -5.16291367D-01 -3.22588378D-01
4.5482183 5.36670625D-05 -2.74770122D-01 -1.15214162D-01
2.3959603 7.28093163D-05 -3.74707098D-02 3.54440731D-01
1.2628229 -1.48158921D-04 -4.67194486D-03 4.84825496D-01
0.66576081 4.91123783D-05 6.87998864D-04 2.93294610D-01
0.35103158 -3.54862134D-05 -6.81974425D-04 6.95498393D-02
0.18509546 7.18568253D-06 1.37136868D-04 9.96510444D-03
Ag D
4115.0385000 3.71829530D-05 1.18460232D-05
1896.4270000 1.27618906D-04 4.12456632D-05
909.4152300 6.91819981D-04 2.21050956D-04
449.2429100 2.85476218D-03 9.21700280D-04
226.7620500 1.12579808D-02 3.63174674D-03
116.2211000 3.69745939D-02 1.20451761D-02
60.1940580 1.02374769D-01 3.37080275D-02
31.3949820 2.17855556D-01 7.24286157D-02
16.4485960 3.30018585D-01 1.05936281D-01
8.6421072 3.30298402D-01 9.19244771D-02
4.5482183 1.69785927D-01 -4.84010336D-02
2.3959603 3.55723137D-02 -2.42901240D-01
1.2628229 3.33789557D-03 -3.27863659D-01
0.66576081 -1.31655425D-05 -2.94599129D-01
0.35103158 1.78867624D-04 -2.03576168D-01
0.18509546 -7.66960237D-05 -9.55447496D-02
0.97600734E-01 2.33983167D-05 -3.23047059D-02
end
basis "Cd_WTBS" SPHERICAL
Cd S
52606084.0000000 1.52994255D-06 4.93259435D-07 2.14896391D-07 9.07550508D-08 2.15695974D-08
10583073.0000000 8.71051148D-06 2.80881249D-06 1.22431190D-06 5.17384711D-07 1.22990354D-07
2479281.7000000 4.95888793D-05 1.59886772D-05 6.96500258D-06 2.94101621D-06 6.98953463D-07
668574.9200000 2.29094683D-04 7.39040222D-05 3.22176593D-05 1.36164632D-05 3.23695138D-06
204765.1800000 9.07733352D-04 2.93014969D-04 1.27649025D-04 5.38937610D-05 1.28076743D-05
70179.5840000 3.12104084D-03 1.01031946D-03 4.40723444D-04 1.86327265D-04 4.42981464D-05
26500.1950000 9.49216576D-03 3.09081329D-03 1.34778809D-03 5.68993366D-04 1.35211319D-04
10853.9960000 2.58388799D-02 8.54052152D-03 3.73754780D-03 1.58172925D-03 3.76131621D-04
4750.5708000 6.29990748D-02 2.14682097D-02 9.41706019D-03 3.97832853D-03 9.45410680D-04
2191.7188000 1.35064420D-01 4.90805889D-02 2.17786860D-02 9.24790673D-03 2.20058820D-03
1053.1878000 2.41548325D-01 9.92135926D-02 4.46611265D-02 1.89476197D-02 4.50517651D-03
521.8254300 3.22081598D-01 1.66419478D-01 7.79313754D-02 3.35018040D-02 7.99017966D-03
264.4116000 2.56403145D-01 1.85516798D-01 9.14230243D-02 3.93282410D-02 9.36556992D-03
136.1357600 8.40224793D-02 1.55531307D-02 9.35928049D-03 4.93287470D-03 1.23717715D-03
70.8711400 5.80317068D-03 -3.88326083D-01 -2.73622148D-01 -1.28979661D-01 -3.12742856D-02
37.1705320 6.08187787D-04 -5.40794327D-01 -5.28294173D-01 -2.59829759D-01 -6.31871583D-02
19.5899640 -2.67878729D-04 -2.15467234D-01 -2.04754178D-01 -1.19269662D-01 -3.04357148D-02
10.3560040 9.55079794D-05 -2.02118321D-02 6.03865677D-01 4.36180643D-01 1.14823987D-01
5.4846649 -1.07464597D-04 -9.41921506D-04 6.53834739D-01 7.52063997D-01 2.11015547D-01
2.9078269 7.07434263D-05 -3.42601147D-05 1.12712830D-01 -7.32550426D-02 -3.73296436D-02
1.5425458 -4.52360044D-05 2.91577205D-04 1.81933337D-02 -7.06073967D-01 -2.49948731D-01
0.81853170 3.40659293D-05 -1.23634153D-04 -7.20770924D-03 -5.11893029D-01 -2.62464568D-01
0.43440308 -2.30994210D-05 1.24341002D-04 6.54449672D-03 -9.40981922D-02 -1.18110158D-01
0.23055552 1.55598850D-05 -8.44391938D-05 -4.43297584D-03 -8.95787385D-03 1.23746682D-01
0.12236787 -9.77352541D-06 5.48339618D-05 2.87787670D-03 3.02580742D-03 3.75999088D-01
0.64947438E-01 5.39245476D-06 -3.06625026D-05 -1.61303340D-03 -1.95179208D-03 4.64007927D-01
0.34471270E-01 -2.29226298D-06 1.31159505D-05 6.91830208D-04 8.77859932D-04 2.27925131D-01
0.18295851E-01 5.44585897D-07 -3.12348185D-06 -1.65107733D-04 -2.15408312D-04 2.24623954D-02
Cd P
204765.1800000 4.45269853D-06 2.01855645D-06 8.14461677D-07
70179.5840000 2.05175547D-05 9.24773484D-06 3.67461336D-06
26500.1950000 1.08416878D-04 4.91861998D-05 1.98464307D-05
10853.9960000 4.66012719D-04 2.10675080D-04 8.39796654D-05
4750.5708000 1.81095849D-03 8.24428313D-04 3.32278159D-04
2191.7188000 6.32146819D-03 2.88464639D-03 1.15354870D-03
1053.1878000 1.99575601D-02 9.24069990D-03 3.73187958D-03
521.8254300 5.63498002D-02 2.66065227D-02 1.07160764D-02
264.4116000 1.36551960D-01 6.71332287D-02 2.74058874D-02
136.1357600 2.62632299D-01 1.35901806D-01 5.56954153D-02
70.8711400 3.53227519D-01 1.94241465D-01 8.14400835D-02
37.1705320 2.59545492D-01 9.36735011D-02 3.22407883D-02
19.5899640 7.72918148D-02 -2.28741418D-01 -1.26781075D-01
10.3560040 6.83503764D-03 -5.08531961D-01 -3.14743191D-01
5.4846649 2.88761010D-04 -3.42107529D-01 -1.96875836D-01
2.9078269 8.23083918D-06 -6.23059573D-02 2.81160271D-01
1.5425458 -1.16078725D-04 -7.12483373D-03 4.97353220D-01
0.81853170 1.96521996D-05 9.25927122D-04 3.44694112D-01
0.43440308 -2.50167181D-05 -9.23661756D-04 9.16980646D-02
0.23055552 4.36415968D-06 2.14456304D-04 1.42013035D-02
Cd D
4750.5708000 3.00892478D-05 1.00955822D-05
2191.7188000 1.04309653D-04 3.59857071D-05
1053.1878000 5.59134643D-04 1.88297788D-04
521.8254300 2.32144097D-03 7.96255513D-04
264.4116000 9.16913029D-03 3.12522292D-03
136.1357600 3.07550212D-02 1.06201791D-02
70.8711400 8.70518440D-02 3.02707236D-02
37.1705320 1.94563336D-01 6.87467033D-02
19.5899640 3.12964790D-01 1.07368768D-01
10.3560040 3.42372280D-01 1.07142427D-01
5.4846649 2.02913590D-01 -1.60341990D-02
2.9078269 5.06309244D-02 -2.24903065D-01
1.5425458 5.57156898D-03 -3.36528980D-01
0.81853170 -8.35875260D-05 -3.13275709D-01
0.43440308 2.89466466D-04 -2.08588656D-01
0.23055552 -1.30636020D-04 -8.93096871D-02
0.12236787 3.87827930D-05 -2.48161522D-02
end
basis "In_WTBS" SPHERICAL
In S
87470639.0000000 8.45950970D-07 -2.73155078D-07 1.19591176D-07 5.12403771D-08 1.38102133D-08
18006198.0000000 4.65994563D-06 -1.50495049D-06 6.59009379D-07 2.82221427D-07 7.60503929D-08
4262079.9000000 2.64548142D-05 -8.54238996D-06 3.73985677D-06 1.60257419D-06 4.31940463D-07
1148864.2000000 1.23157972D-04 -3.97843207D-05 1.74222880D-05 7.46068619D-06 2.01039271D-06
348743.0300000 4.97295142D-04 -1.60691791D-04 7.03554711D-05 3.01517955D-05 8.12710483D-06
117744.7700000 1.75591577D-03 -5.68457033D-04 2.49024422D-04 1.06630221D-04 2.87319525D-05
43636.0640000 5.51822821D-03 -1.79299564D-03 7.85580337D-04 3.36789521D-04 9.07869021D-05
17513.6350000 1.56157671D-02 -5.12473595D-03 2.24945197D-03 9.63310582D-04 2.59560890D-04
7513.1800000 3.99823358D-02 -1.33921016D-02 5.89193499D-03 2.52896694D-03 6.81905038D-04
3402.7327000 9.17115350D-02 -3.21182685D-02 1.42292143D-02 6.10208003D-03 1.64445403D-03
1608.9689000 1.82074545D-01 -6.95012142D-02 3.11444931D-02 1.34257067D-02 3.62315099D-03
786.6270000 2.89519048D-01 -1.30713886D-01 6.01132563D-02 2.59495077D-02 7.00002052D-03
394.4084800 3.14383465D-01 -1.89031447D-01 9.08268199D-02 3.97887801D-02 1.07710289D-02
201.4615600 1.74964324D-01 -1.39357371D-01 7.26218039D-02 3.19265612D-02 8.62809012D-03
104.2858300 3.04661182D-02 1.62097683D-01 -1.00419015D-01 -4.52891951D-02 -1.22829386D-02
54.4873180 1.47819518D-03 5.34429209D-01 -4.37076649D-01 -2.15125072D-01 -5.94501241D-02
28.6482800 -3.28271514D-04 4.11320039D-01 -4.74016353D-01 -2.45194607D-01 -6.81826004D-02
15.1248690 2.77929402D-04 8.39231524D-02 1.89339823D-01 1.04185944D-01 2.86611296D-02
8.0059708 -3.02388416D-04 5.22265361D-03 7.90837135D-01 7.40447540D-01 2.32237334D-01
4.2444232 2.09336740D-04 -8.38800421D-04 3.57179693D-01 4.43616496D-01 1.37231038D-01
2.2522420 -1.51667167D-04 6.89658217D-04 2.84658831D-02 -5.18104835D-01 -2.03772969D-01
1.1957015 1.13409688D-04 -7.32410437D-04 5.36478223D-03 -7.00000984D-01 -3.33196314D-01
0.63494496 -7.85999010D-05 4.75333881D-04 -1.00353718D-03 -2.65139930D-01 -2.54775087D-01
0.33720751 5.32993094D-05 -3.37641408D-04 9.59192863D-04 -1.05743799D-02 6.27142763D-02
0.17909250 -3.35923274D-05 2.15026780D-04 -5.41335727D-04 -6.46576491D-03 3.86891227D-01
0.95118260E-01 1.85390566D-05 -1.19291752D-04 2.86007636D-04 3.23860513D-03 5.01569501D-01
0.50518679E-01 -7.87677150D-06 5.09503007D-05 -1.21845120D-04 -1.46681500D-03 2.56930323D-01
0.26831215E-01 1.86762110D-06 -1.20863432D-05 2.82597541D-05 3.43905362D-04 3.37813783D-02
In P
117744.7700000 1.23537983D-05 -5.59665246D-06 -2.28261866D-06 -4.53701777D-07
43636.0640000 4.60174264D-05 -2.10653697D-05 -8.61543877D-06 -1.71654095D-06
17513.6350000 2.28208096D-04 -1.03447364D-04 -4.21938184D-05 -8.38555565D-06
7513.1800000 9.03926029D-04 -4.14169197D-04 -1.69392255D-04 -3.37369326D-05
3402.7327000 3.31723546D-03 -1.51476330D-03 -6.18749149D-04 -1.23027264D-04
1608.9689000 1.10236298D-02 -5.10717623D-03 -2.09295209D-03 -4.16859239D-04
786.6270000 3.30445551D-02 -1.54684757D-02 -6.34839081D-03 -1.26329483D-03
394.4084800 8.77606023D-02 -4.25258536D-02 -1.75755698D-02 -3.50422070D-03
201.4615600 1.92763428D-01 -9.72725211D-02 -4.04964692D-02 -8.07448791D-03
104.2858300 3.20816351D-01 -1.73331001D-01 -7.32902057D-02 -1.46609635D-02
54.4873180 3.35018882D-01 -1.77168332D-01 -7.42641529D-02 -1.48036698D-02
28.6482800 1.66340764D-01 4.08590989D-02 3.35596751D-02 7.13241310D-03
15.1248690 2.82575347D-02 4.04528113D-01 2.35565921D-01 4.93118446D-02
8.0059708 1.57189319D-03 4.86302448D-01 3.29862113D-01 7.02523813D-02
4.2444232 -7.57658816D-05 1.75343326D-01 -3.91625031D-02 -1.60916621D-02
2.2522420 1.18382781D-05 1.91480317D-02 -4.58532935D-01 -1.18044200D-01
1.1957015 -1.08184545D-04 9.01107211D-04 -4.59447370D-01 -1.26414079D-01
0.63494496 4.22017180D-05 8.28864883D-04 -1.93210072D-01 -6.41566563D-02
0.33720751 -3.81907096D-05 -3.93928114D-04 -2.61600511D-02 8.22648526D-02
0.17909250 2.33959745D-05 2.84700547D-04 -3.73626052D-03 2.37888926D-01
0.95118260E-01 -1.33716694D-05 -1.75667266D-04 2.97024609D-04 3.85572316D-01
0.50518679E-01 6.14077173D-06 7.84921247D-05 -4.48532977D-04 3.07453579D-01
0.26831215E-01 -1.59935316D-06 -2.15095201D-05 7.14527864D-05 1.51392562D-01
In D
7513.1800000 1.17965288D-05 4.13345315D-06
3402.7327000 4.71709139D-05 1.72111760D-05
1608.9689000 2.47548412D-04 8.72431029D-05
786.6270000 1.11768704D-03 4.03582234D-04
394.4084800 4.56368067D-03 1.62988224D-03
201.4615600 1.69150273D-02 6.12911586D-03
104.2858300 5.22522057D-02 1.89697216D-02
54.4873180 1.34645716D-01 4.99139759D-02
28.6482800 2.57691485D-01 9.47992152D-02
15.1248690 3.48907893D-01 1.23383337D-01
8.0059708 2.90006374D-01 6.64164450D-02
4.2444232 1.11982443D-01 -1.34432641D-01
2.2522420 1.77073430D-02 -3.18367629D-01
1.1957015 7.75804498D-04 -3.50075310D-01
0.63494496 2.78398137D-04 -2.60450373D-01
0.33720751 -1.00083696D-04 -1.14176776D-01
0.17909250 2.65780934D-05 -3.54248677D-02
end
basis "Sn_WTBS" SPHERICAL
Sn S
92533822.0000000 8.25814813D-07 -2.67051611D-07 1.17460816D-07 5.10206266D-08 1.49192460D-08
19290575.0000000 4.46219645D-06 -1.44318160D-06 6.34833607D-07 2.75594998D-07 8.05696372D-08
4600810.6000000 2.52023277D-05 -8.15017380D-06 3.58475215D-06 1.55728339D-06 4.55398786D-07
1244348.4000000 1.17105498D-04 -3.78835910D-05 1.66651096D-05 7.23425017D-06 2.11486206D-06
377768.8000000 4.73934890D-04 -1.53370478D-04 6.74635805D-05 2.93111049D-05 8.57189859D-06
127273.2600000 1.68102322D-03 -5.44946227D-04 2.39798362D-04 1.04086024D-04 3.04269569D-05
47008.7590000 5.31229220D-03 -1.72837022D-03 7.60814080D-04 3.30672686D-04 9.67147842D-05
18797.7520000 1.51145768D-02 -4.96499519D-03 2.18893324D-03 9.50210390D-04 2.77756535D-04
8037.8160000 3.88788009D-02 -1.30306524D-02 5.75966601D-03 2.50636718D-03 7.33283559D-04
3632.1184000 8.95139904D-02 -3.13339598D-02 1.39396360D-02 6.05928850D-03 1.77142123D-03
1715.8784000 1.78387422D-01 -6.79567102D-02 3.05884367D-02 1.33690391D-02 3.91502607D-03
839.4131400 2.85501539D-01 -1.28132933D-01 5.91230198D-02 2.58652174D-02 7.56862031D-03
421.7808300 3.14963692D-01 -1.87269278D-01 9.02944344D-02 4.01097551D-02 1.17857182D-02
216.2154700 1.81919136D-01 -1.45233277D-01 7.56349541D-02 3.36694491D-02 9.86472339D-03
112.4651500 3.44836952D-02 1.39602644D-01 -8.60205114D-02 -3.90724083D-02 -1.14641269D-02
59.1070830 1.63939640D-03 5.17864343D-01 -4.18415324D-01 -2.08614561D-01 -6.26449983D-02
31.2863160 -2.42638279D-04 4.31214825D-01 -4.91713187D-01 -2.56907021D-01 -7.74611130D-02
16.6392260 2.33813178D-04 9.98578378D-02 1.21895428D-01 6.21170615D-02 1.76433280D-02
8.8764615 -2.76858580D-04 6.19729459D-03 7.79785129D-01 7.19141231D-01 2.45314985D-01
4.7442364 1.89763963D-04 -5.49530075D-04 4.07734595D-01 5.21776884D-01 1.78119344D-01
2.5384839 -1.39176787D-04 5.38630582D-04 3.77598844D-02 -4.56362795D-01 -1.95561183D-01
1.3590930 1.05557239D-04 -6.53919630D-04 7.54720073D-03 -7.32618509D-01 -3.79142343D-01
0.72788210 -7.32165866D-05 4.16014847D-04 -2.20500628D-03 -3.02373285D-01 -3.08603939D-01
0.38988551 4.97795455D-05 -3.00334001D-04 1.87835130D-03 -1.37974642D-02 8.52520606D-02
0.20885248 -3.13790998D-05 1.92611077D-04 -1.15544326D-03 -7.55278819D-03 4.35729413D-01
0.11187973 1.72467842D-05 -1.06301014D-04 6.21416243D-04 3.63079261D-03 5.05351626D-01
0.59932947E-01 -7.28552314D-06 4.53425133D-05 -2.67728035D-04 -1.70368389D-03 2.25787445D-01
0.32105564E-01 1.71145019D-06 -1.06522205D-05 6.22727785D-05 3.90561241D-04 2.47306755D-02
Sn P
127273.2600000 1.16125294D-05 -5.29389323D-06 2.20043845D-06 -5.12827935D-07
47008.7590000 4.37208609D-05 -2.01122483D-05 8.36597090D-06 -1.95045733D-06
18797.7520000 2.17922587D-04 -9.94165325D-05 4.13309767D-05 -9.63260065D-06
8037.8160000 8.68205726D-04 -3.99836266D-04 1.66384035D-04 -3.87914547D-05
3632.1184000 3.19723262D-03 -1.46887634D-03 6.11399694D-04 -1.42522543D-04
1715.8784000 1.06354158D-02 -4.95254755D-03 2.06548552D-03 -4.81698339D-04
839.4131400 3.18710345D-02 -1.50020723D-02 6.27276081D-03 -1.46322817D-03
421.7808300 8.45775865D-02 -4.11651037D-02 1.73157710D-02 -4.04327370D-03
216.2154700 1.86284891D-01 -9.44180802D-02 4.00464178D-02 -9.36097999D-03
112.4651500 3.13183533D-01 -1.69719911D-01 7.30230536D-02 -1.71085393D-02
59.1070830 3.36792120D-01 -1.81373331D-01 7.78425366D-02 -1.82207362D-02
31.2863160 1.77595858D-01 1.95368561D-02 -2.35693250D-02 6.06127918D-03
16.6392260 3.35448725D-02 3.79795510D-01 -2.24913433D-01 5.52266093D-02
8.8764615 1.91334931D-03 4.95816445D-01 -3.42505474D-01 8.61577692D-02
4.7442364 -2.19819846D-05 1.99261840D-01 -9.85605199D-04 -8.68899694D-03
2.5384839 -1.47656319D-05 2.39481675D-02 4.42535939D-01 -1.35172956D-01
1.3590930 -1.01917911D-04 1.63225122D-03 4.79092110D-01 -1.58863378D-01
0.72788210 3.46779753D-05 5.26247033D-04 2.09498975D-01 -8.22093161D-02
0.38988551 -3.40574958D-05 -1.61953756D-04 2.84416534D-02 1.06250255D-01
0.20885248 2.10484078D-05 1.25428219D-04 4.13778196D-03 3.01671076D-01
0.11187973 -1.19311442D-05 -8.54706465D-05 -4.27838618D-04 4.03054427D-01
0.59932947E-01 5.52380237D-06 3.61580260D-05 5.29128892D-04 2.71533136D-01
0.32105564E-01 -1.41122463D-06 -1.03172012D-05 -9.63563087D-05 8.82618799D-02
Sn D
8037.8160000 1.13137445D-05 4.15026842D-06
3632.1184000 4.55588908D-05 1.72946778D-05
1715.8784000 2.39274754D-04 8.82206047D-05
839.4131400 1.07799546D-03 4.05855771D-04
421.7808300 4.38274207D-03 1.63535477D-03
216.2154700 1.61830492D-02 6.11960939D-03
112.4651500 4.98946629D-02 1.89181985D-02
59.1070830 1.28823767D-01 4.98552333D-02
31.2863160 2.49308140D-01 9.60157528D-02
16.6392260 3.44166886D-01 1.27717962D-01
8.8764615 2.96872302D-01 7.62922305D-02
4.7442364 1.22077463D-01 -1.24747041D-01
2.5384839 2.08251710D-02 -3.19955977D-01
1.3590930 1.06679817D-03 -3.60034421D-01
0.72788210 2.43155607D-04 -2.61396191D-01
0.38988551 -8.45569938D-05 -1.05725317D-01
0.20885248 1.65043285D-05 -2.98028593D-02
end
basis "Sb_WTBS" SPHERICAL
Sb S
98892387.0000000 7.96488146D-07 -2.57939283D-07 1.13956620D-07 5.01547414D-08 1.55764572D-08
20783995.0000000 4.24970272D-06 -1.37638343D-06 6.08085816D-07 2.67465547D-07 8.30413663D-08
4982738.7000000 2.39102754D-05 -7.74353509D-06 3.42108816D-06 1.50590908D-06 4.67719146D-07
1351299.3000000 1.10870289D-04 -3.59162921D-05 1.58682869D-05 6.97918752D-06 2.16679158D-06
410547.2900000 4.48930889D-04 -1.45486149D-04 6.42817261D-05 2.82995516D-05 8.79004662D-06
138227.7600000 1.59551288D-03 -5.17894619D-04 2.28876305D-04 1.00653969D-04 3.12474269D-05
50979.2140000 5.05674846D-03 -1.64725168D-03 7.28354340D-04 3.20772672D-04 9.96478816D-05
20348.6760000 1.44345590D-02 -4.74533273D-03 2.10088383D-03 9.23973089D-04 2.86819494D-04
8686.3120000 3.72624491D-02 -1.24915619D-02 5.54572323D-03 2.44538882D-03 7.59922897D-04
3920.3398000 8.61608626D-02 -3.01187966D-02 1.34508226D-02 5.92316965D-03 1.83881635D-03
1851.0398000 1.72827005D-01 -6.55811379D-02 2.96367813D-02 1.31255525D-02 4.08303695D-03
905.7813800 2.79910543D-01 -1.24436293D-01 5.75674185D-02 2.55074246D-02 7.92522488D-03
455.6379400 3.16417200D-01 -1.85034334D-01 8.94268634D-02 4.02501077D-02 1.25664673D-02
234.0217600 1.91761758D-01 -1.52793185D-01 7.94221075D-02 3.57842848D-02 1.11265532D-02
122.0502600 3.99832042D-02 1.13835250D-01 -6.96137408D-02 -3.17355211D-02 -9.84130588D-03
64.3545400 1.90369436D-03 4.99768671D-01 -3.98010164D-01 -2.00773752D-01 -6.41254929D-02
34.1924280 -1.38064284D-04 4.52405624D-01 -5.08604630D-01 -2.68311047D-01 -8.58543187D-02
18.2604920 1.76564488D-04 1.17523254D-01 5.73454371D-02 2.19490040D-02 5.08192503D-03
9.7846953 -2.40481301D-04 7.56992313D-03 7.65295576D-01 6.97296621D-01 2.53194441D-01
5.2539923 1.61640515D-04 -3.03128209D-04 4.54410551D-01 5.89790267D-01 2.16076371D-01
2.8246961 -1.20095054D-04 4.12716522D-04 4.79220998D-02 -4.02622954D-01 -1.83483916D-01
1.5196986 9.27931276D-05 -5.89830362D-04 9.56720162D-03 -7.60902570D-01 -4.22064689D-01
0.81790300 -6.43350466D-05 3.66424143D-04 -3.29019918D-03 -3.30866233D-01 -3.53763841D-01
0.44027269 4.38854686D-05 -2.68462008D-04 2.70013592D-03 -1.59497554D-02 1.12033808D-01
0.23701377 -2.77197946D-05 1.73999327D-04 -1.71782379D-03 -8.59633034D-03 4.74055374D-01
0.12759592 1.51962436D-05 -9.54245891D-05 9.25510779D-04 3.94130562D-03 5.05396756D-01
0.68691524E-01 -6.40262993D-06 4.07871412D-05 -3.99971051D-04 -1.90408902D-03 1.99031195D-01
0.36980271E-01 1.49574413D-06 -9.52326869D-06 9.29670019D-05 4.31466693D-04 1.80498921D-02
Sb P
138227.7600000 1.08056917D-05 -4.95548996D-06 2.09739981D-06 -5.42093316D-07
50979.2140000 4.08796551D-05 -1.88955197D-05 7.98919957D-06 -2.06268105D-06
20348.6760000 2.04356863D-04 -9.37894686D-05 3.97076903D-05 -1.02638233D-05
8686.3120000 8.16882466D-04 -3.78056400D-04 1.59962614D-04 -4.13115934D-05
3920.3398000 3.01637371D-03 -1.39369089D-03 5.90613583D-04 -1.52669036D-04
1851.0398000 1.00537872D-02 -4.70391146D-03 1.99506113D-03 -5.15481137D-04
905.7813800 3.01968284D-02 -1.42841872D-02 6.07955786D-03 -1.57245089D-03
455.6379400 8.04230588D-02 -3.92838668D-02 1.68043652D-02 -4.34785963D-03
234.0217600 1.78642270D-01 -9.08540042D-02 3.92206447D-02 -1.01663973D-02
122.0502600 3.05245263D-01 -1.65738676D-01 7.24964705D-02 -1.88218920D-02
64.3545400 3.39660190D-01 -1.85977067D-01 8.16082603D-02 -2.12101481D-02
34.1924280 1.90198706D-01 -1.81089768D-03 -1.31723673D-02 4.03916895D-03
18.2604920 3.95136312D-02 3.56196416D-01 -2.14613037D-01 5.84921248D-02
9.7846953 2.36172649D-03 5.04106053D-01 -3.53875238D-01 9.92912761D-02
5.2539923 2.18239863D-05 2.21737177D-01 -3.61467423D-02 4.58306930D-04
2.8246961 -3.41239088D-05 2.88671369D-02 4.30392564D-01 -1.47680296D-01
1.5196986 -9.95627552D-05 2.33165593D-03 4.96694338D-01 -1.86946213D-01
0.81790300 3.04300706D-05 2.31075943D-04 2.20706677D-01 -9.69263832D-02
0.44027269 -3.18262260D-05 5.88999624D-05 2.93146768D-02 1.33180589D-01
0.23701377 1.99063403D-05 -2.56804151D-05 4.30598487D-03 3.49086688D-01
0.12759592 -1.12415770D-05 3.86032464D-06 -7.35993528D-04 4.06355625D-01
0.68691524E-01 5.21044459D-06 -2.71093491D-06 4.91045665D-04 2.34144211D-01
0.36980271E-01 -1.32841439D-06 5.91821601D-07 -1.42496355D-04 5.60663773D-02
Sb D
8686.3120000 1.05673332D-05 4.03196812D-06
3920.3398000 4.28002814D-05 1.68248918D-05
1851.0398000 2.24810017D-04 8.61705547D-05
905.7813800 1.01391359D-03 3.95874841D-04
455.6379400 4.11850760D-03 1.59611164D-03
234.0217600 1.52404281D-02 5.98034551D-03
122.0502600 4.71938481D-02 1.85792957D-02
64.3545400 1.22835202D-01 4.93373080D-02
34.1924280 2.41541292D-01 9.68206131D-02
18.2604920 3.40613251D-01 1.31863213D-01
9.7846953 3.03874541D-01 8.56297897D-02
5.2539923 1.31452129D-01 -1.16543774D-01
2.8246961 2.36983740D-02 -3.23006601D-01
1.5196986 1.33297229D-03 -3.69923840D-01
0.81790300 2.04133494D-04 -2.60289614D-01
0.44027269 -7.13181946D-05 -9.75577926D-02
0.23701377 6.91650636D-06 -2.54259165D-02
end
basis "Te_WTBS" SPHERICAL
Te S
0.10493087E+09 7.74828211D-07 -2.51273255D-07 1.11483253D-07 4.96874206D-08 1.62346882D-08
22197493.0000000 4.09192906D-06 -1.32708750D-06 5.88764893D-07 2.62239004D-07 8.56524717D-08
5344251.0000000 2.29491159D-05 -7.44261043D-06 3.30215174D-06 1.47196873D-06 4.80984879D-07
1452686.7000000 1.06213708D-04 -3.44542707D-05 1.52860566D-05 6.80804406D-06 2.22355751D-06
441685.4800000 4.30162866D-04 -1.39595802D-04 6.19424142D-05 2.76151751D-05 9.02421853D-06
148657.1000000 1.53097277D-03 -4.97581112D-04 2.20814559D-04 9.83350614D-05 3.21144343D-05
54767.0200000 4.86285801D-03 -1.58603263D-03 7.04279289D-04 3.14099936D-04 1.02658855D-04
21830.6040000 1.39165303D-02 -4.57911828D-03 2.03559112D-03 9.06553672D-04 2.96033940D-04
9306.4962000 3.60275257D-02 -1.20829695D-02 5.38690644D-03 2.40545529D-03 7.86488066D-04
4195.9579000 8.35924972D-02 -2.91990927D-02 1.30902943D-02 5.83693472D-03 1.90612552D-03
1980.1464000 1.68539969D-01 -6.37826943D-02 2.89361375D-02 1.29774341D-02 4.24776522D-03
969.0440600 2.75483197D-01 -1.21627676D-01 5.64344298D-02 2.53170189D-02 8.27393030D-03
487.8194900 3.17212066D-01 -1.83209466D-01 8.87798655D-02 4.04603069D-02 1.32946676D-02
250.8921800 1.99306676D-01 -1.58133891D-01 8.21956819D-02 3.74924037D-02 1.22580516D-02
131.1019000 4.45870405D-02 9.47282816D-02 -5.77061967D-02 -2.64213410D-02 -8.57203865D-03
69.2950340 2.17895190D-03 4.84661641D-01 -3.82367992D-01 -1.95118233D-01 -6.56566759D-02
36.9215930 -5.30871128D-05 4.67321876D-01 -5.19782579D-01 -2.77271871D-01 -9.33166831D-02
19.7800580 1.27360263D-04 1.32073797D-01 9.77632963D-03 -7.56764010D-03 -5.25391379D-03
10.6348060 -2.07365679D-04 8.89849029D-03 7.51329253D-01 6.82349057D-01 2.61533192D-01
5.7307581 1.35780396D-04 -9.69351917D-05 4.88469236D-01 6.39404492D-01 2.48028913D-01
3.0923192 -1.02002297D-04 2.93397123D-04 5.71437620D-02 -3.63952914D-01 -1.74011512D-01
1.6699042 8.04428812D-05 -5.23617340D-04 1.09072649D-02 -7.84686640D-01 -4.66163079D-01
0.90214456 -5.56496596D-05 3.15446774D-04 -3.94108115D-03 -3.47884649D-01 -3.91245610D-01
0.48746838 3.80455760D-05 -2.34062239D-04 3.18535038D-03 -1.69578760D-02 1.48180417D-01
0.26342291 -2.40878098D-05 1.53809354D-04 -2.06645724D-03 -9.23371090D-03 5.13199489D-01
0.14235542 1.31670211D-05 -8.36818169D-05 1.10963626D-03 4.02544650D-03 4.94835438D-01
0.76930448E-01 -5.53828392D-06 3.59336475D-05 -4.80964501D-04 -2.00705729D-03 1.71605877D-01
0.41574137E-01 1.28745274D-06 -8.33490058D-06 1.11270230D-04 4.44574384D-04 1.44122572D-02
Te P
148657.1000000 1.02136477D-05 -4.71025662D-06 2.02673011D-06 -5.62392635D-07
54767.0200000 3.87750364D-05 -1.80082956D-05 7.73355430D-06 -2.14205324D-06
21830.6040000 1.94291959D-04 -8.96734994D-05 3.85976343D-05 -1.07118235D-05
9306.4962000 7.78712022D-04 -3.62145349D-04 1.55661474D-04 -4.31342466D-05
4195.9579000 2.88203686D-03 -1.33883297D-03 5.76747275D-04 -1.60052529D-04
1980.1464000 9.62281835D-03 -4.52355096D-03 1.94916410D-03 -5.40424333D-04
969.0440600 2.89610892D-02 -1.37663249D-02 5.95544121D-03 -1.65362529D-03
487.8194900 7.73555805D-02 -3.79326824D-02 1.64850043D-02 -4.57737315D-03
250.8921800 1.72955745D-01 -8.82947049D-02 3.87413167D-02 -1.07817171D-02
131.1019000 2.99119803D-01 -1.62857288D-01 7.23645804D-02 -2.01655704D-02
69.2950340 3.41249877D-01 -1.89097091D-01 8.45707247D-02 -2.36171114D-02
36.9215930 1.99656126D-01 -1.72355080D-02 -5.45649059D-03 2.19641013D-03
19.7800580 4.44495296D-02 3.38613825D-01 -2.07864754D-01 6.09494545D-02
10.6348060 2.77337265D-03 5.08988023D-01 -3.62918572D-01 1.09867828D-01
5.7307581 5.85489742D-05 2.38196860D-01 -6.09914154D-02 7.97666524D-03
3.0923192 -5.45179628D-05 3.29943976D-02 4.23576217D-01 -1.57795549D-01
1.6699042 -9.40557083D-05 2.81234024D-03 5.10458334D-01 -2.13178383D-01
0.90214456 2.46332872D-05 4.44408488D-05 2.25429475D-01 -1.00728360D-01
0.48746838 -2.80028559D-05 1.90055084D-04 2.90750768D-02 1.69086231D-01
0.26342291 1.79668546D-05 -1.26665100D-04 4.60635284D-03 3.62491804D-01
0.14235542 -9.83027111D-06 5.37633918D-05 -4.85233014D-04 3.87693856D-01
0.76930448E-01 4.75881211D-06 -3.07658263D-05 6.80252965D-04 2.18195642D-01
0.41574137E-01 -1.15234420D-06 6.39135751D-06 -1.01838541D-04 5.62885706D-02
Te D
9306.4962000 1.00392682D-05 3.96283252D-06
4195.9579000 4.08408395D-05 1.65772491D-05
1980.1464000 2.14664991D-04 8.51080158D-05
969.0440600 9.69087748D-04 3.90950508D-04
487.8194900 3.93548055D-03 1.57693591D-03
250.8921800 1.45878238D-02 5.91653072D-03
131.1019000 4.53370613D-02 1.84530587D-02
69.2950340 1.18710258D-01 4.92914459D-02
36.9215930 2.36146548D-01 9.80394425D-02
19.7800580 3.38120731D-01 1.35829390D-01
10.6348060 3.08427501D-01 9.25336975D-02
5.7307581 1.37788815D-01 -1.12381704D-01
3.0923192 2.57189123D-02 -3.28128744D-01
1.6699042 1.49562825D-03 -3.78445086D-01
0.90214456 1.76056534D-04 -2.56106268D-01
0.48746838 -6.62539888D-05 -8.87741252D-02
0.26342291 2.16024941D-07 -2.14170959D-02
end
basis "I_WTBS" SPHERICAL
I S
0.10906689E+09 7.69868740D-07 -2.49998750D-07 1.11369089D-07 5.02328419D-08 1.70882054D-08
23490798.0000000 3.94996145D-06 -1.28273867D-06 5.71384312D-07 2.57554041D-07 8.75793536D-08
5726264.3000000 2.19324707D-05 -7.12242462D-06 3.17297446D-06 1.43138036D-06 4.86971942D-07
1568306.9000000 1.00797565D-04 -3.27402639D-05 1.45841303D-05 6.57346542D-06 2.23516941D-06
478497.3200000 4.07671971D-04 -1.32471046D-04 5.90207262D-05 2.66285643D-05 9.05997665D-06
161092.9700000 1.45413498D-03 -4.73189581D-04 2.10832447D-04 9.50187378D-05 3.23064544D-05
59231.1270000 4.64087428D-03 -1.51534060D-03 6.75623794D-04 3.04932152D-04 1.03765282D-04
23530.8440000 1.33634712D-02 -4.40066252D-03 1.96397663D-03 8.85189224D-04 3.00932178D-04
9991.8892000 3.48313850D-02 -1.16854518D-02 5.23043422D-03 2.36349698D-03 8.04594006D-04
4487.6664000 8.13849827D-02 -2.84076083D-02 1.27830580D-02 5.76860650D-03 1.96117309D-03
2110.9230000 1.65307468D-01 -6.24175037D-02 2.84218779D-02 1.28984154D-02 4.39597450D-03
1030.6417000 2.72631422D-01 -1.19742046D-01 5.57331726D-02 2.53036272D-02 8.60896194D-03
518.1956500 3.18261130D-01 -1.82184180D-01 8.85400871D-02 4.08259019D-02 1.39702520D-02
266.4983600 2.04873991D-01 -1.61907979D-01 8.42776218D-02 3.89216838D-02 1.32461366D-02
139.4022900 4.80113684D-02 8.17487640D-02 -4.97748609D-02 -2.29381756D-02 -7.70810360D-03
73.8324560 2.43071185D-03 4.73005655D-01 -3.71404259D-01 -1.91678740D-01 -6.72394762D-02
39.4525690 -3.96555960D-06 4.76703754D-01 -5.26636976D-01 -2.84328570D-01 -9.96461434D-02
21.2112860 1.01529499D-04 1.43407206D-01 -2.52445395D-02 -2.94544676D-02 -1.37000494D-02
11.4509230 -1.91207692D-04 1.01520130D-02 7.37378912D-01 6.70874149D-01 2.68704070D-01
6.1981301 1.23175454D-04 6.30125219D-05 5.14294695D-01 6.78255590D-01 2.75214449D-01
3.3603620 -9.35444951D-05 1.95511486D-04 6.62931508D-02 -3.29387623D-01 -1.62886670D-01
1.8235681 7.50122118D-05 -4.70014412D-04 1.18036409D-02 -8.04802019D-01 -5.06665643D-01
0.99010492 -5.17932663D-05 2.73098868D-04 -4.25584010D-03 -3.62469552D-01 -4.22355677D-01
0.53771464 3.54231686D-05 -2.04893650D-04 3.42569582D-03 -1.86913629D-02 1.77764796D-01
0.29205999 -2.24716105D-05 1.37122775D-04 -2.26074659D-03 -9.69731729D-03 5.38112916D-01
0.15863939 1.22372566D-05 -7.37419850D-05 1.20498632D-03 3.96259958D-03 4.86722300D-01
0.86169914E-01 -5.13724512D-06 3.18439846D-05 -5.23638261D-04 -2.04583298D-03 1.55336505D-01
0.46805988E-01 1.18791971D-06 -7.32450524D-06 1.20354020D-04 4.43185389D-04 1.25928140D-02
I P
161092.9700000 9.51131172D-06 -4.40954283D-06 1.92636607D-06 -5.67746930D-07
59231.1270000 3.63823147D-05 -1.69763244D-05 7.40039041D-06 -2.17590822D-06
23530.8440000 1.83391076D-04 -8.50931112D-05 3.71861781D-05 -1.09613150D-05
9991.8892000 7.41195304D-04 -3.46322941D-04 1.51113240D-04 -4.44559287D-05
4487.6664000 2.76312616D-03 -1.29020341D-03 5.64276584D-04 -1.66309879D-04
2110.9230000 9.28324973D-03 -4.38397091D-03 1.91763152D-03 -5.64506451D-04
1030.6417000 2.80798241D-02 -1.34110654D-02 5.89017272D-03 -1.73698935D-03
518.1956500 7.53052244D-02 -3.70784834D-02 1.63579895D-02 -4.82292931D-03
266.4983600 1.69223277D-01 -8.67489820D-02 3.86462765D-02 -1.14239006D-02
139.4022900 2.94879422D-01 -1.61115872D-01 7.26825746D-02 -2.15097068D-02
73.8324560 3.41748622D-01 -1.91102170D-01 8.69181747D-02 -2.57963304D-02
39.4525690 2.06040970D-01 -2.78503357D-02 5.59560500D-06 7.31437843D-04
21.2112860 4.82929732D-02 3.25178988D-01 -2.03498471D-01 6.35121163D-02
11.4509230 3.13577760D-03 5.11016416D-01 -3.70051067D-01 1.19504057D-01
6.1981301 9.38243923D-05 2.50742414D-01 -8.05325659D-02 1.47699643D-02
3.3603620 -7.74275394D-05 3.68718932D-02 4.17384834D-01 -1.66833391D-01
1.8235681 -8.49949724D-05 3.14440190D-03 5.21790557D-01 -2.37735089D-01
0.99010492 1.64304727D-05 -3.98428637D-05 2.28865242D-01 -1.03442939D-01
0.53771464 -2.23787732D-05 2.46705434D-04 2.93879616D-02 1.96253518D-01
0.29205999 1.49340475D-05 -1.80787762D-04 4.88698265D-03 3.75604231D-01
0.15863939 -7.68622691D-06 7.41442096D-05 -1.39120839D-04 3.77192346D-01
0.86169914E-01 4.02750850D-06 -4.63260689D-05 8.18779806D-04 2.02526836D-01
0.46805988E-01 -8.94775692D-07 8.70064442D-06 -5.50279892D-05 5.12190116D-02
I D
9991.8892000 9.47693402D-06 3.85230643D-06
4487.6664000 3.91288158D-05 1.63538693D-05
2110.9230000 2.06769104D-04 8.44328715D-05
1030.6417000 9.38527299D-04 3.89906612D-04
518.1956500 3.82315549D-03 1.57777167D-03
266.4983600 1.42007902D-02 5.93236502D-03
139.4022900 4.42393577D-02 1.85480219D-02
73.8324560 1.16135738D-01 4.96828169D-02
39.4525690 2.32429232D-01 9.95263897D-02
21.2112860 3.35854700D-01 1.39380163D-01
11.4509230 3.10832708D-01 9.76775263D-02
6.1981301 1.42196957D-01 -1.09714967D-01
3.3603620 2.73756016D-02 -3.32637178D-01
1.8235681 1.61510666D-03 -3.84847457D-01
0.99010492 1.63150966D-04 -2.51243921D-01
0.53771464 -6.94359311D-05 -8.17530426D-02
0.29205999 -4.06731541D-06 -1.89451895D-02
end
basis "Xe_WTBS" SPHERICAL
Xe S
0.11588472E+09 7.48027749D-07 -2.43221058D-07 1.08773258D-07 4.96200112D-08 1.74493293D-08
24946026.0000000 3.84191253D-06 -1.24923947D-06 5.58614569D-07 2.54661193D-07 8.95134638D-08
6076630.3000000 2.13529597D-05 -6.94324267D-06 3.10526842D-06 1.41676995D-06 4.98271500D-07
1662917.7000000 9.82449661D-05 -3.19516068D-05 1.42878063D-05 6.51313240D-06 2.28926571D-06
506958.5800000 3.97753037D-04 -1.29414796D-04 5.78852491D-05 2.64133080D-05 9.29016222D-06
170557.7400000 1.41991966D-03 -4.62623626D-04 2.06918296D-04 9.43150329D-05 3.31471720D-05
62680.8430000 4.53416380D-03 -1.48229119D-03 6.63483791D-04 3.02859091D-04 1.06541262D-04
24896.2140000 1.30598492D-02 -4.30502384D-03 1.92861147D-03 8.79129997D-04 3.08931380D-04
10573.0250000 3.40476948D-02 -1.14310273D-02 5.13650337D-03 2.34745836D-03 8.26157468D-04
4751.0204000 7.96051861D-02 -2.77846578D-02 1.25484629D-02 5.72702173D-03 2.01249692D-03
2236.7438000 1.62038508D-01 -6.10941291D-02 2.79219036D-02 1.28156112D-02 4.51577710D-03
1093.4203000 2.68756835D-01 -1.17491999D-01 5.48508502D-02 2.51842181D-02 8.85588337D-03
550.6239900 3.18015567D-01 -1.80355763D-01 8.78894074D-02 4.09827987D-02 1.45020546D-02
283.7055100 2.10629116D-01 -1.65476407D-01 8.62021480D-02 4.02623949D-02 1.41586060D-02
148.7188400 5.22332464D-02 6.65836187D-02 -4.04596853D-02 -1.86561797D-02 -6.41949696D-03
78.9510080 2.77267186D-03 4.58665116D-01 -3.57673875D-01 -1.86526035D-01 -6.77298684D-02
42.2934000 7.43445941D-05 4.87436149D-01 -5.33329185D-01 -2.90969102D-01 -1.05391902D-01
22.7985360 5.25039608D-05 1.57010331D-01 -6.44088465D-02 -5.43100543D-02 -2.38119782D-02
12.3413940 -1.55749121D-04 1.17754523D-02 7.21020050D-01 6.55776316D-01 2.72356619D-01
6.6988049 9.49908274D-05 2.52138405D-04 5.42129208D-01 7.18816863D-01 3.02730755D-01
3.6421288 -7.33111757D-05 7.60607219D-05 7.61549761D-02 -2.94624265D-01 -1.49079147D-01
1.9821496 6.10114332D-05 -3.98703458D-04 1.28658099D-02 -8.25562091D-01 -5.46451552D-01
1.0793156 -4.18990605D-05 2.16941780D-04 -4.66623336D-03 -3.75035348D-01 -4.48849546D-01
0.58786286 2.87289834D-05 -1.65335013D-04 3.72266799D-03 -2.00405340D-02 2.07142491D-01
0.32022498 -1.83266424D-05 1.14023123D-04 -2.49702450D-03 -1.01405909D-02 5.59091548D-01
0.17444321 9.93404389D-06 -6.02593139D-05 1.32379259D-03 3.88306553D-03 4.78639080D-01
0.95029586E-01 -4.16875632D-06 2.63263319D-05 -5.76590335D-04 -2.07064128D-03 1.40230778D-01
0.51768411E-01 9.59181340D-07 -6.01282954D-06 1.32163096D-04 4.42483696D-04 1.06234491D-02
Xe P
170557.7400000 9.21517025D-06 -4.29429722D-06 1.90443206D-06 5.85350971D-07
62680.8430000 3.52844175D-05 -1.65372340D-05 7.31447795D-06 2.24120514D-06
24896.2140000 1.77897351D-04 -8.29715458D-05 3.68090977D-05 1.13158572D-05
10573.0250000 7.18558349D-04 -3.37276504D-04 1.49333988D-04 4.57891153D-05
4751.0204000 2.67715452D-03 -1.25632106D-03 5.57759038D-04 1.71430249D-04
2236.7438000 8.98545063D-03 -4.26236396D-03 1.89199768D-03 5.80552816D-04
1093.4203000 2.71714940D-02 -1.30371230D-02 5.81218378D-03 1.78736902D-03
550.6239900 7.29280324D-02 -3.60460050D-02 1.61374896D-02 4.95995493D-03
283.7055100 1.64588597D-01 -8.46869620D-02 3.82959860D-02 1.18062289D-02
148.7188400 2.89475420D-01 -1.58612611D-01 7.26083411D-02 2.24034702D-02
78.9510080 3.42234541D-01 -1.93089355D-01 8.93032310D-02 2.76601959D-02
42.2934000 2.13793333D-01 -4.01109429D-02 6.52248054D-03 1.23758034D-03
22.7985360 5.29963641D-02 3.09922958D-01 -1.97637241D-01 -6.44628605D-02
12.3413940 3.61408847D-03 5.13513445D-01 -3.77326811D-01 -1.27660670D-01
6.6988049 1.29712950D-04 2.64658258D-01 -1.01623800D-01 -2.26234345D-02
3.6421288 -9.84174046D-05 4.09827902D-02 4.12208757D-01 1.73817204D-01
1.9821496 -7.61704311D-05 3.53794537D-03 5.34194502D-01 2.60283921D-01
1.0793156 9.06865521D-06 -1.80840742D-04 2.31715705D-01 1.04316694D-01
0.58786286 -1.75066021D-05 3.48109554D-04 2.89508100D-02 -2.21005684D-01
0.32022498 1.13091661D-05 -2.39915909D-04 4.28110338D-03 -3.89830016D-01
0.17444321 -6.44013880D-06 1.26111416D-04 -6.53304957D-04 -3.69134394D-01
0.95029586E-01 2.95064346D-06 -5.85366435D-05 5.03760647D-04 -1.86109423D-01
0.51768411E-01 -7.60513624D-07 1.49937737D-05 -1.22804290D-04 -4.29508750D-02
Xe D
10573.0250000 9.21524119D-06 3.84696092D-06
4751.0204000 3.79584856D-05 1.62848229D-05
2236.7438000 2.00388350D-04 8.40253462D-05
1093.4203000 9.07612651D-04 3.87121924D-04
550.6239900 3.69002508D-03 1.56362387D-03
283.7055100 1.37037835D-02 5.87823248D-03
148.7188400 4.27878352D-02 1.84215063D-02
78.9510080 1.12839623D-01 4.95730066D-02
42.2934000 2.27971756D-01 1.00381823D-01
22.7985360 3.33619385D-01 1.42632773D-01
12.3413940 3.14302321D-01 1.03470752D-01
6.6988049 1.47425180D-01 -1.06069571D-01
3.6421288 2.91405349D-02 -3.37296438D-01
1.9821496 1.74802069D-03 -3.91482659D-01
1.0793156 1.39760953D-04 -2.46480331D-01
0.58786286 -6.82605197D-05 -7.56933579D-02
0.32022498 -9.28566624D-06 -1.69009563D-02
end
basis "Cs_WTBS" SPHERICAL
Cs S
87417998.0000000 1.14209039D-06 3.71793399D-07 1.66870144D-07 -7.69067239D-08 -2.85822642D-08 6.46952569D-09
17499618.0000000 6.57085086D-06 2.13944816D-06 9.60522421D-07 -4.43092536D-07 -1.64786503D-07 3.73036528D-08
4062112.1000000 3.79432246D-05 1.23525102D-05 5.54381010D-06 -2.55448882D-06 -9.49225737D-07 2.14848877D-07
1081315.5000000 1.78868706D-04 5.82583252D-05 2.61577609D-05 -1.20683317D-05 -4.48865447D-06 1.01613984D-06
325908.0200000 7.25831358D-04 2.36524078D-04 1.06160525D-04 -4.89086449D-05 -1.81714808D-05 4.11284764D-06
109674.0600000 2.56415586D-03 8.37625165D-04 3.76280172D-04 -1.73667449D-04 -6.46077867D-05 1.46264697D-05
40607.2120000 8.02877943D-03 2.63615033D-03 1.18434353D-03 -5.45547234D-04 -2.02643901D-04 4.58633399D-05
16300.2430000 2.25400049D-02 7.50066653D-03 3.37893499D-03 -1.56119529D-03 -5.81085008D-04 1.31562110D-04
6994.0499000 5.67702716D-02 1.94265153D-02 8.77800341D-03 -4.04587464D-03 -1.50249980D-03 3.40033539D-04
3166.2299000 1.26045014D-01 4.58018597D-02 2.09030111D-02 -9.69286066D-03 -3.61209750D-03 8.17960374D-04
1494.9207000 2.34165179D-01 9.56285934D-02 4.43317025D-02 -2.05219438D-02 -7.62312193D-03 1.72516882D-03
728.9081000 3.25863663D-01 1.66236526D-01 7.99645238D-02 -3.75790901D-02 -1.40585623D-02 3.18538927D-03
364.0590900 2.71515464D-01 1.94540117D-01 9.90575418D-02 -4.65498551D-02 -1.72940339D-02 3.91289039D-03
185.0498400 9.25324796D-02 2.79633686D-02 1.59773747D-02 -8.84361025D-03 -3.59890423D-03 8.26925128D-04
95.2417590 6.24346238D-03 -3.94237557D-01 -2.88732089D-01 1.50615499D-01 5.78886692D-02 -1.31659201D-02
49.4457320 6.89408995D-04 -5.52346069D-01 -5.69985987D-01 3.10424336D-01 1.18555097D-01 -2.69099789D-02
25.8209700 -3.67129616D-04 -2.09166962D-01 -1.77360966D-01 1.24832482D-01 5.35377425D-02 -1.23661526D-02
13.5358350 1.63486149D-04 -1.57419459D-02 7.21289595D-01 -6.47887092D-01 -2.84984724D-01 6.59624729D-02
7.1130915 -1.49818009D-04 -6.52381355D-04 5.91052200D-01 -7.89096319D-01 -3.53204307D-01 8.16028916D-02
3.7435376 1.08254653D-04 2.06934935D-04 6.81365370D-02 3.73534793D-01 1.97045067D-01 -4.57297740D-02
1.9719170 -7.11998358D-05 2.15387864D-04 1.63332773D-02 8.70126621D-01 6.72780784D-01 -1.70460728D-01
1.0392247 5.26126652D-05 -1.07185340D-04 -8.37293303D-03 2.92580116D-01 3.89702521D-01 -1.00901752D-01
0.54782732 -3.75999329D-05 8.96982062D-05 6.41488844D-03 4.06169701D-03 -4.30380977D-01 1.33901597D-01
0.28882433 2.63178599D-05 -7.65270597D-05 -4.79154530D-03 9.42368202D-03 -6.77325639D-01 2.15758560D-01
0.15228219 -1.83664562D-05 5.19200889D-05 3.32078963D-03 -4.95318061D-03 -3.24236799D-01 2.43949298D-01
0.80292431E-01 1.23080887D-05 -3.61837039D-05 -2.26485710D-03 3.58362179D-03 -1.02154779D-02 1.33637067D-01
0.42335399E-01 -7.73697762D-06 2.29192035D-05 1.43142791D-03 -2.24525465D-03 -1.06771953D-02 -2.73509382D-01
0.22322031E-01 4.27615433D-06 -1.27128929D-05 -7.93459973D-04 1.24253145D-03 5.38906846D-03 -6.66578763D-01
0.11769662E-01 -1.82392971D-06 5.44130127D-06 3.39136596D-04 -5.36672329D-04 -2.78774599D-03 -2.98765891D-01
0.62057499E-02 4.35858397D-07 -1.29861761D-06 -8.10276097D-05 1.27918357D-04 6.21101624D-04 -1.24962693D-02
Cs P
109674.0600000 2.13381676D-05 1.00233684D-05 -4.48770532D-06 1.49877952D-06
40607.2120000 7.91836404D-05 3.71252277D-05 -1.67408993D-05 5.61787998D-06
16300.2430000 3.93481577D-04 1.85190083D-04 -8.29053905D-05 2.76813840D-05
6994.0499000 1.54474060D-03 7.27464542D-04 -3.27862252D-04 1.09940699D-04
3166.2299000 5.64467745D-03 2.67833557D-03 -1.20218456D-03 4.01777445D-04
1494.9207000 1.84232866D-02 8.82826906D-03 -3.98956020D-03 1.33795227D-03
728.9081000 5.38872844D-02 2.64424185D-02 -1.19580372D-02 4.00317931D-03
364.0590900 1.34723394D-01 6.86504931D-02 -3.14089598D-02 1.05559530D-02
185.0498400 2.66074859D-01 1.43755479D-01 -6.63572494D-02 2.22990459D-02
95.2417590 3.61174425D-01 2.06364795D-01 -9.71526293D-02 3.28468604D-02
49.4457320 2.60349706D-01 9.23183694D-02 -3.43533229D-02 1.08897891D-02
25.8209700 7.18370529D-02 -2.77050460D-01 1.79693573D-01 -6.39838581D-02
13.5358350 4.99563893D-03 -5.43138367D-01 4.02245688D-01 -1.48838021D-01
7.1130915 6.24719848D-05 -2.87315512D-01 1.18126088D-01 -2.99660836D-02
3.7435376 -4.31709702D-05 -3.75753530D-02 -4.67576922D-01 2.18309767D-01
1.9719170 -1.25610016D-04 -4.23401140D-03 -5.46200958D-01 3.07740325D-01
1.0392247 5.26119171D-05 1.23134821D-03 -1.83500860D-01 4.07662708D-02
0.54782732 -4.54107931D-05 -9.95442060D-04 -1.47679269D-02 -3.54054144D-01
0.28882433 3.15743733D-05 7.06849061D-04 -2.67236719D-03 -4.75057145D-01
0.15228219 -2.02853635D-05 -4.48276312D-04 7.68327235D-04 -2.90253743D-01
0.80292431E-01 1.16679412D-05 2.58199035D-04 -4.72363114D-04 -5.72786168D-02
0.42335399E-01 -5.33107125D-06 -1.18324581D-04 2.32903064D-04 -5.91763179D-03
0.22322031E-01 1.41340349D-06 3.13556360D-05 -5.52757227D-05 -5.02474645D-04
Cs D
6994.0499000 2.64414812D-05 1.15231796D-05
3166.2299000 9.70034664D-05 4.17315135D-05
1494.9207000 5.45451837D-04 2.37902809D-04
728.9081000 2.33539285D-03 1.01369034D-03
364.0590900 9.63751800D-03 4.22628079D-03
185.0498400 3.32532036D-02 1.46436532D-02
95.2417590 9.70026071D-02 4.34995327D-02
49.4457320 2.16650735D-01 9.80528827D-02
25.8209700 3.42936462D-01 1.51416920D-01
13.5358350 3.38900312D-01 1.19022570D-01
7.1130915 1.57192493D-01 -1.14814206D-01
3.7435376 2.70898531D-02 -3.76072694D-01
1.9719170 1.37768507D-03 -4.08736660D-01
1.0392247 -3.96091197D-05 -2.12506490D-01
0.54782732 -3.15296955D-06 -5.08249692D-02
0.28882433 -2.48252182D-05 -5.84427536D-03
0.15228219 2.88457344D-06 -4.04568438D-04
end
basis "Ba_WTBS" SPHERICAL
Ba S
69697296.0000000 1.58207368D-06 5.15666007D-07 2.32286850D-07 -1.08184697D-07 -4.22148981D-08 1.16262283D-08
14083979.0000000 8.94723085D-06 2.91661719D-06 1.31416913D-06 -6.12495910D-07 -2.39138581D-07 6.58709806D-08
3308221.0000000 5.08433270D-05 1.65734233D-05 7.46530759D-06 -3.47629318D-06 -1.35630657D-06 3.73520114D-07
893067.6900000 2.34785944D-04 7.65660972D-05 3.45024664D-05 -1.60825699D-05 -6.27973390D-06 1.72980419D-06
273471.7000000 9.31322861D-04 3.03951484D-04 1.36926914D-04 -6.37527114D-05 -2.48704543D-05 6.84893422D-06
93634.7480000 3.20770475D-03 1.04977926D-03 4.73337162D-04 -2.20714861D-04 -8.62012240D-05 2.37462741D-05
35311.1070000 9.77069428D-03 3.21765715D-03 1.45121744D-03 -6.75633590D-04 -2.63512229D-04 7.25618942D-05
14446.8680000 2.66051588D-02 8.89597082D-03 4.02421325D-03 -1.87862243D-03 -7.34088374D-04 2.02249354D-04
6320.2492000 6.47493278D-02 2.23504440D-02 1.01468703D-02 -4.72796144D-03 -1.84366294D-03 5.07628411D-04
2917.5290000 1.38125715D-01 5.09284616D-02 2.33755329D-02 -1.09554100D-02 -4.28663827D-03 1.18135903D-03
1404.4903000 2.44765202D-01 1.02416831D-01 4.78197996D-02 -2.23925834D-02 -8.73511643D-03 2.40489345D-03
698.0901600 3.21668740D-01 1.69907110D-01 8.25138072D-02 -3.92300571D-02 -1.54161502D-02 4.25223530D-03
355.3321200 2.51286400D-01 1.85886216D-01 9.56914326D-02 -4.55298315D-02 -1.77605160D-02 4.88637765D-03
184.0159500 8.04755072D-02 6.62410879D-03 3.78569578D-03 -2.91319614D-03 -1.45249913D-03 4.24177790D-04
96.4686340 5.40161744D-03 -3.99490520D-01 -2.97837038D-01 1.57462942D-01 6.36339053D-02 -1.76406708D-02
51.0013900 5.11550661D-04 -5.35878270D-01 -5.58023014D-01 3.08293654D-01 1.23813327D-01 -3.41908579D-02
27.1169290 -2.38110231D-04 -2.08747966D-01 -1.85214232D-01 1.30821365D-01 5.89559575D-02 -1.66866421D-02
14.4712440 6.73894822D-05 -1.75523113D-02 6.87728358D-01 -6.19123160D-01 -2.87066427D-01 8.13278784D-02
7.7408083 -8.04079672D-05 -7.66183456D-04 6.12231545D-01 -8.18717410D-01 -3.87291813D-01 1.09143554D-01
4.1465317 5.69627526D-05 2.66919131D-04 8.84932652D-02 2.80116630D-01 1.54536062D-01 -4.29120434D-02
2.2230268 -3.36864119D-05 1.74334432D-04 1.63115613D-02 8.83946282D-01 7.02619507D-01 -2.20851250D-01
1.1923537 2.60903183D-05 -5.88823687D-05 -7.47932624D-03 3.49694574D-01 4.82716528D-01 -1.54211324D-01
0.63969178 -1.87812899D-05 5.49205924D-05 5.94429910D-03 1.07758640D-02 -4.06706608D-01 1.51645774D-01
0.34323202 1.30541780D-05 -5.33701746D-05 -4.53437130D-03 1.08960217D-02 -7.37981675D-01 3.26187057D-01
0.18417376 -9.23649137D-06 3.50949748D-05 3.15489473D-03 -5.81515314D-03 -3.29672731D-01 3.39935708D-01
0.98827288E-01 6.20198709D-06 -2.49136866D-05 -2.16407309D-03 4.22344650D-03 -9.05032477D-03 -6.15647596D-04
0.53030917E-01 -3.89956467D-06 1.57347292D-05 1.36774763D-03 -2.65241551D-03 -1.01290461D-02 -4.17308875D-01
0.28456551E-01 2.14288448D-06 -8.66659713D-06 -7.54299645D-04 1.46949572D-03 5.47482063D-03 -5.93026542D-01
0.15269878E-01 -9.03259837D-07 3.64822800D-06 3.18475455D-04 -6.22769770D-04 -2.36793183D-03 -2.20122653D-01
0.81938670E-02 2.11993824D-07 -8.54211359D-07 -7.47944541D-05 1.46676842D-04 5.66239802D-04 -9.92133030D-03
Ba P
273471.7000000 4.70238006D-06 -2.21330354D-06 1.00956729D-06 3.61875318D-07
93634.7480000 2.17568203D-05 -1.02733576D-05 4.65359612D-06 1.65898634D-06
35311.1070000 1.15080360D-04 -5.42144475D-05 2.47318661D-05 8.86486860D-06
14446.8680000 4.95847883D-04 -2.34491366D-04 1.06399738D-04 3.79721255D-05
6320.2492000 1.92492538D-03 -9.11288757D-04 4.15746060D-04 1.48946781D-04
2917.5290000 6.70685734D-03 -3.20090867D-03 1.45623356D-03 5.20181113D-04
1404.4903000 2.10627974D-02 -1.01624406D-02 4.65179816D-03 1.66713694D-03
698.0901600 5.90432426D-02 -2.92135701D-02 1.33959122D-02 4.79359590D-03
355.3321200 1.41396077D-01 -7.27205128D-02 3.37282753D-02 1.21172571D-02
184.0159500 2.68152017D-01 -1.46280916D-01 6.85091961D-02 2.46147953D-02
96.4686340 3.52025497D-01 -2.02208072D-01 9.64527347D-02 3.48663458D-02
51.0013900 2.50765106D-01 -8.63534431D-02 3.17663449D-02 1.06526173D-02
27.1169290 7.16944319D-02 2.66605459D-01 -1.76109962D-01 -6.72373361D-02
14.4712440 5.40378466D-03 5.31118577D-01 -3.98708838D-01 -1.58365614D-01
7.7408083 1.66047245D-04 2.99926463D-01 -1.45458501D-01 -4.40599931D-02
4.1465317 -1.12682706D-04 4.60011906D-02 4.32073734D-01 2.18701197D-01
2.2230268 -7.98351040D-05 4.51479267D-03 5.60349642D-01 3.38635173D-01
1.1923537 1.37691863D-05 -9.86762368D-04 2.11162167D-01 7.65619591D-02
0.63969178 -1.86549478D-05 8.42801154D-04 2.03917772D-02 -3.59847263D-01
0.34323202 1.28119225D-05 -5.82821967D-04 2.88147455D-03 -5.04141623D-01
0.18417376 -7.41767842D-06 3.31142384D-04 -7.52180445D-04 -2.81677700D-01
0.98827288E-01 3.36108952D-06 -1.49759100D-04 3.28238562D-04 -4.81561463D-02
0.53030917E-01 -9.14037829D-07 4.04857908D-05 -1.38388446D-04 -9.01567941D-03
Ba D
14446.8680000 5.53598388D-06 2.42484618D-06
6320.2492000 2.55474568D-05 1.14568808D-05
2917.5290000 1.36917730D-04 6.02584140D-05
1404.4903000 6.51822209D-04 2.90945911D-04
698.0901600 2.73949587D-03 1.21683970D-03
355.3321200 1.06938861D-02 4.80088166D-03
184.0159500 3.53221666D-02 1.59266389D-02
96.4686340 9.89999209D-02 4.54832051D-02
51.0013900 2.14496278D-01 9.93723995D-02
27.1169290 3.34545702D-01 1.51256879D-01
14.4712440 3.33348227D-01 1.21279827D-01
7.7408083 1.61941770D-01 -1.02707949D-01
4.1465317 3.09900496D-02 -3.64040788D-01
2.2230268 1.72778834D-03 -4.11045135D-01
1.1923537 9.31090223D-06 -2.23280723D-01
0.63969178 -3.19357040D-05 -5.52665477D-02
0.34323202 -1.45564900D-05 -6.76114558D-03
end
basis "La_WTBS" SPHERICAL
La S
72852697.0000000 1.55857254D-06 5.08633880D-07 2.29914658D-07 -1.07632404D-07 -4.19582741D-08 1.13861577D-08
14886793.0000000 8.66782345D-06 2.82903397D-06 1.27916710D-06 -5.99251303D-07 -2.33736755D-07 6.34380981D-08
3519889.8000000 4.90356529D-05 1.60038803D-05 7.23374487D-06 -3.38585791D-06 -1.31973253D-06 3.58121570D-07
952853.3700000 2.26132029D-04 7.38344149D-05 3.33879659D-05 -1.56430535D-05 -6.10205807D-06 1.65618540D-06
291737.1800000 8.99137706D-04 2.93799123D-04 1.32811053D-04 -6.21563778D-05 -2.42242413D-05 6.57325622D-06
99675.3460000 3.11054912D-03 1.01913979D-03 4.61127579D-04 -2.16122696D-04 -8.43229438D-05 2.28876306D-05
37467.8890000 9.52544266D-03 3.14003552D-03 1.42106325D-03 -6.65031831D-04 -2.59130508D-04 7.03109208D-05
15275.4620000 2.60731203D-02 8.72463689D-03 3.96036935D-03 -1.85822712D-03 -7.25374645D-04 1.96909709D-04
6661.7045000 6.37433926D-02 2.20103660D-02 1.00258510D-02 -4.69596779D-03 -1.82948642D-03 4.96362008D-04
3068.0042000 1.36483988D-01 5.03028111D-02 2.31662393D-02 -1.09122432D-02 -4.26529924D-03 1.15816297D-03
1475.1225000 2.42728204D-01 1.01385397D-01 4.74843588D-02 -2.23524297D-02 -8.71159597D-03 2.36343407D-03
733.1904900 3.20801323D-01 1.68742018D-01 8.21960529D-02 -3.92749517D-02 -1.54174979D-02 4.18972560D-03
373.6422900 2.53853290D-01 1.86752098D-01 9.63432363D-02 -4.60911127D-02 -1.79663150D-02 4.87171517D-03
193.9407000 8.37237646D-02 1.43661747D-02 8.37337698D-03 -5.17491012D-03 -2.34011620D-03 6.56767943D-04
102.0003300 5.99440911D-03 -3.86359840D-01 -2.87484098D-01 1.52708620D-01 6.16663757D-02 -1.68400290D-02
54.1421690 5.41520128D-04 -5.38341601D-01 -5.56451350D-01 3.08867220D-01 1.23933200D-01 -3.37305411D-02
28.9198600 -2.52798932D-04 -2.21250795D-01 -2.15041451D-01 1.49650807D-01 6.66860463D-02 -1.85335916D-02
15.5117990 8.18484740D-05 -2.01901593D-02 6.61009102D-01 -5.91952185D-01 -2.73853134D-01 7.63804194D-02
8.3423152 -9.41326807D-05 -9.27896657D-04 6.36644348D-01 -8.44581665D-01 -3.99725244D-01 1.11076340D-01
4.4939518 6.66255807D-05 3.41431129D-04 1.02520739D-01 2.22391598D-01 1.23744558D-01 -3.37338383D-02
2.4232416 -4.06939041D-05 1.13710378D-04 1.73195480D-02 8.82908780D-01 6.81929159D-01 -2.09324700D-01
1.3073949 3.13898354D-05 -3.49855392D-06 -7.51027018D-03 3.87852472D-01 5.19143735D-01 -1.64856642D-01
0.70558012 -2.24964266D-05 1.63099480D-05 6.12879193D-03 1.57258435D-02 -3.42865567D-01 1.27902071D-01
0.38084705 1.56195435D-05 -2.57288204D-05 -4.69473119D-03 1.24446269D-02 -7.31175753D-01 3.02132556D-01
0.20558174 -1.09611307D-05 1.53403028D-05 3.27708095D-03 -6.76165651D-03 -3.80559610D-01 3.45251682D-01
0.11097641 7.28427989D-06 -1.17537463D-05 -2.25517526D-03 4.97337271D-03 -1.98260809D-02 5.23355045D-02
0.59907490E-01 -4.52256568D-06 7.44595721D-06 1.42547036D-03 -3.13137119D-03 -1.10547419D-02 -3.50538166D-01
0.32339466E-01 2.45035359D-06 -4.10859207D-06 -7.84715093D-04 1.73542517D-03 5.93962828D-03 -5.95994325D-01
0.17457612E-01 -1.01824192D-06 1.72221712D-06 3.29962797D-04 -7.33367400D-04 -2.58359836D-03 -2.91406184D-01
0.94240343E-02 2.35817240D-07 -4.00388232D-07 -7.70219040D-05 1.71806376D-04 6.17345641D-04 -2.28557068D-02
La P
291737.1800000 4.48014908D-06 -2.11881758D-06 9.72880998D-07 3.48033630D-07
99675.3460000 2.08684663D-05 -9.89126627D-06 4.50676306D-06 1.60249796D-06
37467.8890000 1.11048162D-04 -5.25650625D-05 2.41372908D-05 8.63425451D-06
15275.4620000 4.81700274D-04 -2.28698921D-04 1.04396095D-04 3.71657160D-05
6661.7045000 1.88021212D-03 -8.94231158D-04 4.10610476D-04 1.46798832D-04
3068.0042000 6.57419999D-03 -3.15007498D-03 1.44183054D-03 5.13800122D-04
1475.1225000 2.06854057D-02 -1.00245316D-02 4.61835074D-03 1.65165394D-03
733.1904900 5.79979345D-02 -2.88052512D-02 1.32895755D-02 4.74425664D-03
373.6422900 1.38957531D-01 -7.17543801D-02 3.34975468D-02 1.20093423D-02
193.9407000 2.64154751D-01 -1.44571802D-01 6.81240553D-02 2.44183807D-02
102.0003300 3.49998161D-01 -2.02135226D-01 9.71187409D-02 3.50438616D-02
54.1421690 2.55148186D-01 -9.37846041D-02 3.60403864D-02 1.21793834D-02
28.9198600 7.63291409D-02 2.51690397D-01 -1.68154088D-01 -6.40679207D-02
15.5117990 6.14618605D-03 5.27963402D-01 -3.98291874D-01 -1.57980777D-01
8.3423152 2.17991524D-04 3.13561008D-01 -1.66488552D-01 -5.31904969D-02
4.4939518 -1.33898680D-04 5.17600937D-02 4.10510077D-01 2.08093762D-01
2.4232416 -6.58683428D-05 5.10117020D-03 5.66107217D-01 3.37176016D-01
1.3073949 8.03077022D-07 -1.03277579D-03 2.29899683D-01 9.95824500D-02
0.70558012 -1.05968734D-05 9.30385605D-04 2.43417218D-02 -3.29979322D-01
0.38084705 7.60600577D-06 -6.39584934D-04 3.56506736D-03 -4.98730997D-01
0.20558174 -4.41176826D-06 3.64046404D-04 -9.34217463D-04 -3.10115067D-01
0.11097641 2.00885588D-06 -1.64665115D-04 4.47702805D-04 -6.10473002D-02
0.59907490E-01 -5.61045972D-07 4.42684147D-05 -1.73439851D-04 -1.12721357D-02
La D
15275.4620000 5.37726616D-06 2.38779862D-06
6661.7045000 2.49730622D-05 1.12920451D-05
3068.0042000 1.34810671D-04 6.01012920D-05
1475.1225000 6.41597836D-04 2.89249755D-04
733.1904900 2.69911686D-03 1.21314788D-03
373.6422900 1.05038501D-02 4.76638511D-03
193.9407000 3.46474576D-02 1.58040583D-02
102.0003300 9.69520257D-02 4.50340830D-02
54.1421690 2.10649507D-01 9.87961786D-02
28.9198600 3.30750633D-01 1.51515075D-01
15.5117990 3.34542058D-01 1.25079215D-01
8.3423152 1.67277669D-01 -9.44003259D-02
4.4939518 3.35441535D-02 -3.57257949D-01
2.4232416 2.10976883D-03 -4.11512393D-01
1.3073949 3.85548273D-05 -2.30786949D-01
0.70558012 -1.10023139D-05 -5.95585043D-02
0.38084705 -1.23917620D-05 -8.15779701D-03
La F
373.6422900 1.57135871D-04
193.9407000 5.17166262D-04
102.0003300 2.50053403D-03
54.1421690 9.43956547D-03
28.9198600 2.83984235D-02
15.5117990 7.04557293D-02
8.3423152 1.45478759D-01
4.4939518 2.22310760D-01
2.4232416 2.67220198D-01
1.3073949 2.62028645D-01
0.70558012 2.06003423D-01
0.38084705 1.40425979D-01
0.20558174 6.49292172D-02
0.11097641 3.08282568D-02
end
basis "Ce_WTBS" SPHERICAL
Ce S
76389852.0000000 1.53487366D-06 5.01504116D-07 2.27442315D-07 -1.06912911D-07 -4.15312808D-08 1.11253682D-08
15595632.0000000 8.54775589D-06 2.79322617D-06 1.26715257D-06 -5.96066355D-07 -2.31676001D-07 6.20697628D-08
3685365.7000000 4.83780570D-05 1.58082700D-05 7.16899019D-06 -3.36934653D-06 -1.30868154D-06 3.50557181D-07
997350.5500000 2.23151042D-04 7.29491687D-05 3.30967112D-05 -1.55704369D-05 -6.05234727D-06 1.62155563D-06
305339.9000000 8.87227470D-04 2.90252657D-04 1.31642321D-04 -6.18626586D-05 -2.40250602D-05 6.43540623D-06
104334.1500000 3.06866560D-03 1.00660042D-03 4.56957850D-04 -2.15050656D-04 -8.36091918D-05 2.24018238D-05
39228.2130000 9.39479050D-03 3.10036842D-03 1.40774780D-03 -6.61506807D-04 -2.56851738D-04 6.87969814D-05
15998.0110000 2.57134025D-02 8.61254026D-03 3.92230960D-03 -1.84795853D-03 -7.18824747D-04 1.92619293D-04
6979.1449000 6.28891182D-02 2.17283667D-02 9.92967514D-03 -4.67000953D-03 -1.81299120D-03 4.85568378D-04
3215.2600000 1.34843774D-01 4.96946982D-02 2.29588740D-02 -1.08592149D-02 -4.22959999D-03 1.13367029D-03
1546.3910000 2.40588702D-01 1.00342783D-01 4.71398700D-02 -2.22813279D-02 -8.65355936D-03 2.31756183D-03
768.8130600 3.20103645D-01 1.67747746D-01 8.19360740D-02 -3.93117936D-02 -1.53771041D-02 4.12476170D-03
391.8787500 2.56514538D-01 1.87828209D-01 9.71481149D-02 -4.66736002D-02 -1.81329611D-02 4.85423318D-03
203.4396000 8.64809328D-02 2.00849877D-02 1.16969260D-02 -6.84305905D-03 -2.98401987D-03 8.19814994D-04
107.0088700 6.39576495D-03 -3.79752438D-01 -2.82647724D-01 1.50788429D-01 6.06794598D-02 -1.63544766D-02
56.8053310 5.75928368D-04 -5.41434292D-01 -5.59389439D-01 3.12005438D-01 1.24815574D-01 -3.35387335D-02
30.3439070 -2.77780568D-04 -2.27090680D-01 -2.26563194D-01 1.57650245D-01 6.97436630D-02 -1.91057950D-02
16.2760490 1.03099111D-04 -2.09594786D-02 6.59266274D-01 -5.94720483D-01 -2.74208378D-01 7.54482531D-02
8.7534092 -1.10904566D-04 -1.01985037D-03 6.42346453D-01 -8.53274942D-01 -4.02798101D-01 1.10502899D-01
4.7153878 7.93496709D-05 4.15729813D-04 1.04028721D-01 2.25512318D-01 1.26013735D-01 -3.40606512D-02
2.5426140 -5.01594975D-05 5.30451982D-05 1.74358643D-02 8.83724411D-01 6.80402052D-01 -2.05530690D-01
1.3717750 3.83344758D-05 4.06443649D-05 -7.56590006D-03 3.87006171D-01 5.12995332D-01 -1.60758460D-01
0.74030957 -2.75380294D-05 -1.63773736D-05 6.18032126D-03 1.61194495D-02 -3.36041038D-01 1.23230118D-01
0.39958371 1.92296390D-05 -1.95257692D-06 -4.72721152D-03 1.22949295D-02 -7.24427422D-01 2.92530616D-01
0.21569072 -1.34852883D-05 -1.36061960D-06 3.30238412D-03 -6.65563294D-03 -3.86764739D-01 3.40439406D-01
0.11643060 8.97971930D-06 -4.85307652D-07 -2.27261600D-03 4.90860302D-03 -2.23743749D-02 6.32262502D-02
0.62850260E-01 -5.58193447D-06 3.77098648D-07 1.43655591D-03 -3.09029932D-03 -1.09847259D-02 -3.32758243D-01
0.33927219E-01 3.02792284D-06 -2.44486686D-07 -7.90856228D-04 1.71308390D-03 5.89175930D-03 -5.91450596D-01
0.18314274E-01 -1.25945374D-06 1.05916582D-07 3.32560674D-04 -7.24025350D-04 -2.56863528D-03 -3.09791776D-01
0.98862405E-02 2.91869550D-07 -2.45314493D-08 -7.76318495D-05 1.69632943D-04 6.14524765D-04 -2.76529673D-02
Ce P
305339.9000000 4.40697153D-06 -2.09276660D-06 9.65755806D-07 3.43599331D-07
104334.1500000 2.05161126D-05 -9.76500404D-06 4.47142104D-06 1.58151409D-06
39228.2130000 1.09144830D-04 -5.18760210D-05 2.39408666D-05 8.51730120D-06
15998.0110000 4.73134986D-04 -2.25567613D-04 1.03480981D-04 3.66437367D-05
6979.1449000 1.84637245D-03 -8.81725018D-04 4.06906332D-04 1.44684609D-04
3215.2600000 6.45555849D-03 -3.10590443D-03 1.42872933D-03 5.06413619D-04
1546.3910000 2.03274513D-02 -9.89024409D-03 4.57944348D-03 1.62886901D-03
768.8130600 5.70780810D-02 -2.84578869D-02 1.31953775D-02 4.68549988D-03
391.8787500 1.37183221D-01 -7.11008204D-02 3.33614193D-02 1.18959635D-02
203.4396000 2.62071995D-01 -1.43967660D-01 6.81913334D-02 2.43135408D-02
107.0088700 3.49964833D-01 -2.03058620D-01 9.80980136D-02 3.52074684D-02
56.8053310 2.58062383D-01 -9.76980866D-02 3.83134124D-02 1.29447719D-02
30.3439070 7.82687127D-02 2.48851099D-01 -1.67975043D-01 -6.37401848D-02
16.2760490 6.33763014D-03 5.29813037D-01 -4.02595092D-01 -1.58873323D-01
8.7534092 2.29986219D-04 3.15356311D-01 -1.67208079D-01 -5.30775434D-02
4.7153878 -1.43894419D-04 5.19447325D-02 4.14632330D-01 2.09629466D-01
2.5426140 -5.71007787D-05 5.12667404D-03 5.65395509D-01 3.34658900D-01
1.3717750 -4.24243056D-06 -1.03382423D-03 2.27972320D-01 9.62494721D-02
0.74030957 -6.83136284D-06 9.41614742D-04 2.41103918D-02 -3.26441917D-01
0.39958371 5.23930674D-06 -6.42947765D-04 3.52112684D-03 -4.94534303D-01
0.21569072 -3.05788703D-06 3.66563530D-04 -9.00682381D-04 -3.13382796D-01
0.11643060 1.40516261D-06 -1.65867438D-04 4.40153164D-04 -6.35884879D-02
0.62850260E-01 -4.04074047D-07 4.45433738D-05 -1.69502176D-04 -1.16437916D-02
Ce D
15998.0110000 5.30657521D-06 2.37564905D-06
6979.1449000 2.46366528D-05 1.12495660D-05
3215.2600000 1.32895192D-04 5.97471055D-05
1546.3910000 6.32797825D-04 2.87950631D-04
768.8130600 2.66294475D-03 1.20743908D-03
391.8787500 1.03798961D-02 4.75367727D-03
203.4396000 3.43375013D-02 1.58053658D-02
107.0088700 9.64413225D-02 4.52193356D-02
56.8053310 2.10429184D-01 9.96502773D-02
30.3439070 3.31636213D-01 1.53490448D-01
16.2760490 3.35186280D-01 1.25804096D-01
8.7534092 1.66482964D-01 -9.82868847D-02
4.7153878 3.29910909D-02 -3.61869883D-01
2.5426140 2.10338859D-03 -4.10163546D-01
1.3717750 7.31880320D-05 -2.26467829D-01
0.74030957 7.52793555D-07 -5.75303276D-02
0.39958371 -7.32726447D-06 -7.94677360D-03
Ce F
391.8787500 1.65976690D-04
203.4396000 5.47326999D-04
107.0088700 2.65486217D-03
56.8053310 1.00434854D-02
30.3439070 3.03311412D-02
16.2760490 7.53406682D-02
8.7534092 1.54450000D-01
4.7153878 2.32824075D-01
2.5426140 2.74883470D-01
1.3717750 2.60657470D-01
0.74030957 1.96976857D-01
0.39958371 1.24298330D-01
0.21569072 5.35222324D-02
0.11643060 1.97300274D-02
end
basis "Pr_WTBS" SPHERICAL
Pr S
80038348.0000000 1.51034167D-06 4.94069068D-07 2.24774785D-07 -1.06020976D-07 -4.09968760D-08 -1.08566150D-08
16370891.0000000 8.38778934D-06 2.74418876D-06 1.24882745D-06 -5.89459011D-07 -2.28060886D-07 -6.04017803D-08
3872650.6000000 4.74413008D-05 1.55203675D-05 7.06054427D-06 -3.32974704D-06 -1.28740185D-06 -3.40913941D-07
1048452.2000000 2.18803585D-04 7.16120614D-05 3.25923918D-05 -1.53856978D-05 -5.95319596D-06 -1.57672991D-06
320954.2600000 8.70386565D-04 2.85072271D-04 1.29698729D-04 -6.11582000D-05 -2.36432076D-05 -6.26072783D-06
109623.8200000 3.01299852D-03 9.89455997D-04 4.50587687D-04 -2.12778580D-04 -8.23472954D-05 -2.18110235D-05
41193.4030000 9.23404909D-03 3.05047801D-03 1.38942414D-03 -6.55135276D-04 -2.53219577D-04 -6.70491807D-05
16789.6340000 2.53028766D-02 8.48237250D-03 3.87508253D-03 -1.83194877D-03 -7.09331398D-04 -1.87897011D-04
7320.9909000 6.19712619D-02 2.14213769D-02 9.81939392D-03 -4.63398200D-03 -1.79082856D-03 -4.74156860D-04
3371.7731000 1.33140545D-01 4.90551546D-02 2.27316807D-02 -1.07884294D-02 -4.18272420D-03 -1.10824098D-03
1621.5827000 2.38365646D-01 9.92471124D-02 4.67570603D-02 -2.21761210D-02 -8.57369280D-03 -2.26999474D-03
806.3591000 3.19259181D-01 1.66622597D-01 8.15956281D-02 -3.92804696D-02 -1.52936779D-02 -4.05513996D-03
411.2017900 2.59204882D-01 1.88788950D-01 9.78551068D-02 -4.71800291D-02 -1.82496291D-02 -4.83025126D-03
213.6151900 8.95535388D-02 2.64544918D-02 1.54356865D-02 -8.72074461D-03 -3.70032384D-03 -9.98813338D-04
112.4589100 6.91092853D-03 -3.70989703D-01 -2.75930603D-01 1.47697615D-01 5.91636817D-02 1.57599886D-02
59.7598740 6.09610833D-04 -5.44119670D-01 -5.60536299D-01 3.13765937D-01 1.24980727D-01 3.32035645D-02
31.9589740 -2.99733942D-04 -2.35060811D-01 -2.43245596D-01 1.68574583D-01 7.38636545D-02 1.99677262D-02
17.1637440 1.22955927D-04 -2.24139473D-02 6.49437167D-01 -5.87164383D-01 -2.69277854D-01 -7.31860565D-02
9.2429735 -1.27454109D-04 -1.13086685D-03 6.53260976D-01 -8.65285399D-01 -4.06815429D-01 -1.10340601D-01
4.9859050 9.17749443D-05 4.85063983D-04 1.09474746D-01 2.09234559D-01 1.17593912D-01 3.14803027D-02
2.6922343 -5.94797532D-05 -6.26250344D-06 1.78545770D-02 8.81922402D-01 6.68953059D-01 1.98721592D-01
1.4545539 4.53029091D-05 8.75902472D-05 -7.60127355D-03 3.98941034D-01 5.19683853D-01 1.61280164D-01
0.78610396 -3.26180813D-05 -5.05230269D-05 6.26602913D-03 1.82274839D-02 -3.09225955D-01 -1.12449494D-01
0.42491000 2.28934778D-05 2.29788946D-05 -4.79205319D-03 1.27057157D-02 -7.15486835D-01 -2.79622044D-01
0.22969136 -1.60656240D-05 -1.90446421D-05 3.35233364D-03 -6.90599626D-03 -4.07449465D-01 -3.37648648D-01
0.12416667 1.07173657D-05 1.14298089D-05 -2.30914700D-03 5.12068542D-03 -2.91447719D-02 -8.47456411D-02
0.67122783E-01 -6.66820936D-06 -7.11987528D-06 1.45971857D-03 -3.22619338D-03 -1.10871071D-02 3.02110564D-01
0.36285757E-01 3.61849627D-06 3.86030869D-06 -8.03293976D-04 1.78920857D-03 5.88924976D-03 5.83239641D-01
0.19615650E-01 -1.50477107D-06 -1.61348866D-06 3.37465550D-04 -7.55818279D-04 -2.57798371D-03 3.42529992D-01
0.10603989E-01 3.48455846D-07 3.75666850D-07 -7.86624360D-05 1.76874968D-04 6.17548108D-04 3.78859214D-02
Pr P
320954.2600000 4.29805980D-06 -2.04933467D-06 9.49826557D-07 3.35707579D-07
109623.8200000 2.00316642D-05 -9.57064551D-06 4.39994431D-06 1.54584004D-06
41193.4030000 1.06696687D-04 -5.09178594D-05 2.36005786D-05 8.34091423D-06
16789.6340000 4.63012273D-04 -2.21586952D-04 1.02068201D-04 3.59028285D-05
7320.9909000 1.80887591D-03 -8.67261700D-04 4.01950578D-04 1.41979188D-04
3371.7731000 6.32944298D-03 -3.05676598D-03 1.41189085D-03 4.97117741D-04
1621.5827000 1.99511064D-02 -9.74439200D-03 4.53121134D-03 1.60107178D-03
806.3591000 5.60888818D-02 -2.80637494D-02 1.30662567D-02 4.60883043D-03
411.2017900 1.35155860D-01 -7.02945293D-02 3.31251520D-02 1.17338213D-02
213.6151900 2.59365748D-01 -1.42944042D-01 6.79909906D-02 2.40816393D-02
112.4589100 3.49322242D-01 -2.03601060D-01 9.88294036D-02 3.52391757D-02
59.7598740 2.61464709D-01 -1.02627134D-01 4.11630310D-02 1.38910452D-02
31.9589740 8.11048084D-02 2.42319362D-01 -1.65093829D-01 -6.22767696D-02
17.1637440 6.72899127D-03 5.29971162D-01 -4.04718249D-01 -1.58667775D-01
9.2429735 2.54312329D-04 3.20703558D-01 -1.73877929D-01 -5.55675219D-02
4.9859050 -1.55658741D-04 5.38797140D-02 4.09965879D-01 2.06310241D-01
2.6922343 -4.71592516D-05 5.34666834D-03 5.66135640D-01 3.30953949D-01
1.4545539 -1.14418278D-05 -1.05037211D-03 2.33101701D-01 1.01902523D-01
0.78610396 -1.94895219D-06 9.79111413D-04 2.53680076D-02 -3.13359949D-01
0.42491000 2.11130110D-06 -6.64422915D-04 3.73495765D-03 -4.89065836D-01
0.22969136 -1.26126980D-06 3.79337815D-04 -9.51134760D-04 -3.24930356D-01
0.12416667 6.03981172D-07 -1.71737456D-04 4.79444465D-04 -7.05294404D-02
0.67122783E-01 -1.96590174D-07 4.60156853D-05 -1.79757935D-04 -1.28861041D-02
Pr D
16789.6340000 5.20817965D-06 2.35050607D-06
7320.9909000 2.42003610D-05 1.11290857D-05
3371.7731000 1.30727922D-04 5.92409602D-05
1621.5827000 6.22548159D-04 2.85396180D-04
806.3591000 2.62135839D-03 1.19784957D-03
411.2017900 1.02223087D-02 4.71726044D-03
213.6151900 3.38836214D-02 1.57191256D-02
112.4589100 9.54072979D-02 4.50842455D-02
59.7598740 2.09062081D-01 9.98398338D-02
31.9589740 3.31100194D-01 1.54637218D-01
17.1637440 3.36075417D-01 1.27340276D-01
9.2429735 1.67665933D-01 -9.80067704D-02
4.9859050 3.34413526D-02 -3.62136492D-01
2.6922343 2.23220548D-03 -4.09301020D-01
1.4545539 1.04247471D-04 -2.26713197D-01
0.78610396 1.59725454D-05 -5.79689706D-02
0.42491000 -4.48627411D-06 -8.27510756D-03
Pr F
411.2017900 1.72077124D-04
213.6151900 5.67078976D-04
112.4589100 2.75593325D-03
59.7598740 1.04309883D-02
31.9589740 3.16032331D-02
17.1637440 7.85277007D-02
9.2429735 1.60077754D-01
4.9859050 2.39047285D-01
2.6922343 2.78419612D-01
1.4545539 2.58478660D-01
0.78610396 1.90306409D-01
0.42491000 1.15107225D-01
0.22969136 4.73223084D-02
0.12416667 1.53318485D-02
end
basis "Nd_WTBS" SPHERICAL
Nd S
83873014.0000000 1.48272111D-06 4.85589167D-07 2.21576939D-07 -1.04826836D-07 -4.03449287D-08 -1.05701487D-08
17257363.0000000 8.16075782D-06 2.67297864D-06 1.22008037D-06 -5.77617292D-07 -2.22427951D-07 -5.82814257D-08
4096753.7000000 4.60475121D-05 1.50815968D-05 6.88140354D-06 -3.25502802D-06 -1.25261208D-06 -3.28168806D-07
1110803.4000000 2.12211678D-04 6.95337873D-05 3.17417356D-05 -1.50290081D-05 -5.78779867D-06 -1.51656574D-06
340029.4500000 8.45200873D-04 2.77132008D-04 1.26461508D-04 -5.98114617D-05 -2.30143018D-05 -6.02931698D-06
116011.8000000 2.93264921D-03 9.64097937D-04 4.40358688D-04 -2.08568855D-04 -8.03372444D-05 -2.10514337D-05
43520.5840000 9.01389898D-03 2.98056042D-03 1.36158413D-03 -6.43949299D-04 -2.47733550D-04 -6.48987752D-05
17705.5760000 2.47737052D-02 8.31083554D-03 3.80799463D-03 -1.80557014D-03 -6.95807198D-04 -1.82344447D-04
7707.7005000 6.08542332D-02 2.10399834D-02 9.67211675D-03 -4.57831539D-03 -1.76108241D-03 -4.61327329D-04
3545.6406000 1.31146205D-01 4.82891638D-02 2.24402202D-02 -1.06813313D-02 -4.12149005D-03 -1.08032176D-03
1704.1997000 2.35775165D-01 9.79392208D-02 4.62576174D-02 -2.20056319D-02 -8.46838002D-03 -2.21834372D-03
847.5172700 3.18138302D-01 1.65175624D-01 8.10734054D-02 -3.91396975D-02 -1.51653783D-02 -3.97784408D-03
432.5207100 2.62236870D-01 1.89671692D-01 9.84573911D-02 -4.76192464D-02 -1.83375970D-02 -4.80269233D-03
225.0024000 9.33992677D-02 3.43525111D-02 2.01037578D-02 -1.10565615D-02 -4.58429339D-03 -1.21796344D-03
118.6830500 7.65586204D-03 -3.58262571D-01 -2.65783337D-01 1.42603188D-01 5.68483611D-02 1.49773999D-02
63.2180060 6.46261431D-04 -5.46218179D-01 -5.58709802D-01 3.13461745D-01 1.24278440D-01 3.26704813D-02
33.9013090 -3.19089945D-04 -2.46901604D-01 -2.68541378D-01 1.84409323D-01 7.98665702D-02 2.13146008D-02
18.2619570 1.42555249D-04 -2.51715813D-02 6.25868941D-01 -5.63062085D-01 -2.56480635D-01 -6.88953028D-02
9.8661075 -1.45261634D-04 -1.27056290D-03 6.72360427D-01 -8.83009018D-01 -4.13342173D-01 -1.10944142D-01
5.3399625 1.04939758D-04 5.42408790D-04 1.21749578D-01 1.63473851D-01 9.35831226D-02 2.47601107D-02
2.8933981 -6.94502518D-05 -6.10102385D-05 1.88010442D-02 8.75836679D-01 6.45622563D-01 1.88250879D-01
1.5687454 5.29416279D-05 1.37560524D-04 -7.58246329D-03 4.29385095D-01 5.42790875D-01 1.67157297D-01
0.85083575 -3.82196347D-05 -8.62679793D-05 6.38807903D-03 2.37321680D-02 -2.56445897D-01 -9.38314502D-02
0.46154562 2.69907767D-05 4.92794339D-05 -4.89434973D-03 1.37579638D-02 -7.00138505D-01 -2.61763669D-01
0.25039108 -1.90204926D-05 -3.79271213D-05 3.43218052D-03 -7.52601177D-03 -4.46802462D-01 -3.35025169D-01
0.13584319 1.27696617D-05 2.40788731D-05 -2.36971178D-03 5.63861076D-03 -4.39140792D-02 -1.19215217D-01
0.73699115E-01 -8.00304375D-06 -1.50663692D-05 1.49810544D-03 -3.55703351D-03 -1.12883805D-02 2.52796616D-01
0.39984188E-01 4.37340398D-06 8.18531536D-06 -8.23570245D-04 1.97377817D-03 5.78991893D-03 5.64277411D-01
0.21692752E-01 -1.82814937D-06 -3.40978404D-06 3.45133882D-04 -8.32460089D-04 -2.55226219D-03 3.93725675D-01
0.11769041E-01 4.24310204D-07 7.89354477D-07 -8.01544069D-05 1.94197205D-04 6.12289356D-04 6.03461236D-02
Nd P
340029.4500000 4.13051935D-06 -1.97756393D-06 9.20270589D-07 3.23128403D-07
116011.8000000 1.93155297D-05 -9.25906306D-06 4.27062510D-06 1.49002097D-06
43520.5840000 1.03221785D-04 -4.94613743D-05 2.30173511D-05 8.08125302D-06
17705.5760000 4.49504465D-04 -2.15860829D-04 9.97712974D-05 3.48547070D-05
7707.7005000 1.76152236D-03 -8.47892750D-04 3.94509361D-04 1.38427396D-04
3545.6406000 6.17673760D-03 -2.99321280D-03 1.38735920D-03 4.85151623D-04
1704.1997000 1.95016217D-02 -9.56026416D-03 4.46274745D-03 1.56640430D-03
847.5172700 5.48843102D-02 -2.75464519D-02 1.28702312D-02 4.50877790D-03
432.5207100 1.32545239D-01 -6.91568871D-02 3.27144778D-02 1.15113622D-02
225.0024000 2.55491367D-01 -1.41162087D-01 6.73755433D-02 2.37007870D-02
118.6830500 3.47719121D-01 -2.03549181D-01 9.92396466D-02 3.51555163D-02
63.2180060 2.65873124D-01 -1.09388869D-01 4.50750949D-02 1.52045560D-02
33.9013090 8.55882491D-02 2.29628493D-01 -1.57898535D-01 -5.91707365D-02
18.2619570 7.50084256D-03 5.27264974D-01 -4.03589504D-01 -1.57143348D-01
9.8661075 2.97094754D-04 3.31839223D-01 -1.90076570D-01 -6.22612296D-02
5.3399625 -1.69201521D-04 5.87844046D-02 3.92352710D-01 1.96626399D-01
2.8933981 -3.61668069D-05 5.89714923D-03 5.68943962D-01 3.26458328D-01
1.5687454 -2.14991800D-05 -1.08962479D-03 2.48358313D-01 1.18983239D-01
0.85083575 4.40345397D-06 1.05782668D-03 2.90987795D-02 -2.88067513D-01
0.46154562 -2.02959833D-06 -7.13477704D-04 4.30691855D-03 -4.80246938D-01
0.25039108 1.12361101D-06 4.08014020D-04 -1.08915145D-03 -3.46557814D-01
0.13584319 -4.54661652D-07 -1.84804081D-04 5.74627368D-04 -8.43712437D-02
0.73699115E-01 7.51554838D-08 4.93172725D-05 -2.06720301D-04 -1.56926342D-02
Nd D
17705.5760000 5.05531467D-06 2.30209902D-06
7707.7005000 2.35486115D-05 1.08782055D-05
3545.6406000 1.27807735D-04 5.83999280D-05
1704.1997000 6.08432792D-04 2.80571009D-04
847.5172700 2.56493986D-03 1.18077872D-03
432.5207100 9.99183595D-03 4.64078426D-03
225.0024000 3.31549416D-02 1.54916819D-02
118.6830500 9.34659925D-02 4.44597885D-02
63.2180060 2.05801291D-01 9.90491021D-02
33.9013090 3.28322874D-01 1.54662449D-01
18.2619570 3.37450526D-01 1.30366756D-01
9.8661075 1.72039450D-01 -9.13532045D-02
5.3399625 3.54749368D-02 -3.56525285D-01
2.8933981 2.57282171D-03 -4.09409748D-01
1.5687454 1.32533107D-04 -2.33142634D-01
0.85083575 3.78885307D-05 -6.17059271D-02
0.46154562 -3.11136919D-06 -9.44098271D-03
Nd F
432.5207100 1.75055919D-04
225.0024000 5.73982204D-04
118.6830500 2.79291312D-03
63.2180060 1.05480526D-02
33.9013090 3.20617041D-02
18.2619570 7.96146040D-02
9.8661075 1.61839772D-01
5.3399625 2.40724924D-01
2.8933981 2.78352011D-01
1.5687454 2.56564847D-01
0.85083575 1.87458637D-01
0.46154562 1.12840674D-01
0.25039108 4.63272084D-02
0.13584319 1.51053410D-02
end
basis "Pm_WTBS" SPHERICAL
Pm S
87698351.0000000 1.46055574D-06 4.78863230D-07 2.19131479D-07 -1.03944999D-07 -3.98152779D-08 -1.03265612D-08
18083557.0000000 8.01247105D-06 2.62734096D-06 1.20267661D-06 -5.70886992D-07 -2.18788316D-07 -5.67510719D-08
4298322.4000000 4.51734863D-05 1.48117959D-05 6.77758050D-06 -3.21442799D-06 -1.23110885D-06 -3.19294980D-07
1166063.4000000 2.08136473D-04 6.82743524D-05 3.12558719D-05 -1.48381606D-05 -5.68704796D-06 -1.47517354D-06
356926.5000000 8.29398103D-04 2.72248441D-04 1.24587215D-04 -5.90815394D-05 -2.26254746D-05 -5.86791873D-06
121723.0400000 2.88052110D-03 9.47971626D-04 4.34228114D-04 -2.06209151D-04 -7.90490656D-05 -2.05053985D-05
45633.3560000 8.86419604D-03 2.93394099D-03 1.34409196D-03 -6.37367626D-04 -2.44038765D-04 -6.32890889D-05
18552.1260000 2.43944530D-02 8.19031122D-03 3.76338178D-03 -1.78912238D-03 -6.86169544D-04 -1.78007570D-04
8071.2480000 6.00138625D-02 2.07590537D-02 9.56954111D-03 -4.54182864D-03 -1.73878367D-03 -4.50917720D-04
3711.2577000 1.29596165D-01 4.77091357D-02 2.22311182D-02 -1.06095607D-02 -4.07413494D-03 -1.05713726D-03
1783.4531000 2.33743149D-01 9.69505661D-02 4.59085638D-02 -2.18978258D-02 -8.38721321D-03 -2.17508032D-03
886.9932700 3.17291788D-01 1.64135216D-01 8.07501136D-02 -3.90839585D-02 -1.50702672D-02 -3.91287000D-03
452.8191100 2.64597049D-01 1.90429736D-01 9.90470839D-02 -4.80382482D-02 -1.84149164D-02 -4.77506599D-03
235.6992300 9.63025438D-02 3.99238939D-02 2.33830442D-02 -1.27145312D-02 -5.19797001D-03 -1.36359380D-03
124.4246900 8.20857305D-03 -3.50057120D-01 -2.59570387D-01 1.39618866D-01 5.53866066D-02 1.44421793D-02
66.3412430 6.73643633D-04 -5.47988035D-01 -5.59038593D-01 3.14517596D-01 1.24136629D-01 3.23092786D-02
35.6161130 -3.35300828D-04 -2.54396836D-01 -2.83458307D-01 1.94122829D-01 8.33519817D-02 2.19922362D-02
19.2093350 1.58400752D-04 -2.67828165D-02 6.15337230D-01 -5.54432638D-01 -2.51087222D-01 -6.67160483D-02
10.3915650 -1.58755362D-04 -1.36596478D-03 6.82009718D-01 -8.92646309D-01 -4.15958233D-01 -1.10528910D-01
5.6320715 1.15082353D-04 5.93942420D-04 1.27620624D-01 1.46112644D-01 8.47936565D-02 2.22642367D-02
3.0559745 -7.71413159D-05 -1.08850712D-04 1.92433255D-02 8.72008625D-01 6.32985223D-01 1.81821406D-01
1.6592671 5.87812043D-05 1.75917388D-04 -7.56464880D-03 4.41871628D-01 5.48447965D-01 1.67255435D-01
0.90123566 -4.25688176D-05 -1.13740584D-04 6.43966618D-03 2.66865421D-02 -2.30210218D-01 -8.39858042D-02
0.48959815 3.02339877D-05 6.90503793D-05 -4.93513775D-03 1.40908687D-02 -6.87729569D-01 -2.50258352D-01
0.26599802 -2.13985003D-05 -5.15953820D-05 3.46732496D-03 -7.70324494D-03 -4.65963052D-01 -3.29954918D-01
0.14452159 1.44414701D-05 3.29870525D-05 -2.39769438D-03 5.80555606D-03 -5.36079179D-02 -1.36481564D-01
0.78522265E-01 -9.08975261D-06 -2.04843478D-05 1.51666290D-03 -3.66273554D-03 -1.12461258D-02 2.23758591D-01
0.42663319E-01 4.98026509D-06 1.10440914D-05 -8.33825327D-04 2.03291035D-03 5.58224390D-03 5.48579703D-01
0.23180182E-01 -2.08274084D-06 -4.56364869D-06 3.49202683D-04 -8.56782209D-04 -2.47302674D-03 4.20713611D-01
0.12594447E-01 4.82684915D-07 1.04860829D-06 -8.09957673D-05 1.99599822D-04 5.94313530D-04 7.76293671D-02
Pm P
356926.5000000 4.02955212D-06 -1.93635289D-06 9.04164583D-07 3.15328527D-07
121723.0400000 1.88672983D-05 -9.07544118D-06 4.19904089D-06 1.45515745D-06
45633.3560000 1.00962409D-04 -4.85569788D-05 2.26731597D-05 7.90657906D-06
18552.1260000 4.40250336D-04 -2.12153051D-04 9.83702166D-05 3.41334003D-05
8071.2480000 1.72755437D-03 -8.34555742D-04 3.89608163D-04 1.35783263D-04
3711.2577000 6.06382411D-03 -2.94861672D-03 1.37108080D-03 4.76223499D-04
1783.4531000 1.91673464D-02 -9.42919525D-03 4.41629365D-03 1.53962350D-03
886.9932700 5.40097304D-02 -2.71949132D-02 1.27469882D-02 4.43545596D-03
452.8191100 1.30740530D-01 -6.84319968D-02 3.24806758D-02 1.13519240D-02
235.6992300 2.53024353D-01 -1.40213579D-01 6.71434679D-02 2.34600992D-02
124.4246900 3.46959983D-01 -2.03912588D-01 9.97885419D-02 3.51130258D-02
66.3412430 2.68842326D-01 -1.13718366D-01 4.76139667D-02 1.60133856D-02
35.6161130 8.83136276D-02 2.23437950D-01 -1.54959616D-01 -5.77182909D-02
19.2093350 7.93107229D-03 5.26849027D-01 -4.04812506D-01 -1.56530803D-01
10.3915650 3.20622097D-04 3.36863382D-01 -1.96421740D-01 -6.45601298D-02
5.6320715 -1.78508565D-04 6.08837051D-02 3.86683893D-01 1.92841632D-01
3.0559745 -2.72333483D-05 6.13533256D-03 5.69169883D-01 3.22445873D-01
1.6592671 -2.80670200D-05 -1.09395630D-03 2.54031028D-01 1.24554035D-01
0.90123566 8.86579866D-06 1.08869250D-03 3.07557372D-02 -2.75143497D-01
0.48959815 -4.90600141D-06 -7.30088795D-04 4.53267373D-03 -4.73228477D-01
0.26599802 2.77473955D-06 4.18085854D-04 -1.12635226D-03 -3.56923007D-01
0.14452159 -1.18587712D-06 -1.89403905D-04 6.10004645D-04 -9.27525216D-02
0.78522265E-01 2.62877555D-07 5.04420663D-05 -2.15645276D-04 -1.75195289D-02
Pm D
18552.1260000 4.96233424D-06 2.27463262D-06
8071.2480000 2.31440675D-05 1.07521746D-05
3711.2577000 1.25833226D-04 5.78688381D-05
1783.4531000 5.99217385D-04 2.77974002D-04
886.9932700 2.52815081D-03 1.17117644D-03
452.8191100 9.85252539D-03 4.60421884D-03
235.6992300 3.27518369D-02 1.54006717D-02
124.4246900 9.25318795D-02 4.42929527D-02
66.3412430 2.04513091D-01 9.91045339D-02
35.6161130 3.27700967D-01 1.55526283D-01
19.2093350 3.38170856D-01 1.31715873D-01
10.3915650 1.73250595D-01 -9.05880106D-02
5.6320715 3.60084833D-02 -3.56037928D-01
3.0559745 2.71238004D-03 -4.08578600D-01
1.6592671 1.64196761D-04 -2.34086341D-01
0.90123566 5.19153043D-05 -6.25248285D-02
0.48959815 4.45809015D-07 -9.87606124D-03
Pm F
452.8191100 1.78622655D-04
235.6992300 5.85532159D-04
124.4246900 2.85320106D-03
66.3412430 1.07807167D-02
35.6161130 3.28564992D-02
19.2093350 8.16076357D-02
10.3915650 1.64997312D-01
5.6320715 2.43444587D-01
3.0559745 2.78535392D-01
1.6592671 2.54040864D-01
0.90123566 1.83978527D-01
0.48959815 1.10124556D-01
0.26599802 4.51532306D-02
0.14452159 1.47934554D-02
end
basis "Sm_WTBS" SPHERICAL
Sm S
91563325.0000000 1.44177102D-06 4.73217572D-07 2.17137870D-07 -1.03232492D-07 -3.93382265D-08 -1.01083084D-08
18870699.0000000 7.91575182D-06 2.59845119D-06 1.19268543D-06 -5.67427837D-07 -2.16338636D-07 -5.55953960D-08
4483943.3000000 4.46392343D-05 1.46524883D-05 6.72295703D-06 -3.19573691D-06 -1.21763361D-06 -3.12874885D-07
1216216.8000000 2.05700998D-04 6.75487168D-05 3.10077055D-05 -1.47537296D-05 -5.62545693D-06 -1.44566752D-06
372264.8100000 8.19666060D-04 2.69342774D-04 1.23593466D-04 -5.87428553D-05 -2.23797023D-05 -5.75042254D-06
126961.4100000 2.84643516D-03 9.37745834D-04 4.30709512D-04 -2.05002361D-04 -7.81800783D-05 -2.00919017D-05
47602.8980000 8.75863244D-03 2.90189463D-03 1.33302873D-03 -6.33549942D-04 -2.41325968D-04 -6.20060950D-05
19355.7020000 2.41062466D-02 8.10068662D-03 3.73222633D-03 -1.77834188D-03 -6.78505668D-04 -1.74386177D-04
8422.1037000 5.93346793D-02 2.05363762D-02 9.49235366D-03 -4.51536195D-03 -1.71974429D-03 -4.41853276D-04
3873.0847000 1.28295913D-01 4.72333788D-02 2.20668612D-02 -1.05551121D-02 -4.03221486D-03 -1.03654246D-03
1861.3964000 2.32026976D-01 9.61408909D-02 4.56410474D-02 -2.18193440D-02 -8.31420473D-03 -2.13621378D-03
925.8077500 3.16630302D-01 1.63340494D-01 8.05424586D-02 -3.90714925D-02 -1.49868047D-02 -3.85495120D-03
472.6391400 2.66607383D-01 1.91153641D-01 9.96453484D-02 -4.84427188D-02 -1.84768998D-02 -4.74710790D-03
246.0081300 9.86284334D-02 4.41090106D-02 2.58402572D-02 -1.39731958D-02 -5.65177917D-03 -1.46673045D-03
129.8577800 8.62056651D-03 -3.44895676D-01 -2.55939132D-01 1.38006133D-01 5.44590458D-02 1.40662339D-02
69.2311350 6.96807381D-04 -5.49895521D-01 -5.61156264D-01 3.16618705D-01 1.24361956D-01 3.20704684D-02
37.1629050 -3.51725188D-04 -2.58908209D-01 -2.91619793D-01 1.99874903D-01 8.52056222D-02 2.22546146D-02
20.0406650 1.73499854D-04 -2.74558979D-02 6.14632875D-01 -5.56967109D-01 -2.50854542D-01 -6.59965499D-02
10.8395440 -1.70738157D-04 -1.43782349D-03 6.85497335D-01 -8.97253172D-01 -4.15954264D-01 -1.09488139D-01
5.8738649 1.24291725D-04 6.51860093D-04 1.28451943D-01 1.49052037D-01 8.65396412D-02 2.26065404D-02
3.1866043 -8.40711779D-05 -1.59654891D-04 1.92909066D-02 8.70930086D-01 6.27687914D-01 1.78123544D-01
1.7298774 6.38550892D-05 2.12473314D-04 -7.58290167D-03 4.41625116D-01 5.43183664D-01 1.64005946D-01
0.93941350 -4.62373071D-05 -1.40891657D-04 6.46090442D-03 2.71243665D-02 -2.22191095D-01 -8.00608296D-02
0.51024282 3.28486440D-05 8.89112534D-05 -4.94402663D-03 1.40174389D-02 -6.79819516D-01 -2.43336369D-01
0.27716212 -2.32114446D-05 -6.54976622D-05 3.47563430D-03 -7.66270939D-03 -4.71714740D-01 -3.24754153D-01
0.15055888 1.56491085D-05 4.23501268D-05 -2.40336766D-03 5.78660678D-03 -5.80158621D-02 -1.43027524D-01
0.81787051E-01 -9.83845715D-06 -2.63407562D-05 1.52029375D-03 -3.65092980D-03 -1.11095724D-02 2.09543217D-01
0.44428785E-01 5.38566730D-06 1.42319308D-05 -8.35915668D-04 2.02720034D-03 5.41599212D-03 5.39159798D-01
0.24134856E-01 -2.25108960D-06 -5.89006999D-06 3.50137162D-04 -8.54643072D-04 -2.40713319D-03 4.32388114D-01
0.13110674E-01 5.21612968D-07 1.35512085D-06 -8.12303458D-05 1.99162087D-04 5.79556486D-04 8.73294416D-02
Sm P
372264.8100000 3.97117732D-06 -1.91471786D-06 8.96592481D-07 3.10402616D-07
126961.4100000 1.85878748D-05 -8.97233398D-06 4.16304614D-06 1.43236640D-06
47602.8980000 9.94592687D-05 -4.79948337D-05 2.24741397D-05 7.77993633D-06
19355.7020000 4.33566381D-04 -2.09656148D-04 9.74868621D-05 3.35839575D-05
8422.1037000 1.70141590D-03 -8.24688486D-04 3.86092122D-04 1.33577663D-04
3873.0847000 5.97343018D-03 -2.91456250D-03 1.35907995D-03 4.68658744D-04
1861.3964000 1.88979480D-02 -9.32718487D-03 4.38090293D-03 1.51617368D-03
925.8077500 5.33263697D-02 -2.69377006D-02 1.26623918D-02 4.37430410D-03
472.6391400 1.29429419D-01 -6.79552908D-02 3.23471122D-02 1.12230422D-02
246.0081300 2.51482427D-01 -1.39803998D-01 6.71470878D-02 2.32932770D-02
129.8577800 3.46874216D-01 -2.04620816D-01 1.00449592D-01 3.50886726D-02
69.2311350 2.70964604D-01 -1.16538116D-01 4.92792152D-02 1.64933942D-02
37.1629050 8.97983773D-02 2.21768690D-01 -1.54957145D-01 -5.73526829D-02
20.0406650 8.08476251D-03 5.28404026D-01 -4.07879979D-01 -1.56550994D-01
10.8395440 3.31300072D-04 3.37661801D-01 -1.95936361D-01 -6.38163495D-02
5.8738649 -1.86178715D-04 6.08113797D-02 3.89626117D-01 1.93026285D-01
3.1866043 -1.89691181D-05 6.13215979D-03 5.68008375D-01 3.18779608D-01
1.7298774 -3.26562601D-05 -1.08376982D-03 2.52897216D-01 1.22672100D-01
0.93941350 1.23180795D-05 1.09062165D-03 3.06572044D-02 -2.70702029D-01
0.51024282 -7.09276227D-06 -7.27611087D-04 4.51420461D-03 -4.68625678D-01
0.27716212 4.02541119D-06 4.17136422D-04 -1.11314057D-03 -3.60095417D-01
0.15055888 -1.74246999D-06 -1.89022893D-04 6.10062604D-04 -9.65668211D-02
0.81787051E-01 4.07147120D-07 5.03090862D-05 -2.14005583D-04 -1.83373738D-02
Sm D
19355.7020000 4.90501268D-06 2.25908949D-06
8422.1037000 2.28830342D-05 1.06955337D-05
3873.0847000 1.24365151D-04 5.74791097D-05
1861.3964000 5.92697282D-04 2.76515832D-04
925.8077500 2.50215504D-03 1.16525509D-03
472.6391400 9.76673303D-03 4.58974996D-03
246.0081300 3.25495220D-02 1.53900200D-02
129.8577800 9.22524150D-02 4.44141571D-02
69.2311350 2.04577010D-01 9.97264663D-02
37.1629050 3.28649665D-01 1.56977106D-01
20.0406650 3.38553850D-01 1.31912660D-01
10.8395440 1.72261564D-01 -9.39747275D-02
5.8738649 3.54474129D-02 -3.59115632D-01
3.1866043 2.70033846D-03 -4.07176513D-01
1.7298774 1.94707009D-04 -2.31274824D-01
0.93941350 6.01751774D-05 -6.12839929D-02
0.51024282 4.44165517D-06 -9.72577289D-03
Sm F
472.6391400 1.82652238D-04
246.0081300 6.00765616D-04
129.8577800 2.93284295D-03
69.2311350 1.11102602D-02
37.1629050 3.39508340D-02
20.0406650 8.44008474D-02
10.8395440 1.69484156D-01
5.8738649 2.47418663D-01
3.1866043 2.79493335D-01
1.7298774 2.51264324D-01
0.93941350 1.79536341D-01
0.51024282 1.05790474D-01
0.27716212 4.27739252D-02
0.15055888 1.35339022D-02
end
basis "Eu_WTBS" SPHERICAL
Eu S
95573524.0000000 1.42281356D-06 4.67489217D-07 2.15066554D-07 -1.02442979D-07 -3.88199747D-08 -9.89043545D-09
19684999.0000000 7.81909811D-06 2.56944506D-06 1.18242898D-06 -5.63624432D-07 -2.13690459D-07 -5.44481804D-08
4675605.5000000 4.41070762D-05 1.44930993D-05 6.66710452D-06 -3.17523638D-06 -1.20308694D-06 -3.06512531D-07
1267953.8000000 2.03278751D-04 6.68239049D-05 3.07544797D-05 -1.46612475D-05 -5.55902300D-06 -1.41645308D-06
388084.6000000 8.09978346D-04 2.66437648D-04 1.22578089D-04 -5.83713840D-05 -2.21143957D-05 -5.63401886D-06
132366.2500000 2.81242673D-03 9.27496917D-04 4.27104457D-04 -2.03675864D-04 -7.72409546D-05 -1.96817972D-05
49636.4690000 8.65299487D-03 2.86967489D-03 1.32164715D-03 -6.29337202D-04 -2.38387469D-04 -6.07313241D-05
20186.1040000 2.38168884D-02 8.01027436D-03 3.70004768D-03 -1.76639053D-03 -6.70184076D-04 -1.70782326D-04
8784.9681000 5.86503552D-02 2.03109697D-02 9.41219587D-03 -4.48574160D-03 -1.69896450D-03 -4.32812347D-04
4040.5623000 1.26979642D-01 4.67497476D-02 2.18950964D-02 -1.04930364D-02 -3.98608639D-03 -1.01595920D-03
1942.0969000 2.30275010D-01 9.53124117D-02 4.53566149D-02 -2.17244624D-02 -8.23212330D-03 -2.09720447D-03
966.0025000 3.15921369D-01 1.62510215D-01 8.03044969D-02 -3.90298572D-02 -1.48865123D-02 -3.79644242D-03
493.1621100 2.68623044D-01 1.91841488D-01 1.00209286D-01 -4.88136433D-02 -1.85172917D-02 -4.71742521D-03
256.6789400 1.01026876D-01 4.83377846D-02 2.83289927D-02 -1.52474016D-02 -6.10390128D-03 -1.56862917D-03
135.4783900 9.06082451D-03 -3.39550090D-01 -2.52108236D-01 1.36220111D-01 5.34482095D-02 1.36854071D-02
72.2184620 7.19962899D-04 -5.51741411D-01 -5.63034982D-01 3.18443844D-01 1.24416301D-01 3.18140869D-02
38.7603630 -3.67734280D-04 -2.63565187D-01 -3.00021973D-01 2.05684089D-01 8.70122627D-02 2.25153470D-02
20.8983210 1.88475160D-04 -2.81806071D-02 6.13367228D-01 -5.58514981D-01 -2.50023634D-01 -6.51787299D-02
11.3011780 -1.82715405D-04 -1.51271660D-03 6.89223951D-01 -9.01565075D-01 -4.15566537D-01 -1.08438939D-01
6.1227230 1.33511554D-04 7.10060441D-04 1.29489395D-01 1.50574060D-01 8.74550886D-02 2.27341980D-02
3.3208792 -9.10525955D-05 -2.11326742D-04 1.93593493D-02 8.69331021D-01 6.21102229D-01 1.74239990D-01
1.8023626 6.90099769D-05 2.50050312D-04 -7.60028907D-03 4.42307152D-01 5.38714140D-01 1.61177637D-01
0.97855234 -5.00045173D-05 -1.68870892D-04 6.48399111D-03 2.76954853D-02 -2.12753651D-01 -7.58468129D-02
0.53137824 3.55753519D-05 1.09514133D-04 -4.95425104D-03 1.39867069D-02 -6.71624622D-01 -2.36626039D-01
0.28857580 -2.51389555D-05 -8.00364913D-05 3.48464896D-03 -7.65273937D-03 -4.78129167D-01 -3.19858988D-01
0.15672251 1.69616813D-05 5.22267763D-05 -2.40946341D-03 5.79012475D-03 -6.29253892D-02 -1.49445028D-01
0.85115458E-01 -1.06708188D-05 -3.25752240D-05 1.52411638D-03 -3.65348582D-03 -1.09867273D-02 1.95380359D-01
0.46226092E-01 5.84565649D-06 1.76549140D-05 -8.38086650D-04 2.02954847D-03 5.23624887D-03 5.29662252D-01
0.25105351E-01 -2.44519577D-06 -7.32465153D-06 3.51102875D-04 -8.55931610D-04 -2.33549260D-03 4.43170276D-01
0.13634696E-01 5.66995811D-07 1.68836480D-06 -8.14740055D-05 1.99530623D-04 5.63427713D-04 9.77661900D-02
Eu P
388084.6000000 3.91300102D-06 -1.89274258D-06 8.88459130D-07 3.05189611D-07
132366.2500000 1.83086457D-05 -8.86699995D-06 4.12396553D-06 1.40804328D-06
49636.4690000 9.79537231D-05 -4.74204220D-05 2.22592343D-05 7.64551786D-06
20186.1040000 4.26850479D-04 -2.07090030D-04 9.65237746D-05 3.29964533D-05
8784.9681000 1.67508278D-03 -8.14530890D-04 3.82263014D-04 1.31224708D-04
4040.5623000 5.88210275D-03 -2.87931242D-03 1.34586345D-03 4.60526822D-04
1942.0969000 1.86249506D-02 -9.22119247D-03 4.34162662D-03 1.49090801D-03
966.0025000 5.26312931D-02 -2.66679484D-02 1.25658588D-02 4.30750451D-03
493.1621100 1.28087714D-01 -6.74470193D-02 3.21839081D-02 1.10796676D-02
256.6789400 2.49885557D-01 -1.39330968D-01 6.70892958D-02 2.30944764D-02
135.4783900 3.46753873D-01 -2.05273020D-01 1.01042918D-01 3.50217018D-02
72.2184620 2.73142127D-01 -1.19420715D-01 5.09717701D-02 1.69671063D-02
38.7603630 9.13547078D-02 2.19845629D-01 -1.54683184D-01 -5.68533923D-02
20.8983210 8.25405366D-03 5.29835184D-01 -4.10585319D-01 -1.56329026D-01
11.3011780 3.43358893D-04 3.38690714D-01 -1.95781456D-01 -6.32034844D-02
6.1227230 -1.93858290D-04 6.08492708D-02 3.91755752D-01 1.92637945D-01
3.3208792 -1.05511092D-05 6.14529554D-03 5.66861121D-01 3.14809011D-01
1.8023626 -3.74539139D-05 -1.07666850D-03 2.52375206D-01 1.21536468D-01
0.97855234 1.58786004D-05 1.09536072D-03 3.06877657D-02 -2.65510945D-01
0.53137824 -9.35736668D-06 -7.27224451D-04 4.51820038D-03 -4.63894508D-01
0.28857580 5.32093052D-06 4.17341030D-04 -1.11015281D-03 -3.63700893D-01
0.15672251 -2.31955616D-06 -1.89183589D-04 6.14753331D-04 -1.00813294D-01
0.85115458E-01 5.56772095D-07 5.03216065D-05 -2.13811930D-04 -1.92946076D-02
Eu D
20186.1040000 4.84520842D-06 2.24105391D-06
8784.9681000 2.26056486D-05 1.06213147D-05
4040.5623000 1.22816724D-04 5.70146431D-05
1942.0969000 5.85733119D-04 2.74621814D-04
966.0025000 2.47434745D-03 1.15766160D-03
493.1621100 9.67355025D-03 4.56824946D-03
256.6789400 3.23235583D-02 1.53573188D-02
135.4783900 9.19099001D-02 4.44726883D-02
72.2184620 2.04535959D-01 1.00232578D-01
38.7603630 3.29497130D-01 1.58280553D-01
20.8983210 3.38988519D-01 1.32123045D-01
11.3011780 1.71466019D-01 -9.69335099D-02
6.1227230 3.49843704D-02 -3.61645207D-01
3.3208792 2.70175997D-03 -4.05810784D-01
1.8023626 2.22884909D-04 -2.29015742D-01
0.97855234 6.84282448D-05 -6.03512917D-02
0.53137824 7.65408083D-06 -9.62190247D-03
Eu F
493.1621100 1.86080119D-04
256.6789400 6.14074390D-04
135.4783900 3.00379352D-03
72.2184620 1.14090221D-02
38.7603630 3.49642159D-02
20.8983210 8.69982983D-02
11.3011780 1.73638917D-01
6.1227230 2.51077496D-01
3.3208792 2.80388169D-01
1.8023626 2.48742297D-01
0.97855234 1.75380924D-01
0.53137824 1.01550301D-01
0.28857580 4.03480315D-02
0.15672251 1.22015989D-02
end
basis "Gd_WTBS" SPHERICAL
Gd S
99561132.0000000 1.40356110D-06 4.61636829D-07 2.12902578D-07 -1.01628653D-07 -3.83721565D-08 9.68241105D-09
20624281.0000000 7.64608896D-06 2.51516962D-06 1.16034186D-06 -5.54269724D-07 -2.09380125D-07 5.28365356D-08
4915676.1000000 4.30288621D-05 1.41532994D-05 6.52697550D-06 -3.11514421D-06 -1.17605627D-06 2.96748148D-07
1335116.8000000 1.98137975D-04 6.52003149D-05 3.00821427D-05 -1.43710886D-05 -5.42917883D-06 1.37005329D-06
408659.1100000 7.90357275D-04 2.60244488D-04 1.20026169D-04 -5.72787220D-05 -2.16222280D-05 5.45574395D-06
139242.2400000 2.75038778D-03 9.07908324D-04 4.19124590D-04 -2.00291311D-04 -7.56802511D-05 1.90983963D-05
52129.4320000 8.48612971D-03 2.81679301D-03 1.30049309D-03 -6.20599323D-04 -2.34233689D-04 5.91006512D-05
21160.4700000 2.34271742D-02 7.88459256D-03 3.65094617D-03 -1.74658140D-03 -6.60237362D-04 1.66625509D-04
9192.8532000 5.78574911D-02 2.00434924D-02 9.31061609D-03 -4.44696966D-03 -1.67827044D-03 4.23444545D-04
4222.2510000 1.25615755D-01 4.62357207D-02 2.17055384D-02 -1.04235250D-02 -3.94503453D-03 9.95782652D-04
2027.6361000 2.28541635D-01 9.44686773D-02 4.50549312D-02 -2.16273270D-02 -8.16636684D-03 2.06056867D-03
1008.2627000 3.15116922D-01 1.61574864D-01 8.00049122D-02 -3.89611340D-02 -1.48043279D-02 3.73883278D-03
514.9046100 2.70558311D-01 1.92341132D-01 1.00636490D-01 -4.91373977D-02 -1.85777913D-02 4.68810668D-03
268.2371600 1.03752738D-01 5.32995044D-02 3.12794141D-02 -1.67398788D-02 -6.64158139D-03 1.68751949D-03
141.7790100 9.68947863D-03 -3.30751406D-01 -2.45400533D-01 1.32824495D-01 5.19139934D-02 -1.31606384D-02
75.7164020 7.39892667D-04 -5.52103288D-01 -5.61228503D-01 3.18052830D-01 1.23841906D-01 -3.13686117D-02
40.7267440 -3.75409921D-04 -2.71843298D-01 -3.16562949D-01 2.16141329D-01 9.07579481D-02 -2.32288107D-02
22.0125040 1.98948527D-04 -3.04891158D-02 5.95778541D-01 -5.41408629D-01 -2.41106258D-01 6.21941860D-02
11.9353190 -1.93040752D-04 -1.59804863D-03 7.01290949D-01 -9.12063637D-01 -4.18961554D-01 1.08299872D-01
6.4843798 1.41430807D-04 7.32017477D-04 1.39165351D-01 1.17620059D-01 7.07494501D-02 -1.82799729D-02
3.5272155 -9.72760006D-05 -2.41215735D-04 2.00739688D-02 8.62105254D-01 6.03885159D-01 -1.66821283D-01
1.9200081 7.38549403D-05 2.79844051D-04 -7.48137001D-03 4.64229579D-01 5.51711014D-01 -1.63504955D-01
1.0455466 -5.35250543D-05 -1.91167169D-04 6.49782386D-03 3.33369199D-02 -1.75772577D-01 6.34893523D-02
0.56947008 3.80647340D-05 1.26782433D-04 -4.96881992D-03 1.45445076D-02 -6.53276634D-01 2.23230325D-01
0.31019857 -2.68152533D-05 -9.28687962D-05 3.50020367D-03 -7.91116213D-03 -5.03718257D-01 3.13585716D-01
0.16897651 1.80121138D-05 6.10504919D-05 -2.42372725D-03 6.04769169D-03 -7.95721655D-02 1.68100917D-01
0.92049078E-01 -1.12726128D-05 -3.82357653D-05 1.53248045D-03 -3.81706583D-03 -1.11381752D-02 -1.55906313D-01
0.50143490E-01 6.13981327D-06 2.07730408D-05 -8.41687653D-04 2.12161527D-03 4.82862344D-03 -5.05377937D-01
0.27315562E-01 -2.55245262D-06 -8.62550252D-06 3.51806252D-04 -8.93599785D-04 -2.16979618D-03 -4.68180605D-01
0.14880098E-01 5.88112692D-07 1.98686036D-06 -8.13747285D-05 2.07772474D-04 5.24606098D-04 -1.31912576D-01
Gd P
408659.1100000 3.78535093D-06 -1.83712147D-06 8.64783009D-07 2.95506142D-07
139242.2400000 1.77693003D-05 -8.63058855D-06 4.02416664D-06 1.36685507D-06
52129.4320000 9.53691223D-05 -4.63228131D-05 2.18046060D-05 7.45014626D-06
21160.4700000 4.17122313D-04 -2.02966631D-04 9.48476792D-05 3.22556659D-05
9192.8532000 1.64217875D-03 -8.01115187D-04 3.76999129D-04 1.28740360D-04
4222.2510000 5.78074321D-03 -2.83799297D-03 1.33002432D-03 4.52747830D-04
2027.6361000 1.83371721D-02 -9.10688401D-03 4.29954761D-03 1.46874643D-03
1008.2627000 5.18771484D-02 -2.63583588D-02 1.24525430D-02 4.24648709D-03
514.9046100 1.26440201D-01 -6.67667759D-02 3.19474004D-02 1.09409486D-02
268.2371600 2.47343221D-01 -1.38252993D-01 6.67464739D-02 2.28571579D-02
141.7790100 3.45411725D-01 -2.05183201D-01 1.01310757D-01 3.49334112D-02
75.7164020 2.75810248D-01 -1.23700879D-01 5.35318978D-02 1.77822240D-02
40.7267440 9.45236882D-02 2.11333157D-01 -1.49928665D-01 -5.48523481D-02
22.0125040 8.87960949D-03 5.27312152D-01 -4.09503135D-01 -1.55062666D-01
11.9353190 3.73469094D-04 3.46024381D-01 -2.06510779D-01 -6.74867595D-02
6.4843798 -2.00888267D-04 6.45876860D-02 3.78882117D-01 1.85855337D-01
3.5272155 -3.01180705D-06 6.55104954D-03 5.67799062D-01 3.11131907D-01
1.9200081 -4.41793842D-05 -1.07036053D-03 2.63348651D-01 1.32275075D-01
1.0455466 2.02372855D-05 1.13304465D-03 3.40264501D-02 -2.47559985D-01
0.56947008 -1.22177444D-05 -7.47728373D-04 4.92290549D-03 -4.53939038D-01
0.31019857 6.97118535D-06 4.29870638D-04 -1.15756328D-03 -3.77045521D-01
0.16897651 -3.04399911D-06 -1.94770772D-04 6.66308394D-04 -1.13681789D-01
0.92049078E-01 7.40236675D-07 5.16546375D-05 -2.27425942D-04 -2.27511188D-02
Gd D
21160.4700000 4.73342465D-06 2.20282168D-06
9192.8532000 2.21703461D-05 1.04594379D-05
4222.2510000 1.20969365D-04 5.64857775D-05
2027.6361000 5.77342860D-04 2.71971194D-04
1008.2627000 2.44249731D-03 1.14899622D-03
514.9046100 9.54341591D-03 4.52950733D-03
268.2371600 3.19076611D-02 1.52416708D-02
141.7790100 9.07652179D-02 4.41459858D-02
75.7164020 2.02517232D-01 9.98217709D-02
40.7267440 3.27632842D-01 1.58411548D-01
22.0125040 3.39564809D-01 1.33990088D-01
11.9353190 1.74160897D-01 -9.26436366D-02
6.4843798 3.63754919D-02 -3.57731012D-01
3.5272155 2.94661580D-03 -4.05511991D-01
1.9200081 2.56519361D-04 -2.33368576D-01
1.0455466 8.32726419D-05 -6.30140505D-02
0.56947008 1.30110787D-05 -1.06151100D-02
Gd F
514.9046100 1.87790392D-04
268.2371600 6.17763980D-04
141.7790100 3.02304943D-03
75.7164020 1.14587943D-02
40.7267440 3.51609127D-02
22.0125040 8.74020253D-02
11.9353190 1.73671303D-01
6.4843798 2.49807860D-01
3.5272155 2.77430177D-01
1.9200081 2.46721825D-01
1.0455466 1.75788992D-01
0.56947008 1.05049026D-01
0.31019857 4.35956513D-02
0.16897651 1.51111014D-02
end
basis "Tb_WTBS" SPHERICAL
Tb S
0.10475391E+09 1.37146155D-06 4.51529455D-07 2.08735482D-07 -9.98199230D-08 -3.75343452D-08 9.38703314D-09
21602526.0000000 7.52405591D-06 2.47750855D-06 1.14569637D-06 -5.48261752D-07 -2.06257501D-07 5.15865320D-08
5133150.0000000 4.24480080D-05 1.39761503D-05 6.46055962D-06 -3.08903364D-06 -1.16140889D-06 2.90454646D-07
1391727.0000000 1.95765446D-04 6.44840418D-05 2.98227743D-05 -1.42729101D-05 -5.36987854D-06 1.34305849D-06
425700.1000000 7.80937948D-04 2.57396276D-04 1.18993361D-04 -5.68886779D-05 -2.13867905D-05 5.34851578D-06
145077.2300000 2.71513865D-03 8.97145576D-04 4.15147383D-04 -1.98749404D-04 -7.47883129D-05 1.87057007D-05
54359.4750000 8.36468643D-03 2.77898075D-03 1.28604780D-03 -6.14814573D-04 -2.31097171D-04 5.77927487D-05
22093.4520000 2.30537508D-02 7.76477186D-03 3.60402747D-03 -1.72725838D-03 -6.50243419D-04 1.62645012D-04
9612.3772000 5.68682786D-02 1.97073203D-02 9.17520811D-03 -4.39014727D-03 -1.65001623D-03 4.12630693D-04
4421.7340000 1.23486779D-01 4.54277037D-02 2.13741524D-02 -1.02828182D-02 -3.87572318D-03 9.69582153D-04
2126.5727000 2.25315212D-01 9.29050058D-02 4.43926515D-02 -2.13464314D-02 -8.02712931D-03 2.00753129D-03
1058.8756000 3.13175427D-01 1.59643910D-01 7.91703941D-02 -3.86187068D-02 -1.46128562D-02 3.65750396D-03
541.3772300 2.73612498D-01 1.92840196D-01 1.00956420D-01 -4.93763501D-02 -1.85929135D-02 4.65075805D-03
282.2990100 1.08410128D-01 6.13365959D-02 3.60058113D-02 -1.91323259D-02 -7.51796325D-03 1.89070994D-03
149.3268900 1.07415211D-02 -3.17730264D-01 -2.34913784D-01 1.27274260D-01 4.95342803D-02 -1.24430053D-02
79.7956010 7.82892209D-04 -5.53774661D-01 -5.58759003D-01 3.16877187D-01 1.22862221D-01 -3.08468636D-02
42.9408290 -3.95808912D-04 -2.83481883D-01 -3.38231747D-01 2.29615318D-01 9.56216331D-02 -2.42295987D-02
23.2173740 2.20977613D-04 -3.33540555D-02 5.76787338D-01 -5.22333938D-01 -2.31235626D-01 5.90704061D-02
12.5919610 -2.12695124D-04 -1.74805566D-03 7.15586265D-01 -9.24797964D-01 -4.23002321D-01 1.08379637D-01
6.8425242 1.56294590D-04 8.03445021D-04 1.48199745D-01 9.01548460D-02 5.69750132D-02 -1.46525413D-02
3.7226285 -1.08574721D-04 -3.11022011D-04 2.07918340D-02 8.58144612D-01 5.91358640D-01 -1.61157312D-01
2.0266475 8.23588282D-05 3.38378013D-04 -7.47473369D-03 4.79852906D-01 5.59239216D-01 -1.64146759D-01
1.1037439 -5.97474109D-05 -2.34862517D-04 6.56842663D-03 3.73002816D-02 -1.52022712D-01 5.53651938D-02
0.60123073 4.25770609D-05 1.59196920D-04 -5.02132062D-03 1.48386024D-02 -6.40734773D-01 2.14229948D-01
0.32753146 -3.00135700D-05 -1.16017586D-04 3.54203792D-03 -8.03087873D-03 -5.18296107D-01 3.08284630D-01
0.17843556 2.01839068D-05 7.67422263D-05 -2.45469505D-03 6.17427657D-03 -9.06915577D-02 1.77503649D-01
0.97211103E-01 -1.26398993D-05 -4.81183259D-05 1.55240597D-03 -3.89750996D-03 -1.11908315D-02 -1.32272968D-01
0.52960513E-01 6.88608357D-06 2.61685471D-05 -8.52785664D-04 2.16821751D-03 4.49065919D-03 -4.90821768D-01
0.28852863E-01 -2.86251640D-06 -1.08710454D-05 3.56460214D-04 -9.13575318D-04 -2.03193954D-03 -4.78553005D-01
0.15719028E-01 6.59448906D-07 2.50461170D-06 -8.24481390D-05 2.12452175D-04 4.93025154D-04 -1.54512530D-01
Tb P
425700.1000000 3.72868289D-06 -1.81554434D-06 8.56888534D-07 2.91138473D-07
145077.2300000 1.74790999D-05 -8.51232266D-06 3.97643684D-06 1.34258076D-06
54359.4750000 9.36621872D-05 -4.56418452D-05 2.15410099D-05 7.31815050D-06
22093.4520000 4.08485018D-04 -1.99314374D-04 9.33270278D-05 3.15503670D-05
9612.3772000 1.60440238D-03 -7.85145855D-04 3.70431261D-04 1.25773631D-04
4421.7340000 5.63489417D-03 -2.77394045D-03 1.30268261D-03 4.40821284D-04
2126.5727000 1.78573411D-02 -8.89416698D-03 4.20954002D-03 1.42973391D-03
1058.8756000 5.05334062D-02 -2.57345508D-02 1.21826874D-02 4.12994537D-03
541.3772300 1.23554147D-01 -6.53837988D-02 3.13597162D-02 1.06776000D-02
282.2990100 2.43295170D-01 -1.36192812D-01 6.58798417D-02 2.24268626D-02
149.3268900 3.44043756D-01 -2.04975082D-01 1.01481284D-01 3.47917565D-02
79.7956010 2.80516996D-01 -1.30068751D-01 5.72444880D-02 1.89776971D-02
42.9408290 9.90802371D-02 2.00615388D-01 -1.43609626D-01 -5.22582563D-02
23.2173740 9.67750464D-03 5.25911473D-01 -4.08904580D-01 -1.53868182D-01
12.5919610 4.13599783D-04 3.54708515D-01 -2.17877420D-01 -7.18704376D-02
6.8425242 -2.14591726D-04 6.80094962D-02 3.69391956D-01 1.80573895D-01
3.7226285 1.00013550D-05 6.97068230D-03 5.69570198D-01 3.08280834D-01
2.0266475 -5.44180771D-05 -1.12918845D-03 2.71164003D-01 1.38856650D-01
1.1037439 2.72620240D-05 1.20807684D-03 3.61326295D-02 -2.36187648D-01
0.60123073 -1.67914424D-05 -7.93511963D-04 5.21645762D-03 -4.47339154D-01
0.32753146 9.60114292D-06 4.57458077D-04 -1.21602248D-03 -3.84800623D-01
0.17843556 -4.21503117D-06 -2.07412364D-04 7.12664867D-04 -1.22091677D-01
0.97211103E-01 1.04144316D-06 5.49284441D-05 -2.38795933D-04 -2.50284529D-02
Tb D
22093.4520000 4.65459420D-06 2.17946645D-06
9612.3772000 2.16398136D-05 1.02387674D-05
4421.7340000 1.17994367D-04 5.54049277D-05
2126.5727000 5.61144234D-04 2.65366108D-04
1058.8756000 2.37193952D-03 1.12132472D-03
541.3772300 9.26534044D-03 4.41613057D-03
282.2990100 3.10727959D-02 1.49129607D-02
149.3268900 8.87887233D-02 4.33676725D-02
79.7956010 1.99676094D-01 9.89331932D-02
42.9408290 3.26037258D-01 1.58609929D-01
23.2173740 3.41609956D-01 1.36670508D-01
12.5919610 1.77606658D-01 -8.85412446D-02
6.8425242 3.76309582D-02 -3.55829994D-01
3.7226285 3.16630439D-03 -4.06196401D-01
2.0266475 2.72734238D-04 -2.36212694D-01
1.1037439 1.03637836D-04 -6.44115224D-02
0.60123073 1.54652336D-05 -1.11446030D-02
Tb F
541.3772300 1.85504031D-04
282.2990100 6.10233163D-04
149.3268900 2.99420849D-03
79.7956010 1.13908620D-02
42.9408290 3.51913141D-02
23.2173740 8.78069622D-02
12.5919610 1.74446482D-01
6.8425242 2.50221708D-01
3.7226285 2.76445828D-01
2.0266475 2.45449518D-01
1.1037439 1.75285049D-01
0.60123073 1.06146620D-01
0.32753146 4.48871404D-02
0.17843556 1.66026421D-02
end
basis "Dy_WTBS" SPHERICAL
Dy S
89049143.0000000 1.76319874D-06 5.81102559D-07 2.69321967D-07 -1.29023769D-07 -4.83128508D-08 1.19813440D-08
17865654.0000000 1.00794989D-05 3.32193025D-06 1.53906141D-06 -7.37413825D-07 -2.76119084D-07 6.84789874D-08
4178570.2000000 5.74482049D-05 1.89357014D-05 8.77697787D-06 -4.20466184D-06 -1.57444056D-06 3.90449515D-07
1125969.3000000 2.65508875D-04 8.75417397D-05 4.05586370D-05 -1.94336429D-05 -7.27678382D-06 1.80469350D-06
344820.7400000 1.05138942D-03 3.47029360D-04 1.60900459D-04 -7.70813598D-05 -2.88636289D-05 7.15789925D-06
118226.6800000 3.60941667D-03 1.19470846D-03 5.53765551D-04 -2.65384310D-04 -9.93733984D-05 2.46457600D-05
44675.2550000 1.09461954D-02 3.64939815D-03 1.69487972D-03 -8.12177115D-04 -3.04150446D-04 7.54254697D-05
18315.8370000 2.96424068D-02 1.00460716D-02 4.67180423D-03 -2.24091282D-03 -8.39248114D-04 2.08153854D-04
8025.7757000 7.15858236D-02 2.51393389D-02 1.17703600D-02 -5.64971220D-03 -2.11660120D-03 5.24896393D-04
3707.7406000 1.50762448D-01 5.68898469D-02 2.68773517D-02 -1.29425110D-02 -4.85092536D-03 1.20332972D-03
1784.4165000 2.60651758D-01 1.13126774D-01 5.47587858D-02 -2.64767131D-02 -9.93572661D-03 2.46429626D-03
885.6689500 3.25699314D-01 1.81756600D-01 9.13814655D-02 -4.46747725D-02 -1.67965626D-02 4.16879777D-03
449.6543800 2.29886812D-01 1.80077974D-01 9.80072895D-02 -4.86242907D-02 -1.83587454D-02 4.55503896D-03
232.0182800 6.01399046D-02 -5.27100789D-02 -3.56707887D-02 1.81185539D-02 6.90248937D-03 -1.70947894D-03
121.0790700 2.85146305D-03 -4.77106820D-01 -3.90489403D-01 2.14926547D-01 8.28459403D-02 -2.06344177D-02
63.6707780 1.50611940D-04 -5.02125418D-01 -5.96438849D-01 3.57222571D-01 1.40758413D-01 -3.51064881D-02
33.6510830 -3.15796400D-05 -1.39363480D-01 5.73671090D-02 -4.04688676D-02 -1.63897563D-02 4.05691190D-03
17.8423430 -8.70271833D-05 -6.61264376D-03 8.50390193D-01 -9.26842780D-01 -4.17341423D-01 1.06032181D-01
9.4789696 5.71932512D-05 2.23567099D-04 4.06640019D-01 -5.17738394D-01 -2.35211616D-01 5.95984870D-02
5.0416778 -4.06498872D-05 -2.22373516D-04 3.67421061D-02 7.00465515D-01 4.10531691D-01 -1.06909525D-01
2.6833194 3.60669364D-05 4.57968535D-04 3.30119946D-03 7.41742316D-01 6.90455456D-01 -1.96759329D-01
1.4286300 -2.58384270D-05 -3.33334690D-04 -7.83057369D-05 1.41446270D-01 1.40926591D-01 -3.50587164D-02
0.76074884 1.83315118D-05 2.45273177D-04 -1.08754554D-04 9.78579268D-03 -5.59790000D-01 1.76833631D-01
0.40513184 -1.30296125D-05 -1.83050288D-04 4.51305426D-05 -1.57647242D-03 -6.35751087D-01 2.96335336D-01
0.21575706 8.69606817D-06 1.23290265D-04 -9.07388885D-05 2.19053788D-03 -1.92039922D-01 2.45629813D-01
0.11490486 -5.46050620D-06 -7.84978006D-05 6.00586693D-05 -1.32802948D-03 -6.97975309D-03 -4.71695473D-02
0.61194607E-01 2.99730714D-06 4.34177415D-05 -3.58144869D-05 7.64858565D-04 -1.56192596D-03 -4.48380388D-01
0.32590286E-01 -1.26590574D-06 -1.84345902D-05 1.56594155D-05 -3.30578076D-04 5.94478746D-04 -5.24991031D-01
0.17356543E-01 2.98594121D-07 4.36331342D-06 -3.75622992D-06 7.90782379D-05 -1.33973745D-04 -2.13639195D-01
Dy P
344820.7400000 5.68269078D-06 -2.76003471D-06 1.29225572D-06 -4.33758681D-07
118226.6800000 2.62155589D-05 -1.28905858D-05 6.10837200D-06 -2.06470139D-06
44675.2550000 1.37921329D-04 -6.70598468D-05 3.14070008D-05 -1.05430164D-05
18315.8370000 5.92368715D-04 -2.91340566D-04 1.37835055D-04 -4.65374228D-05
8025.7757000 2.28883875D-03 -1.12037273D-03 5.26109617D-04 -1.76805003D-04
3707.7406000 7.95704329D-03 -3.95152736D-03 1.87179012D-03 -6.31838741D-04
1784.4165000 2.48816385D-02 -1.24566960D-02 5.88288166D-03 -1.97992393D-03
885.6689500 6.92865634D-02 -3.58463493D-02 1.71278063D-02 -5.79000225D-03
449.6543800 1.62718114D-01 -8.75859300D-02 4.20513340D-02 -1.41997829D-02
232.0182800 2.96572978D-01 -1.71279745D-01 8.40716212D-02 -2.85782747D-02
121.0790700 3.54650165D-01 -2.09399112D-01 1.02578889D-01 -3.47251743D-02
63.6707780 2.11917186D-01 -2.20322492D-02 -5.16121315D-03 2.69016833D-03
33.6510830 4.34952452D-02 4.01688163D-01 -2.92976398D-01 1.07820461D-01
17.8423430 1.95722212D-03 5.22129077D-01 -4.14770668D-01 1.53425151D-01
9.4789696 -1.66846224D-04 1.80081229D-01 1.01129174D-01 -6.35252065D-02
5.0416778 4.13136138D-05 1.90615795D-02 5.81923765D-01 -2.89610931D-01
2.6833194 -1.33763793D-04 -2.57669030D-04 4.31140190D-01 -2.54008723D-01
1.4286300 7.82571636D-05 1.23085657D-03 9.04298180D-02 1.05980966D-01
0.76074884 -5.30623822D-05 -7.85200789D-04 9.03193451D-03 4.15168559D-01
0.40513184 3.12483589D-05 4.66727871D-04 -9.44976139D-04 4.53757612D-01
0.21575706 -1.42027904D-05 -2.18596896D-04 8.01602042D-04 1.88902613D-01
0.11490486 3.71418215D-06 5.97724275D-05 -2.71413562D-04 4.04809114D-02
Dy D
18315.8370000 7.62665605D-06 3.48941913D-06
8025.7757000 3.46879649D-05 1.69568135D-05
3707.7406000 1.87137719D-04 8.66398836D-05
1784.4165000 8.87042954D-04 4.26297947D-04
885.6689500 3.74725209D-03 1.76874549D-03
449.6543800 1.45411036D-02 7.00986721D-03
232.0182800 4.76296461D-02 2.29871531D-02
121.0790700 1.30262892D-01 6.46045047D-02
63.6707780 2.65287511D-01 1.31326665D-01
33.6510830 3.69813411D-01 1.74955964D-01
17.8423430 2.83713188D-01 5.04257895D-02
9.4789696 9.00276999D-02 -2.57914061D-01
5.0416778 1.09558161D-02 -4.32494246D-01
2.6833194 3.11485138D-04 -3.29949806D-01
1.4286300 3.58508127D-04 -1.13115234D-01
0.76074884 -1.98511551D-05 -2.28207634D-02
Dy F
449.6543800 3.37534386D-04
232.0182800 1.10887996D-03
121.0790700 5.48112132D-03
63.6707780 1.99883077D-02
33.6510830 5.78633554D-02
17.8423430 1.35093145D-01
9.4789696 2.30103675D-01
5.0416778 2.82129195D-01
2.6833194 2.72645018D-01
1.4286300 2.06524322D-01
0.76074884 1.32182500D-01
0.40513184 6.00065751D-02
0.21575706 2.53973920D-02
end
basis "Ho_WTBS" SPHERICAL
Ho S
92107305.0000000 1.75416431D-06 5.78673452D-07 2.68781327D-07 -1.28948767D-07 -4.80778658D-08 1.18264361D-08
18510170.0000000 1.00038208D-05 3.30012102D-06 1.53228878D-06 -7.35208418D-07 -2.74114670D-07 6.74315769D-08
4332794.1000000 5.69977553D-05 1.88050288D-05 8.73543113D-06 -4.19075180D-06 -1.56250637D-06 3.84348541D-07
1167647.0000000 2.63505063D-04 8.69634140D-05 4.03784918D-05 -1.93746779D-05 -7.22364969D-06 1.77701640D-06
357439.1200000 1.04440141D-03 3.45046932D-04 1.60330329D-04 -7.69185135D-05 -2.86791772D-05 7.05448204D-06
122465.2400000 3.58969118D-03 1.18928677D-03 5.52453487D-04 -2.65128553D-04 -9.88527946D-05 2.43183022D-05
46238.0490000 1.08997580D-02 3.63720898D-03 1.69290291D-03 -8.12401445D-04 -3.02929703D-04 7.45131792D-05
18941.3450000 2.95482044D-02 1.00229209D-02 4.67120098D-03 -2.24376765D-03 -8.36723978D-04 2.05850192D-04
8294.5473000 7.14160539D-02 2.51001894D-02 1.17777919D-02 -5.66156789D-03 -2.11194225D-03 5.19486494D-04
3830.3772000 1.50487724D-01 5.68283313D-02 2.69074847D-02 -1.29752794D-02 -4.84244948D-03 1.19152966D-03
1843.2198000 2.60301162D-01 1.13036798D-01 5.48384948D-02 -2.65558942D-02 -9.92268644D-03 2.44102343D-03
915.0095900 3.25567621D-01 1.81713074D-01 9.15678904D-02 -4.48307652D-02 -1.67836715D-02 4.13208308D-03
464.7538600 2.30389984D-01 1.80486754D-01 9.84678887D-02 -4.89414224D-02 -1.83989578D-02 4.52739344D-03
239.9708300 6.06488416D-02 -5.11658756D-02 -3.48305914D-02 1.77421533D-02 6.72896317D-03 -1.65143622D-03
125.3378200 2.90222111D-03 -4.75420319D-01 -3.89998702D-01 2.15032107D-01 8.25417222D-02 -2.03944404D-02
65.9776770 1.56538423D-04 -5.03442666D-01 -5.99231504D-01 3.59898977D-01 1.41216408D-01 -3.49265519D-02
34.9100530 -3.59054448D-05 -1.40885017D-01 5.42533159D-02 -3.91667199D-02 -1.58280117D-02 3.87164529D-03
18.5325330 -8.33553004D-05 -6.67232730D-03 8.50775088D-01 -9.29064643D-01 -4.16455941D-01 1.04942696D-01
9.8582777 5.47557611D-05 1.79696158D-04 4.08772499D-01 -5.19200300D-01 -2.34597350D-01 5.88750327D-02
5.2503585 -3.90967922D-05 -1.97077727D-04 3.75298269D-02 6.95163105D-01 4.04937204D-01 -1.04366402D-01
2.7981490 3.50676628D-05 4.37715512D-04 3.22097989D-03 7.43157721D-01 6.83925407D-01 -1.92988030D-01
1.4917950 -2.52242025D-05 -3.19160833D-04 1.23670506D-05 1.45599540D-01 1.50148481D-01 -3.75991750D-02
0.79547227 1.79837262D-05 2.35600617D-04 -1.63489910D-04 9.76259453D-03 -5.43983989D-01 1.69222008D-01
0.42420547 -1.28342866D-05 -1.76247528D-04 8.76852634D-05 -1.33521253D-03 -6.38465818D-01 2.89979058D-01
0.22622566 8.58823361D-06 1.18645406D-04 -1.20907913D-04 2.05033405D-03 -2.04518399D-01 2.45933010D-01
0.12064588 -5.40391179D-06 -7.55438204D-05 7.95403940D-05 -1.23216911D-03 -8.10385459D-03 -2.56191885D-02
0.64340524E-01 2.96996920D-06 4.17516328D-05 -4.69252163D-05 7.12179451D-04 -1.88209920D-03 -4.34290242D-01
0.34312866E-01 -1.25545473D-06 -1.77086588D-05 2.04750405D-05 -3.07865813D-04 7.39182363D-04 -5.21324861D-01
0.18299088E-01 2.96281906D-07 4.18577883D-06 -4.91048022D-06 7.35873300D-05 -1.69685983D-04 -2.43114445D-01
Ho P
357439.1200000 5.63582996D-06 -2.74504255D-06 1.28760700D-06 -4.29672753D-07
122465.2400000 2.60522467D-05 -1.28442387D-05 6.09768649D-06 -2.04825548D-06
46238.0490000 1.37255459D-04 -6.69264119D-05 3.14028397D-05 -1.04800832D-05
18941.3450000 5.90344786D-04 -2.91124137D-04 1.37987500D-04 -4.63018450D-05
8294.5473000 2.28341620D-03 -1.12088963D-03 5.27335541D-04 -1.76173868D-04
3830.3772000 7.94234178D-03 -3.95501043D-03 1.87695032D-03 -6.29704828D-04
1843.2198000 2.48406879D-02 -1.24718528D-02 5.90120529D-03 -1.97434184D-03
915.0095900 6.91590614D-02 -3.58818221D-02 1.71781288D-02 -5.77169620D-03
464.7538600 1.62402030D-01 -8.76786561D-02 4.21803267D-02 -1.41591490D-02
239.9708300 2.96059116D-01 -1.71510464D-01 8.43648270D-02 -2.85040127D-02
125.3378200 3.54496123D-01 -2.10039678D-01 1.03125295D-01 -3.47088630D-02
65.9776770 2.12518211D-01 -2.29822090D-02 -4.74192778D-03 2.54956364D-03
34.9100530 4.38379138D-02 4.01677365D-01 -2.94313556D-01 1.07664794D-01
18.5325330 1.97019316D-03 5.22262229D-01 -4.15485172D-01 1.52776491D-01
9.8582777 -1.61459718D-04 1.80440619D-01 1.01427014D-01 -6.33646560D-02
5.2503585 4.10769957D-05 1.92541798D-02 5.80021402D-01 -2.86478926D-01
2.7981490 -1.32259850D-04 -2.55762391D-04 4.31627856D-01 -2.52281661D-01
1.4917950 7.76773074D-05 1.25261855D-03 9.20792180D-02 1.00390535D-01
0.79547227 -5.27031019D-05 -7.92651235D-04 9.18022626D-03 4.06726852D-01
0.42420547 3.10535374D-05 4.72194033D-04 -8.78001103D-04 4.54814626D-01
0.22622566 -1.40993116D-05 -2.20914525D-04 7.88405338D-04 1.96478242D-01
0.12064588 3.68285212D-06 6.02842431D-05 -2.65243863D-04 4.40745166D-02
Ho D
18941.3450000 7.64394359D-06 3.51447473D-06
8294.5473000 3.47805947D-05 1.70481248D-05
3830.3772000 1.88013584D-04 8.74439235D-05
1843.2198000 8.90545119D-04 4.29443019D-04
915.0095900 3.76283433D-03 1.78348449D-03
464.7538600 1.45861327D-02 7.05829098D-03
239.9708300 4.77645172D-02 2.31492036D-02
125.3378200 1.30542619D-01 6.50098927D-02
65.9776770 2.65776676D-01 1.32161945D-01
34.9100530 3.69912137D-01 1.75586595D-01
18.5325330 2.82693187D-01 4.89908895D-02
9.8582777 8.94049319D-02 -2.59733149D-01
5.2503585 1.09317480D-02 -4.31573608D-01
2.7981490 3.49893179D-04 -3.28632873D-01
1.4917950 3.69184516D-04 -1.12898650D-01
0.79547227 -1.21901496D-05 -2.31435472D-02
Ho F
464.7538600 3.46784811D-04
239.9708300 1.13496716D-03
125.3378200 5.61641837D-03
65.9776770 2.04263466D-02
34.9100530 5.91164716D-02
18.5325330 1.37305275D-01
9.8582777 2.31841231D-01
5.2503585 2.81716919D-01
2.7981490 2.70497989D-01
1.4917950 2.04325356D-01
0.79547227 1.31542001D-01
0.42420547 6.01280789D-02
0.22622566 2.66291964D-02
end
basis "Er_WTBS" SPHERICAL
Er S
94399000.0000000 1.76381162D-06 5.82396150D-07 2.71081500D-07 -1.30225200D-07 -4.83520350D-08 1.18004485D-08
19023385.0000000 1.00151554D-05 3.30689704D-06 1.53860117D-06 -7.39161390D-07 -2.74427089D-07 6.69772440D-08
4462014.1000000 5.69550185D-05 1.88084174D-05 8.75555320D-06 -4.20606788D-06 -1.56172310D-06 3.81139441D-07
1204085.5000000 2.62955542D-04 8.68616810D-05 4.04141310D-05 -1.94158170D-05 -7.20841332D-06 1.75931158D-06
368852.8500000 1.04179778D-03 3.44507265D-04 1.60421273D-04 -7.70674105D-05 -2.86161261D-05 6.98372562D-06
126393.5600000 3.58183785D-03 1.18776390D-03 5.52871538D-04 -2.65650868D-04 -9.86271404D-05 2.40717087D-05
47705.3970000 1.08857605D-02 3.63590661D-03 1.69595151D-03 -8.15011365D-04 -3.02657917D-04 7.38625247D-05
19528.6050000 2.95499079D-02 1.00325620D-02 4.68514399D-03 -2.25308545D-03 -8.36599900D-04 2.04196763D-04
8543.2389000 7.15319362D-02 2.51660619D-02 1.18350331D-02 -5.69758746D-03 -2.11678799D-03 5.16601677D-04
3940.5275000 1.50951935D-01 5.70707160D-02 2.70779568D-02 -1.30719107D-02 -4.85730687D-03 1.18574073D-03
1893.7238000 2.61282309D-01 1.13675203D-01 5.52880832D-02 -2.68196070D-02 -9.98188417D-03 2.43641778D-03
938.7692700 3.26327383D-01 1.82696027D-01 9.22882881D-02 -4.52300010D-02 -1.68569433D-02 4.11714250D-03
476.1387800 2.29477772D-01 1.80388045D-01 9.88187588D-02 -4.92585455D-02 -1.84575489D-02 4.50695252D-03
245.4939600 5.93977859D-02 -5.60187240D-02 -3.82990420D-02 1.97125512D-02 7.48137443D-03 -1.82440564D-03
128.0374900 2.75643993D-03 -4.82202018D-01 -3.98743109D-01 2.20274315D-01 8.41523530D-02 -2.06243001D-02
67.3021200 1.26217999D-04 -4.99957333D-01 -6.01228439D-01 3.63637683D-01 1.42393107D-01 -3.49515531D-02
35.5601880 -1.67183874D-05 -1.34794308D-01 8.17415646D-02 -6.21383631D-02 -2.56925627D-02 6.30214941D-03
18.8510300 -9.66987966D-05 -6.10815884D-03 8.58850651D-01 -9.50454676D-01 -4.24423987D-01 1.06061872D-01
10.0136460 6.63346825D-05 3.23800507D-04 3.88442598D-01 -4.78155159D-01 -2.14596173D-01 5.34301121D-02
5.3256696 -4.74022690D-05 -2.96567544D-04 3.50750526D-02 7.23754225D-01 4.24119029D-01 -1.08681650D-01
2.8343429 4.08627081D-05 5.00536432D-04 1.89558660D-03 7.22474284D-01 6.74378508D-01 -1.88847338D-01
1.5089971 -2.94530637D-05 -3.68412498D-04 8.70641544D-04 1.31221358D-01 1.20646139D-01 -2.88740646D-02
0.80353148 2.09652490D-05 2.70481054D-04 -8.16565048D-04 1.01366734D-02 -5.54826091D-01 1.71493270D-01
0.42791071 -1.48851330D-05 -2.00262316D-04 5.61563400D-04 -2.19849560D-03 -6.27783303D-01 2.87820987D-01
0.22788619 9.95604913D-06 1.34906469D-04 -4.42988786D-04 2.57506289D-03 -1.92181189D-01 2.39178423D-01
0.12136347 -6.25075041D-06 -8.57157566D-05 2.84659993D-04 -1.57577376D-03 -7.82638395D-03 -3.49214192D-02
0.64633766E-01 3.42945701D-06 4.73510234D-05 -1.60604870D-04 9.02683307D-04 -1.31163075D-03 -4.37316245D-01
0.34421615E-01 -1.44737616D-06 -2.00840190D-05 6.88236572D-05 -3.89447922D-04 4.85030225D-04 -5.19506490D-01
0.18331714E-01 3.41188630D-07 4.75012323D-06 -1.63715033D-05 9.30765996D-05 -1.07395316D-04 -2.34034336D-01
Er P
368852.8500000 5.62658787D-06 -2.74763750D-06 1.29017675D-06 4.27818695D-07
126393.5600000 2.60138718D-05 -1.28601717D-05 6.12047084D-06 2.04486114D-06
47705.3970000 1.37176549D-04 -6.70623619D-05 3.15005792D-05 1.04466685D-05
19528.6050000 5.91089417D-04 -2.92274098D-04 1.38840382D-04 4.63296860D-05
8543.2389000 2.29091755D-03 -1.12756815D-03 5.31161393D-04 1.76360443D-04
3940.5275000 7.98793316D-03 -3.98857470D-03 1.89684591D-03 6.32792129D-04
1893.7238000 2.50406370D-02 -1.26080522D-02 5.97440914D-03 1.98671182D-03
938.7692700 6.98512289D-02 -3.63529507D-02 1.74409933D-02 5.82680361D-03
476.1387800 1.64131273D-01 -8.89263378D-02 4.28550253D-02 1.42993296D-02
245.4939600 2.98665267D-01 -1.73739173D-01 8.56856645D-02 2.87893721D-02
128.0374900 3.54881688D-01 -2.10569816D-01 1.03462817D-01 3.45997699D-02
67.3021200 2.09100170D-01 -1.57447384D-02 -9.21153643D-03 -4.07476706D-03
35.5601880 4.15664616D-02 4.14342320D-01 -3.05873582D-01 -1.11400461D-01
18.8510300 1.80545331D-03 5.17701152D-01 -4.10784857D-01 -1.49730333D-01
10.0136460 -2.00322159D-04 1.70184522D-01 1.26538423D-01 7.35687664D-02
5.3256696 6.76749236D-05 1.78405754D-02 5.86875393D-01 2.89554660D-01
2.8343429 -1.45401847D-04 -5.91193178D-04 4.17173419D-01 2.41496218D-01
1.5089971 8.82015890D-05 1.42590008D-03 8.40338517D-02 -1.14435586D-01
0.80353148 -5.91279825D-05 -9.12302022D-04 8.66100649D-03 -4.11116147D-01
0.42791071 3.47146972D-05 5.43161526D-04 -1.06473031D-03 -4.48687873D-01
0.22788619 -1.57716681D-05 -2.53356999D-04 8.47346485D-04 -1.89748155D-01
0.12136347 4.12957721D-06 6.88937398D-05 -2.78923358D-04 -4.16325964D-02
Er D
19528.6050000 7.71021959D-06 3.55541884D-06
8543.2389000 3.50888039D-05 1.72705628D-05
3940.5275000 1.90770705D-04 8.90206581D-05
1893.7238000 9.04702375D-04 4.37909834D-04
938.7692700 3.83995874D-03 1.82665321D-03
476.1387800 1.49078819D-02 7.24168282D-03
245.4939600 4.89281250D-02 2.38098330D-02
128.0374900 1.33578228D-01 6.68103639D-02
67.3021200 2.70760577D-01 1.35148746D-01
35.5601880 3.72237618D-01 1.76531281D-01
18.8510300 2.76776185D-01 3.94319828D-02
10.0136460 8.39233635D-02 -2.72972318D-01
5.3256696 9.92724109D-03 -4.33525862D-01
2.8343429 3.02672170D-04 -3.19037717D-01
1.5089971 3.81367392D-04 -1.05705194D-01
0.80353148 -1.30734102D-05 -2.09767185D-02
Er F
476.1387800 3.63450735D-04
245.4939600 1.19437803D-03
128.0374900 5.93038271D-03
67.3021200 2.15186083D-02
35.5601880 6.21779772D-02
18.8510300 1.43087331D-01
10.0136460 2.37157151D-01
5.3256696 2.83130760D-01
2.8343429 2.67483804D-01
1.5089971 1.99590211D-01
0.80353148 1.27460132D-01
0.42791071 5.80047391D-02
0.22788619 2.55510829D-02
end
basis "Tm_WTBS" SPHERICAL
Tm S
0.10117777E+09 1.68269367D-06 5.56103710D-07 2.59360411D-07 -1.24729756D-07 -4.61094418D-08 1.11688461D-08
20223019.0000000 9.67158545D-06 3.19640120D-06 1.49018971D-06 -7.16757440D-07 -2.64965056D-07 6.41844624D-08
4720909.3000000 5.51769109D-05 1.82371447D-05 8.50653515D-06 -4.09077399D-06 -1.51226006D-06 3.66302169D-07
1271557.9000000 2.54938894D-04 8.42909284D-05 3.92970905D-05 -1.89020044D-05 -6.98755171D-06 1.69266208D-06
389652.9300000 1.00800022D-03 3.33607808D-04 1.55654588D-04 -7.48545937D-05 -2.76722621D-05 6.70273954D-06
133768.9200000 3.45392568D-03 1.14629663D-03 5.34638519D-04 -2.57210304D-04 -9.50859895D-05 2.30341221D-05
50625.4990000 1.04582368D-02 3.49491217D-03 1.63335491D-03 -7.85689280D-04 -2.90476066D-04 7.03574506D-05
20785.0600000 2.83136967D-02 9.61364849D-03 4.49805176D-03 -2.16592464D-03 -8.00835795D-04 1.94009732D-04
9117.6234000 6.85227415D-02 2.40749156D-02 1.13408776D-02 -5.46415436D-03 -2.02092360D-03 4.89495888D-04
4214.5378000 1.45224319D-01 5.46957954D-02 2.59864152D-02 -1.25613987D-02 -4.64811322D-03 1.12622571D-03
2028.2635000 2.54333046D-01 1.09630244D-01 5.33443377D-02 -2.58866959D-02 -9.58965844D-03 2.32299773D-03
1006.0628000 3.25579273D-01 1.79236112D-01 9.04764835D-02 -4.43938961D-02 -1.64779430D-02 3.99469175D-03
510.1695100 2.39464631D-01 1.85392645D-01 1.01203639D-01 -5.03778647D-02 -1.87728680D-02 4.54872332D-03
262.8014300 6.69789823D-02 -3.39070946D-02 -2.39672230D-02 1.21284222D-02 4.55866560D-03 -1.09957096D-03
136.8577500 3.34244401D-03 -4.64574147D-01 -3.78719160D-01 2.09092642D-01 7.95539119D-02 -1.93530394D-02
71.7955330 2.74539471D-04 -5.16867447D-01 -6.13040697D-01 3.68746850D-01 1.43377977D-01 -3.49130805D-02
37.8450840 -1.21852679D-04 -1.49669449D-01 3.38072937D-02 -2.54864794D-02 -1.02299900D-02 2.44506844D-03
20.0096990 -1.75641562D-05 -6.89536677D-03 8.58238720D-01 -9.38649501D-01 -4.16567512D-01 1.03283227D-01
10.5992790 5.35641421D-06 4.04043067D-05 4.14543744D-01 -5.21814109D-01 -2.33666094D-01 5.77146515D-02
5.6206007 -2.53333196D-06 -1.14679948D-04 3.67686818D-02 7.06450369D-01 4.08806561D-01 -1.03669145D-01
2.9822990 8.11929668D-06 3.74010398D-04 3.45732637D-03 7.37407554D-01 6.73833946D-01 -1.86597414D-01
1.5829137 -5.67204053D-06 -2.76479935D-04 -1.97340652D-04 1.41319435D-01 1.40461307D-01 -3.48038878D-02
0.84029263 3.96597082D-06 2.05476142D-04 -1.26708441D-05 9.00635919D-03 -5.43672303D-01 1.66127230D-01
0.44610181 -2.98255438D-06 -1.54911141D-04 -1.17616248D-05 -1.11647897D-03 -6.32391228D-01 2.82752762D-01
0.23683695 1.92969540D-06 1.04443031D-04 -5.05177276D-05 1.84932038D-03 -2.02551341D-01 2.41478119D-01
0.12573873 -1.20467130D-06 -6.66791288D-05 3.49923896D-05 -1.10615609D-03 -7.60084813D-03 -2.49463349D-02
0.66755924E-01 6.52337502D-07 3.69548912D-05 -2.20782836D-05 6.40888285D-04 -1.98857702D-03 -4.29997592D-01
0.35441395E-01 -2.72807464D-07 -1.57329055D-05 9.88445317D-06 -2.77909317D-04 7.90811987D-04 -5.20529219D-01
0.18816196E-01 6.39902102D-08 3.73665934D-06 -2.40355499D-06 6.67231136D-05 -1.83220703D-04 -2.44565674D-01
Tm P
389652.9300000 5.38827903D-06 -2.63730273D-06 1.24079740D-06 -4.09049185D-07
133768.9200000 2.47569763D-05 -1.22740607D-05 5.84738302D-06 -1.94120261D-06
50625.4990000 1.29997774D-04 -6.36936840D-05 2.99748040D-05 -9.88241324D-06
20785.0600000 5.57026875D-04 -2.76182462D-04 1.31351822D-04 -4.35567978D-05
9117.6234000 2.15178368D-03 -1.06133371D-03 5.00828037D-04 -1.65301682D-04
4214.5378000 7.49231072D-03 -3.74960664D-03 1.78531306D-03 -5.91875875D-04
2028.2635000 2.35387378D-02 -1.18690243D-02 5.63294267D-03 -1.86194517D-03
1006.0628000 6.60661219D-02 -3.44101274D-02 1.65238488D-02 -5.48571384D-03
510.1695100 1.57209136D-01 -8.51475225D-02 4.10846335D-02 -1.36258085D-02
262.8014300 2.91801174D-01 -1.69569623D-01 8.36529138D-02 -2.79243673D-02
136.8577500 3.57952412D-01 -2.14010512D-01 1.05615212D-01 -3.51386413D-02
71.7955330 2.20441119D-01 -3.32704283D-02 1.01111606D-03 5.54353221D-04
37.8450840 4.64243924D-02 3.99725825D-01 -2.94980438D-01 1.06635395D-01
20.0096990 2.06234551D-03 5.28620935D-01 -4.21585777D-01 1.53097220D-01
10.5992790 -1.67850266D-04 1.81440677D-01 1.06430637D-01 -6.48369430D-02
5.6206007 5.54725110D-05 1.88922469D-02 5.85583647D-01 -2.85834502D-01
2.9822990 -1.39677076D-04 -2.58573327D-04 4.26812507D-01 -2.45066704D-01
1.5829137 8.46356136D-05 1.25168762D-03 8.86186297D-02 1.04938372D-01
0.84029263 -5.70903316D-05 -7.89048288D-04 8.64925427D-03 4.05970543D-01
0.44610181 3.36484207D-05 4.72944615D-04 -8.59036290D-04 4.51556795D-01
0.23683695 -1.53283365D-05 -2.21548663D-04 7.66782398D-04 1.96513268D-01
0.12573873 4.02910095D-06 6.06162733D-05 -2.55412072D-04 4.35891427D-02
Tm D
20785.0600000 7.18624100D-06 3.31662918D-06
9117.6234000 3.26634482D-05 1.61666878D-05
4214.5378000 1.76106709D-04 8.22989893D-05
2028.2635000 8.38272712D-04 4.07393481D-04
1006.0628000 3.55843560D-03 1.69687445D-03
510.1695100 1.39400863D-02 6.79325735D-03
262.8014300 4.62614854D-02 2.25681476D-02
136.8577500 1.28394378D-01 6.43879163D-02
71.7955330 2.65548322D-01 1.33137130D-01
37.8450840 3.73198731D-01 1.78609353D-01
20.0096990 2.84550933D-01 4.78514920D-02
10.5992790 8.83567988D-02 -2.67258674D-01
5.6206007 1.05777127D-02 -4.35048459D-01
2.9822990 3.76393658D-04 -3.23682106D-01
1.5829137 3.90798800D-04 -1.08175443D-01
0.84029263 -5.14523711D-06 -2.15032163D-02
Tm F
510.1695100 3.37683165D-04
262.8014300 1.12983949D-03
136.8577500 5.63859722D-03
71.7955330 2.08536960D-02
37.8450840 6.11615335D-02
20.0096990 1.42344450D-01
10.5992790 2.37762481D-01
5.6206007 2.84242792D-01
2.9822990 2.68158431D-01
1.5829137 1.99959039D-01
0.84029263 1.27794196D-01
0.44610181 5.84665802D-02
0.23683695 2.61732309D-02
end
basis "Yb_WTBS" SPHERICAL
Yb S
0.10067493E+09 1.74773195D-06 5.78114435D-07 2.70149356D-07 -1.30051469D-07 -4.78594123D-08 1.15111319D-08
20366645.0000000 9.86610603D-06 3.26348564D-06 1.52434811D-06 -7.33823673D-07 -2.70024591D-07 6.49493143D-08
4788484.0000000 5.60089327D-05 1.85288973D-05 8.65949024D-06 -4.16875517D-06 -1.53415250D-06 3.68989786D-07
1293624.2000000 2.58412423D-04 8.55125811D-05 3.99420711D-05 -1.92284339D-05 -7.07539327D-06 1.70186538D-06
396317.2000000 1.02449715D-03 3.39383109D-04 1.58659712D-04 -7.63839665D-05 -2.81111467D-05 6.76113981D-06
135714.0800000 3.52781953D-03 1.17187679D-03 5.47604762D-04 -2.63655897D-04 -9.70158246D-05 2.33359697D-05
51164.0210000 1.07441563D-02 3.59456288D-03 1.68329608D-03 -8.10678484D-04 -2.98385044D-04 7.17649312D-05
20915.0180000 2.92354967D-02 9.94099726D-03 4.66038791D-03 -2.24567462D-03 -8.26421608D-04 1.98796031D-04
9136.5004000 7.09510400D-02 2.49941441D-02 1.18007213D-02 -5.69366318D-03 -2.09664650D-03 5.04269905D-04
4208.5020000 1.50130264D-01 5.68148101D-02 2.70605359D-02 -1.30892808D-02 -4.82035255D-03 1.15971522D-03
2020.1938000 2.60631027D-01 1.13441988D-01 5.53972937D-02 -2.69362329D-02 -9.93711531D-03 2.39029117D-03
1000.5685000 3.26707237D-01 1.82872169D-01 9.27406573D-02 -4.55404623D-02 -1.68204921D-02 4.04894654D-03
507.1611400 2.30860590D-01 1.81542922D-01 9.99134914D-02 -4.99622716D-02 -1.85604594D-02 4.46590342D-03
261.3869000 6.01307820D-02 -5.44581488D-02 -3.76440560D-02 1.95211775D-02 7.35616569D-03 -1.76659642D-03
136.3023600 2.78780647D-03 -4.82485861D-01 -4.01310648D-01 2.22275527D-01 8.41523619D-02 -2.03269457D-02
71.6464060 1.31199497D-04 -5.01443074D-01 -6.07108202D-01 3.69505896D-01 1.43531346D-01 -3.47120355D-02
37.8607080 -2.11808658D-05 -1.34454683D-01 8.97226744D-02 -7.09833541D-02 -2.93565751D-02 7.09424016D-03
20.0753520 -9.22799241D-05 -5.93992400D-03 8.63618214D-01 -9.63051765D-01 -4.26049433D-01 1.04890995D-01
10.6673190 6.41507440D-05 3.39720300D-04 3.81699812D-01 -4.59717263D-01 -2.03746775D-01 4.98737700D-02
5.6753615 -4.59404129D-05 -3.18263326D-04 3.47779167D-02 7.30530078D-01 4.25039015D-01 -1.07099922D-01
3.0216325 3.97220635D-05 5.09411732D-04 1.19932919D-03 7.14003679D-01 6.60182925D-01 -1.81823398D-01
1.6093698 -2.87030785D-05 -3.77600572D-04 1.36168592D-03 1.29252253D-01 1.18490103D-01 -2.80396205D-02
0.85734009 2.04826295D-05 2.77712408D-04 -1.17213427D-03 1.01866257D-02 -5.40209424D-01 1.62998732D-01
0.45676054 -1.45805656D-05 -2.05250517D-04 8.22445842D-04 -2.29412052D-03 -6.25782679D-01 2.79110356D-01
0.24335468 9.78576797D-06 1.38406848D-04 -6.20504843D-04 2.63558749D-03 -2.01780083D-01 2.35329913D-01
0.12965713 -6.16776158D-06 -8.79608876D-05 3.97382376D-04 -1.61228804D-03 -9.10482328D-03 -1.28126983D-02
0.69080386E-01 3.39647978D-06 4.85988142D-05 -2.23064635D-04 9.23749667D-04 -1.45387586D-03 -4.22890732D-01
0.36805561E-01 -1.43795392D-06 -2.06126037D-05 9.53497759D-05 -3.98439156D-04 5.51474924D-04 -5.10608041D-01
0.19609755E-01 3.39748312D-07 4.87399379D-06 -2.26464416D-05 9.51890247D-05 -1.24191323D-04 -2.67452649D-01
Yb P
396317.2000000 5.51070571D-06 -2.70469644D-06 1.27319797D-06 4.16965406D-07
135714.0800000 2.55359307D-05 -1.26854463D-05 6.05651053D-06 1.99829467D-06
51164.0210000 1.34964100D-04 -6.63168132D-05 3.12297335D-05 1.02288863D-05
20915.0180000 5.83270340D-04 -2.89817548D-04 1.38092145D-04 4.55063842D-05
9136.5004000 2.26708135D-03 -1.12150321D-03 5.29707008D-04 1.73704075D-04
4208.5020000 7.92616164D-03 -3.97720876D-03 1.89710971D-03 6.25007835D-04
2020.1938000 2.49100834D-02 -1.26065497D-02 5.99018736D-03 1.96734039D-03
1000.5685000 6.96403603D-02 -3.64271984D-02 1.75304388D-02 5.78395533D-03
507.1611400 1.63985909D-01 -8.93357307D-02 4.31819190D-02 1.42307566D-02
261.3869000 2.98906003D-01 -1.74890244D-01 8.65561094D-02 2.87220772D-02
136.3023600 3.55399073D-01 -2.12108695D-01 1.04546562D-01 3.45339823D-02
71.6464060 2.09033425D-01 -1.43434069D-02 -1.03861923D-02 -4.45375048D-03
37.8607080 4.11129881D-02 4.20334886D-01 -3.13062234D-01 -1.12658502D-01
20.0753520 1.75732932D-03 5.16046944D-01 -4.09155774D-01 -1.47059556D-01
10.6673190 -2.15990539D-04 1.65857019D-01 1.39182134D-01 7.79972502D-02
5.6753615 8.46408010D-05 1.73841041D-02 5.87540608D-01 2.86180901D-01
3.0216325 -1.52820533D-04 -7.36750554D-04 4.10717015D-01 2.33706964D-01
1.6093698 9.46502612D-05 1.52569944D-03 8.21193047D-02 -1.13718869D-01
0.85734009 -6.31409538D-05 -9.72348525D-04 8.54479456D-03 -4.02495329D-01
0.45676054 3.70234902D-05 5.80061707D-04 -1.06863757D-03 -4.47031370D-01
0.24335468 -1.68114749D-05 -2.70043356D-04 8.55086199D-04 -1.96212142D-01
0.12965713 4.40359955D-06 7.32143120D-05 -2.76842339D-04 -4.51411910D-02
Yb D
20915.0180000 7.67094627D-06 3.56248102D-06
9136.5004000 3.49724956D-05 1.73017253D-05
4208.5020000 1.91233670D-04 8.98575073D-05
2020.1938000 9.07866190D-04 4.41970620D-04
1000.5685000 3.86776534D-03 1.85205097D-03
507.1611400 1.50340637D-02 7.34857114D-03
261.3869000 4.94769587D-02 2.42427763D-02
136.3023600 1.35158248D-01 6.80651172D-02
71.6464060 2.73784695D-01 1.37653883D-01
37.8607080 3.73693094D-01 1.77756292D-01
20.0753520 2.72803647D-01 3.26896467D-02
10.6673190 8.06138280D-02 -2.81690877D-01
5.6753615 9.44620365D-03 -4.33014999D-01
3.0216325 3.30858043D-04 -3.12663677D-01
1.6093698 3.99064279D-04 -1.02048591D-01
0.85734009 -4.66278841D-06 -2.02923060D-02
Yb F
507.1611400 3.81226858D-04
261.3869000 1.25459393D-03
136.3023600 6.25186653D-03
71.6464060 2.26417966D-02
37.8607080 6.54288234D-02
20.0753520 1.48939931D-01
10.6673190 2.42063272D-01
5.6753615 2.83460777D-01
3.0216325 2.63518363D-01
1.6093698 1.94570029D-01
0.85734009 1.24069094D-01
0.45676054 5.65556152D-02
0.24335468 2.57620531D-02
end
basis "Lu_WTBS" SPHERICAL
Lu S
57801052.0000000 3.60458181D-06 1.19324352D-06 5.58389057D-07 -2.69568802D-07 -1.01372549D-07 -2.57071938D-08
11862288.0000000 1.99172558D-05 6.59432627D-06 3.08763409D-06 -1.49127743D-06 -5.61080862D-07 -1.42299866D-07
2811063.3000000 1.12560104D-04 3.72679073D-05 1.74380682D-05 -8.41757949D-06 -3.16510157D-06 -8.02622798D-07
760961.3200000 5.19618279D-04 1.72167766D-04 8.06287592D-05 -3.89459192D-05 -1.46541912D-05 -3.71661436D-06
232413.9800000 2.07374336D-03 6.88208198D-04 3.22095137D-04 -1.55476767D-04 -5.84556249D-05 -1.48231783D-05
79005.0980000 7.20233285D-03 2.40270097D-03 1.12656933D-03 -5.44371639D-04 -2.04872957D-04 -5.19621338D-05
29466.4680000 2.20571659D-02 7.45013082D-03 3.49527519D-03 -1.68790345D-03 -6.34560917D-04 -1.60907570D-04
11886.0920000 5.94714977D-02 2.06991336D-02 9.77108805D-03 -4.72989568D-03 -1.78118865D-03 -4.51811050D-04
5114.2865000 1.38192405D-01 5.12874478D-02 2.43995020D-02 -1.18181015D-02 -4.44438210D-03 -1.12698521D-03
2317.5570000 2.60001839D-01 1.10260936D-01 5.37104926D-02 -2.62033315D-02 -9.88928554D-03 -2.50931334D-03
1093.6304000 3.46180197D-01 1.88672955D-01 9.54316822D-02 -4.68602462D-02 -1.76581119D-02 -4.47840491D-03
532.2542800 2.48894822D-01 1.94607970D-01 1.07075581D-01 -5.39385853D-02 -2.05595536D-02 -5.22490142D-03
265.0484000 6.01198648D-02 -6.72590273D-02 -4.65089697D-02 2.49032641D-02 9.78808358D-03 2.50136198D-03
134.1944700 2.30303713D-03 -5.26587642D-01 -4.49560854D-01 2.49679456D-01 9.62905921D-02 2.44857333D-02
68.7410370 -1.00550716D-04 -4.84856796D-01 -6.08196031D-01 3.81314913D-01 1.53323646D-01 3.92459720D-02
35.4950900 1.65788864D-04 -9.75509901D-02 2.69984008D-01 -2.27717350D-01 -9.94189843D-02 -2.57701930D-02
18.4256670 -2.38622359D-04 -4.50755107D-03 8.81438084D-01 -1.05182620D+00 -4.77660553D-01 -1.23917749D-01
9.5974190 1.85058261D-04 1.90301700D-03 2.54593743D-01 -1.67577345D-01 -7.12951016D-02 -1.89236733D-02
5.0095204 -1.35158808D-04 -1.41360286D-03 2.52185871D-02 8.91749777D-01 5.85893072D-01 1.60696733D-01
2.6180297 1.03613167D-04 1.25397063D-03 -6.78456373D-03 5.48960513D-01 6.20207751D-01 1.83656702D-01
1.3691561 -7.50488033D-05 -9.28960461D-04 6.44775704D-03 4.21506578D-02 -1.61151978D-01 -5.57397069D-02
0.71628937 5.31880271D-05 6.64998415D-04 -4.98510270D-03 1.31450649D-02 -7.09188509D-01 -2.56732672D-01
0.37480036 -3.71899174D-05 -4.72125017D-04 3.52975684D-03 -7.00541970D-03 -4.74404983D-01 -3.24148988D-01
0.19613027 2.49615573D-05 3.18101256D-04 -2.44178652D-03 5.27037418D-03 -5.55389795D-02 -1.13579996D-01
0.10263651 -1.57122623D-05 -2.00886793D-04 1.55434327D-03 -3.33285825D-03 -8.66998344D-03 2.57406088D-01
0.53710982E-01 8.70670292D-06 1.11464363D-04 -8.67566408D-04 1.87405420D-03 4.08596519D-03 5.51289292D-01
0.28107697E-01 -3.73258783D-06 -4.78045971D-05 3.73316872D-04 -8.10322642D-04 -1.90381378D-03 3.87508651D-01
0.14709150E-01 8.98109333D-07 1.15019902D-05 -8.99920810D-05 1.96023017D-04 4.75198554D-04 5.62720056D-02
Lu P
232413.9800000 1.48084276D-05 -7.34861897D-06 -3.51886093D-06 1.19808329D-06
79005.0980000 6.96694145D-05 -3.43392129D-05 -1.61946773D-05 5.46021446D-06
29466.4680000 3.76829302D-04 -1.87298981D-04 -8.96845157D-05 3.05292367D-05
11886.0920000 1.65211057D-03 -8.19006705D-04 -3.87802638D-04 1.31033454D-04
5114.2865000 6.51753338D-03 -3.26797140D-03 -1.56517618D-03 5.32365835D-04
2317.5570000 2.25150900D-02 -1.13996715D-02 -5.43080198D-03 1.83841940D-03
1093.6304000 6.80734345D-02 -3.55568765D-02 -1.71756417D-02 5.84938518D-03
532.2542800 1.69454076D-01 -9.24857474D-02 -4.48395045D-02 1.52337081D-02
265.0484000 3.17015151D-01 -1.86174406D-01 -9.26451882D-02 3.17513731D-02
134.1944700 3.66908371D-01 -2.17963139D-01 -1.07295519D-01 3.64643050D-02
68.7410370 1.92973163D-01 3.04840723D-02 3.85715379D-02 -1.45433439D-02
35.4950900 2.88626000D-02 4.93175530D-01 3.76630492D-01 -1.40987574D-01
18.4256670 1.23921125D-03 4.78842182D-01 3.60260943D-01 -1.30026656D-01
9.5974190 -5.19104362D-04 1.08726215D-01 -2.96345716D-01 1.49391214D-01
5.0095204 2.81327990D-04 1.13660433D-02 -6.16512943D-01 3.27690575D-01
2.6180297 -2.64176013D-04 -2.58461648D-03 -3.07934956D-01 1.62954029D-01
1.3691561 1.75518576D-04 2.39198222D-03 -3.46379304D-02 -2.60222909D-01
0.71628937 -1.13202394D-04 -1.59210602D-03 -5.91809772D-03 -4.88349842D-01
0.37480036 6.57280362D-05 9.36474090D-04 2.06244290D-03 -3.63813619D-01
0.19613027 -3.01000589D-05 -4.36602168D-04 -1.08139436D-03 -9.17947971D-02
0.10263651 8.06231063D-06 1.18572735D-04 3.31287969D-04 -1.50718475D-02
Lu D
5114.2865000 1.91555921D-04 -9.17387155D-05 -1.83570353D-05
2317.5570000 7.12805370D-04 -3.48528173D-04 -7.05455691D-05
1093.6304000 3.73299846D-03 -1.80202083D-03 -3.61270158D-04
532.2542800 1.52898633D-02 -7.51936345D-03 -1.51914661D-03
265.0484000 5.37894754D-02 -2.65751570D-02 -5.35367217D-03
134.1944700 1.50528016D-01 -7.64328096D-02 -1.55003043D-02
68.7410370 3.03048090D-01 -1.53286338D-01 -3.09844240D-02
35.4950900 3.86988248D-01 -1.79008603D-01 -3.58025773D-02
18.4256670 2.40996113D-01 2.55595833D-02 1.14228810D-02
9.5974190 5.42871523D-02 3.54265723D-01 8.50896016D-02
5.0095204 5.44577751D-03 4.39864185D-01 1.03900026D-01
2.6180297 -2.76344405D-04 2.51695251D-01 3.22905473D-02
1.3691561 6.80206218D-04 6.07137161D-02 -1.06069016D-01
0.71628937 -3.78439549D-04 7.98366386D-03 -2.35239193D-01
0.37480036 2.66781031D-04 -2.31791496D-04 -2.99260312D-01
0.19613027 -1.56428403D-04 5.81593346D-04 -3.09504646D-01
0.10263651 7.51498293D-05 -2.64298384D-04 -1.91513642D-01
0.53710982E-01 -2.21922561D-05 8.93516898D-05 -1.20487002D-01
Lu F
532.2542800 3.85355467D-04
265.0484000 1.47328606D-03
134.1944700 7.55218204D-03
68.7410370 2.82106368D-02
35.4950900 8.18360448D-02
18.4256670 1.80831735D-01
9.5974190 2.73077827D-01
5.0095204 2.99626297D-01
2.6180297 2.52034175D-01
1.3691561 1.69440234D-01
0.71628937 8.06005075D-02
0.37480036 3.64542976D-02
end
basis "Hf_WTBS" SPHERICAL
Hf S
68974306.0000000 3.00711338D-06 9.96342534D-07 4.67102392D-07 -2.26298456D-07 -8.67966812D-08 -2.24515981D-08
13971077.0000000 1.69531943D-05 5.61670780D-06 2.63427025D-06 -1.27588841D-06 -4.89365556D-07 -1.26583387D-07
3282919.8000000 9.64440700D-05 3.19611433D-05 1.49829284D-05 -7.25933299D-06 -2.78431952D-06 -7.20217205D-07
884868.4300000 4.46655028D-04 1.48074059D-04 6.94586099D-05 -3.36411569D-05 -1.29030889D-05 -3.33762220D-06
270041.8200000 1.78040143D-03 5.91266487D-04 2.77239388D-04 -1.34342849D-04 -5.15281075D-05 -1.33287604D-05
91980.3420000 6.16066848D-03 2.05457530D-03 9.64761252D-04 -4.67324229D-04 -1.79250758D-04 -4.63667812D-05
34445.9070000 1.87954334D-02 6.33998105D-03 2.97921728D-03 -1.44463009D-03 -5.54165299D-04 -1.43348249D-04
13970.4650000 5.06670055D-02 1.75341065D-02 8.28197186D-03 -4.01635597D-03 -1.54099100D-03 -3.98623158D-04
6048.4376000 1.18963494D-01 4.35664509D-02 2.07238721D-02 -1.00811681D-02 -3.86968173D-03 -1.00107582D-03
2758.5728000 2.31300898D-01 9.49778333D-02 4.60916442D-02 -2.24849306D-02 -8.63882248D-03 -2.23509799D-03
1310.0120000 3.33561208D-01 1.70841080D-01 8.57092111D-02 -4.22571551D-02 -1.62662112D-02 -4.20963441D-03
641.4046300 2.83755548D-01 2.05679902D-01 1.10823926D-01 -5.53211252D-02 -2.13700555D-02 -5.53301958D-03
321.1848400 9.54853472D-02 2.71627393D-02 1.42843763D-02 -7.71576147D-03 -3.00197445D-03 -7.78084135D-04
163.4473200 5.66068004D-03 -4.25657346D-01 -3.35742149D-01 1.85496339D-01 7.31486342D-02 1.89922890D-02
84.1164820 6.57292133D-04 -5.58934282D-01 -6.45352427D-01 3.87632209D-01 1.56192355D-01 4.06727874D-02
43.6203880 -3.93696770D-04 -1.79028068D-01 -4.13856069D-02 2.86898859D-02 1.20846879D-02 3.15606203D-03
22.7335220 1.85805597D-04 -8.18826082D-03 8.71072913D-01 -9.48641574D-01 -4.36626507D-01 -1.15722670D-01
11.8855170 -1.46676352D-04 -2.13119417D-04 4.40457046D-01 -5.61221806D-01 -2.64364494D-01 -7.04166115D-02
6.2259588 1.08886498D-04 1.84287049D-05 3.56393833D-02 7.37528960D-01 4.48834479D-01 1.23213613D-01
3.2649834 -7.26481880D-05 2.92776426D-04 4.66834576D-03 7.38425031D-01 7.35337866D-01 2.20634139D-01
1.7132613 5.21481306D-05 -2.30029565D-04 -1.23933460D-03 1.21859315D-01 7.82154400D-02 1.92230294D-02
0.89929932 -3.70300684D-05 1.72331721D-04 6.60758718D-04 8.35397649D-03 -6.73899515D-01 -2.40656412D-01
0.47211784 2.54627326D-05 -1.32140291D-04 -4.88451077D-04 -1.89259881D-03 -5.84431887D-01 -3.34720256D-01
0.24787032 -1.71035941D-05 8.95406927D-05 2.77142938D-04 2.18377269D-03 -1.22439688D-01 -1.77206941D-01
0.13013947 1.07203164D-05 -5.72702908D-05 -1.70420297D-04 -1.35081108D-03 -4.72339795D-03 1.72436115D-01
0.68327688E-01 -5.91374724D-06 3.18954633D-05 9.19407817D-05 7.75081303D-04 -1.45165068D-04 4.98452252D-01
0.35874441E-01 2.52036566D-06 -1.36851724D-05 -3.88687531D-05 -3.36662222D-04 -9.22337238D-05 4.64545464D-01
0.18835349E-01 -6.02421309D-07 3.28644735D-06 9.26448671D-06 8.14939500D-05 3.08514875D-05 1.21826616D-01
Hf P
270041.8200000 1.19684700D-05 -5.95965610D-06 2.85748283D-06 9.97902038D-07
91980.3420000 5.60404184D-05 -2.76385851D-05 1.31318750D-05 4.55390672D-06
34445.9070000 3.00254086D-04 -1.49717102D-04 7.17969882D-05 2.50713256D-05
13970.4650000 1.30659210D-03 -6.48090676D-04 3.08736135D-04 1.07228457D-04
6048.4376000 5.11548667D-03 -2.56916444D-03 1.23299220D-03 4.30344489D-04
2758.5728000 1.76870525D-02 -8.93863789D-03 4.27918931D-03 1.48844684D-03
1310.0120000 5.40156886D-02 -2.80968382D-02 1.35870790D-02 4.74781159D-03
641.4046300 1.39233121D-01 -7.52003767D-02 3.65637302D-02 1.27597064D-02
321.1848400 2.79147794D-01 -1.61539322D-01 8.01805362D-02 2.81705186D-02
163.4473200 3.71691556D-01 -2.25485231D-01 1.12790276D-01 3.95373693D-02
84.1164820 2.48354338D-01 -6.83651237D-02 2.13073936D-02 6.75799792D-03
43.6203880 5.58940166D-02 3.84031599D-01 -2.86988943D-01 -1.09570500D-01
22.7335220 2.49495696D-03 5.49567112D-01 -4.43215835D-01 -1.69799017D-01
11.8855170 -2.04196034D-04 1.90699759D-01 1.02297125D-01 6.72207560D-02
6.2259588 1.00328746D-04 1.87458779D-02 6.06495555D-01 3.17743723D-01
3.2649834 -1.73643698D-04 -2.74299318D-04 4.21623186D-01 2.57931880D-01
1.7132613 1.12457391D-04 1.18202594D-03 7.55004376D-02 -1.60117889D-01
0.89929932 -7.45524626D-05 -7.83686753D-04 7.14313517D-03 -4.78561054D-01
0.47211784 4.42825493D-05 4.63116410D-04 -1.27152531D-03 -4.22702002D-01
0.24787032 -2.02306992D-05 -2.20991460D-04 8.51540483D-04 -1.35170636D-01
0.13013947 5.43967409D-06 6.01486599D-05 -2.70365152D-04 -2.37008188D-02
Hf D
6048.4376000 1.40666926D-04 -6.75810549D-05 -1.51690513D-05
2758.5728000 5.20486671D-04 -2.57545978D-04 -5.87174593D-05
1310.0120000 2.69276610D-03 -1.30365002D-03 -2.93221680D-04
641.4046300 1.12120534D-02 -5.55680067D-03 -1.26269046D-03
321.1848400 4.03306863D-02 -1.99705695D-02 -4.51645397D-03
163.4473200 1.19164310D-01 -6.07309432D-02 -1.38420120D-02
84.1164820 2.61022372D-01 -1.33419969D-01 -3.03201821D-02
43.6203880 3.81658879D-01 -1.87469314D-01 -4.25522698D-02
22.7335220 2.96493413D-01 -5.46151898D-02 -7.68107556D-03
11.8855170 9.03739940D-02 2.77928969D-01 7.71932229D-02
6.2259588 1.04802188D-02 4.50691453D-01 1.20909118D-01
3.2649834 8.89433104D-05 3.15957508D-01 6.82536260D-02
1.7132613 6.67877361D-04 9.50400712D-02 -8.13514447D-02
0.89929932 -3.35200208D-04 1.33420451D-02 -2.39340595D-01
0.47211784 2.44195522D-04 1.83987092D-04 -3.20564636D-01
0.24787032 -1.43923211D-04 5.94743561D-04 -3.17653474D-01
0.13013947 6.87967883D-05 -2.47159288D-04 -1.86632406D-01
0.68327688E-01 -2.04157265D-05 8.69968840D-05 -9.97220932D-02
Hf F
641.4046300 2.65088304D-04
321.1848400 1.05190905D-03
163.4473200 5.36340380D-03
84.1164820 2.13875603D-02
43.6203880 6.53183237D-02
22.7335220 1.55979873D-01
11.8855170 2.58950350D-01
6.2259588 3.04676184D-01
3.2649834 2.70144783D-01
1.7132613 1.85794568D-01
0.89929932 8.75044623D-02
0.47211784 3.81889163D-02
end
basis "Ta_WTBS" SPHERICAL
Ta S
76966188.0000000 2.72148667D-06 9.02437012D-07 4.23832768D-07 -2.06060497D-07 -8.04719394D-08 -2.10114251D-08
15476141.0000000 1.55120808D-05 5.14297210D-06 2.41594612D-06 -1.17392227D-06 -4.58323417D-07 -1.19661886D-07
3620868.6000000 8.85087409D-05 2.93554239D-05 1.37865270D-05 -6.70373002D-06 -2.61814997D-06 -6.83615797D-07
974244.5100000 4.10232937D-04 1.36090127D-04 6.39372953D-05 -3.10654200D-05 -1.21281299D-05 -3.16645775D-06
297412.1000000 1.63232735D-03 5.42472132D-04 2.54829750D-04 -1.23937281D-04 -4.84077460D-05 -1.26397922D-05
101491.2100000 5.63148654D-03 1.87852304D-03 8.83372632D-04 -4.29208372D-04 -1.67557441D-04 -4.37458547D-05
38116.2880000 1.71318468D-02 5.77677233D-03 2.71935213D-03 -1.32361446D-03 -5.17106921D-04 -1.35028519D-04
15511.1470000 4.61592623D-02 1.59331287D-02 7.53279916D-03 -3.66313709D-03 -1.43018001D-03 -3.73390095D-04
6738.7622000 1.08952747D-01 3.96395864D-02 1.88743584D-02 -9.21677587D-03 -3.60382911D-03 -9.41174822D-04
3083.4588000 2.15516712D-01 8.70833857D-02 4.22021552D-02 -2.06268894D-02 -8.06088227D-03 -2.10474426D-03
1468.5036000 3.23636295D-01 1.60551671D-01 8.03144329D-02 -3.97345985D-02 -1.55859791D-02 -4.07245242D-03
720.7183000 2.99551567D-01 2.07282621D-01 1.10554063D-01 -5.51153317D-02 -2.16187844D-02 -5.64705779D-03
361.5774800 1.18241120D-01 6.98114214D-02 4.02609834D-02 -2.14107702D-02 -8.58738161D-03 -2.25315839D-03
184.2596800 9.52518946D-03 -3.62573003D-01 -2.76013259D-01 1.52462843D-01 6.13752175D-02 1.60995503D-02
94.9205960 9.49876801D-04 -5.82467527D-01 -6.38147126D-01 3.77419980D-01 1.53720556D-01 4.03621355D-02
49.2548920 -6.10424360D-04 -2.31905102D-01 -1.91044437D-01 1.38100693D-01 6.03057229D-02 1.60157928D-02
25.6799310 3.68381564D-04 -1.35404474D-02 8.17937596D-01 -8.52451415D-01 -3.98391921D-01 -1.06720411D-01
13.4285560 -2.96865786D-04 -1.45387909D-03 5.44081689D-01 -7.32402182D-01 -3.52099079D-01 -9.45814064D-02
7.0346660 2.20618084D-04 9.28903852D-04 5.02305093D-02 6.19273108D-01 3.70409216D-01 1.01822070D-01
3.6889759 -1.54000204D-04 -3.68908646D-04 1.07152136D-02 8.19349035D-01 7.82605019D-01 2.36635100D-01
1.9355845 1.11203178D-04 2.66451361D-04 -5.31770308D-03 1.74709342D-01 1.87724427D-01 5.44790593D-02
1.0158805 -7.90056518D-05 -1.83938321D-04 3.75447651D-03 5.76045258D-03 -6.63413700D-01 -2.40908060D-01
0.53325039 5.46370381D-05 1.16461533D-04 -2.72821910D-03 1.56482834D-03 -6.20063846D-01 -3.39656342D-01
0.27992660 -3.67060787D-05 -7.83422846D-05 1.80674476D-03 3.58241433D-05 -1.50823661D-01 -1.89760455D-01
0.14694881 2.30515481D-05 4.84448516D-05 -1.14561628D-03 3.40484970D-05 -3.08693398D-03 1.46341276D-01
0.77141956E-01 -1.27450587D-05 -2.66373829D-05 6.35591122D-04 5.20508869D-06 -2.30004462D-03 4.75259373D-01
0.40496343E-01 5.44643669D-06 1.13438260D-05 -2.72393492D-04 -5.05249576D-06 8.49178616D-04 4.76739194D-01
0.21258913E-01 -1.30520992D-06 -2.71318148D-06 6.54029328D-05 1.59096781D-06 -2.02507243D-04 1.54917771D-01
Ta P
297412.1000000 1.06143775D-05 -5.29494813D-06 2.54333210D-06 9.08310261D-07
101491.2100000 4.94931728D-05 -2.44705998D-05 1.17117989D-05 4.16699316D-06
38116.2880000 2.63494133D-04 -1.31618384D-04 6.32380598D-05 2.25845961D-05
15511.1470000 1.14176545D-03 -5.67504663D-04 2.72019333D-04 9.68679012D-05
6738.7622000 4.45056237D-03 -2.23794806D-03 1.07668115D-03 3.84478998D-04
3083.4588000 1.54086807D-02 -7.79234163D-03 3.75041741D-03 1.33705994D-03
1468.5036000 4.73311907D-02 -2.45810319D-02 1.19129120D-02 4.25948932D-03
720.7183000 1.24351744D-01 -6.69069376D-02 3.26687549D-02 1.16820454D-02
361.5774800 2.58301746D-01 -1.48373059D-01 7.36759969D-02 2.64760259D-02
184.2596800 3.68389608D-01 -2.24213360D-01 1.13008280D-01 4.06513068D-02
94.9205960 2.76323374D-01 -1.10824937D-01 4.64376839D-02 1.61289251D-02
49.2548920 7.49715456D-02 3.19752248D-01 -2.38812647D-01 -9.31075226D-02
25.6799310 3.99054381D-03 5.69362181D-01 -4.63758886D-01 -1.83425711D-01
13.4285560 5.65321412D-05 2.40887782D-01 3.61373465D-03 2.49154609D-02
7.0346660 -6.86218424D-05 2.54423157D-02 5.83482227D-01 3.09678006D-01
3.6889759 -6.79226275D-05 1.47999645D-03 4.74468859D-01 3.01204355D-01
1.9355845 3.74443737D-05 1.92719477D-04 1.01441291D-01 -1.17385687D-01
1.0158805 -2.66095558D-05 -1.08792326D-04 7.70218673D-03 -4.80415461D-01
0.53325039 1.71453724D-05 5.91187467D-05 -4.79627991D-04 -4.40834620D-01
0.27992660 -7.71819886D-06 -3.60283337D-05 5.59048239D-04 -1.49139433D-01
0.14694881 2.12956652D-06 9.87278669D-06 -1.84830399D-04 -2.63389794D-02
Ta D
6738.7622000 1.18241803D-04 -5.72445773D-05 1.38897003D-05
3083.4588000 4.35343850D-04 -2.16928290D-04 5.34423695D-05
1468.5036000 2.24657056D-03 -1.09544486D-03 2.66321645D-04
720.7183000 9.43097091D-03 -4.70427089D-03 1.15513555D-03
361.5774800 3.44386460D-02 -1.71577147D-02 4.19383353D-03
184.2596800 1.04660445D-01 -5.35854533D-02 1.31960093D-02
94.9205960 2.39688164D-01 -1.23616803D-01 3.03827024D-02
49.2548920 3.73821193D-01 -1.87819336D-01 4.61762087D-02
25.6799310 3.21429374D-01 -8.87001965D-02 1.76965536D-02
13.4285560 1.12648877D-01 2.37307873D-01 -7.29807839D-02
7.0346660 1.42907695D-02 4.50493051D-01 -1.31544831D-01
3.6889759 5.07851377D-04 3.44989395D-01 -8.74853152D-02
1.9355845 5.31126552D-04 1.12557589D-01 7.37891759D-02
1.0158805 -2.23537514D-04 1.58337872D-02 2.51714823D-01
0.53325039 1.69437232D-04 5.17461098D-04 3.37698810D-01
0.27992660 -1.00750468D-04 4.85986227D-04 3.15284196D-01
0.14694881 4.76161921D-05 -1.83728860D-04 1.75915705D-01
0.77141956E-01 -1.43314118D-05 6.70885738D-05 8.08692793D-02
Ta F
720.7183000 2.18606550D-04
361.5774800 8.88155270D-04
184.2596800 4.53276952D-03
94.9205960 1.86886373D-02
49.2548920 5.89576965D-02
25.6799310 1.46089054D-01
13.4285560 2.54169609D-01
7.0346660 3.09081043D-01
3.6889759 2.79392592D-01
1.9355845 1.89660666D-01
1.0158805 8.61814001D-02
0.53325039 3.35742955D-02
end
basis "W_WTBS" SPHERICAL
W S
81884798.0000000 2.60003146D-06 8.62816863D-07 4.05919002D-07 -1.98050694D-07 -7.86263330D-08 2.05860177D-08
16569649.0000000 1.46822056D-05 4.87145498D-06 2.29200409D-06 -1.11755400D-06 -4.43490965D-07 1.16102347D-07
3890365.2000000 8.35916759D-05 2.77455033D-05 1.30531673D-05 -6.36974926D-06 -2.52904084D-06 6.62173146D-07
1048059.9000000 3.87354472D-04 1.28592543D-04 6.05084391D-05 -2.95009184D-05 -1.17065117D-05 3.06462121D-06
319811.1900000 1.54414854D-03 5.13511420D-04 2.41651105D-04 -1.17948046D-04 -4.68351262D-05 1.22630806D-05
108975.6400000 5.34334620D-03 1.78325998D-03 8.39806351D-04 -4.09437330D-04 -1.62457406D-04 4.25280504D-05
40849.4500000 1.63136372D-02 5.50140568D-03 2.59425609D-03 -1.26725776D-03 -5.03357435D-04 1.31805620D-04
16593.0780000 4.41368368D-02 1.52224583D-02 7.20537994D-03 -3.51561239D-03 -1.39494391D-03 3.65156349D-04
7199.0655000 1.04726126D-01 3.80018376D-02 1.81211969D-02 -8.88056821D-03 -3.53070928D-03 9.24694873D-04
3292.0533000 2.08921000D-01 8.38821863D-02 4.06585612D-02 -1.99334375D-02 -7.91531885D-03 2.07210256D-03
1568.2454000 3.18844393D-01 1.56122803D-01 7.81042585D-02 -3.87704948D-02 -1.54664918D-02 4.05309528D-03
770.5543300 3.05233456D-01 2.06996773D-01 1.10008349D-01 -5.49601660D-02 -2.18902142D-02 5.73164541D-03
387.3491800 1.28839351D-01 8.67391939D-02 5.04354297D-02 -2.67610715D-02 -1.09302737D-02 2.87899427D-03
197.9316700 1.20261211D-02 -3.30098505D-01 -2.48032189D-01 1.37263635D-01 5.62902418D-02 -1.48200677D-02
102.3045000 1.02433443D-03 -5.86566863D-01 -6.25894808D-01 3.68689166D-01 1.52178719D-01 -4.00420114D-02
53.2896300 -6.52054241D-04 -2.60991003D-01 -2.64320425D-01 1.88911512D-01 8.37451886D-02 -2.23350240D-02
27.9000120 4.14483354D-04 -1.84615059D-02 7.69011023D-01 -7.83710838D-01 -3.72236504D-01 1.00150423D-01
14.6544970 -3.41027359D-04 -1.94526022D-03 6.03168747D-01 -8.20423568D-01 -4.00898639D-01 1.07934829D-01
7.7124859 2.54559424D-04 1.29410458D-03 6.62186259D-02 5.20789989D-01 3.09844490D-01 -8.47476906D-02
4.0636568 -1.79361790D-04 -6.48088129D-04 1.34574937D-02 8.66007920D-01 8.10661248D-01 -2.46017666D-01
2.1424714 1.30254537D-04 4.87244280D-04 -6.95673226D-03 2.19375051D-01 2.70552507D-01 -8.08008893D-02
1.1299396 -9.28234504D-05 -3.45190463D-04 5.07863529D-03 5.28230932D-03 -6.45373519D-01 2.36364392D-01
0.59602305 6.43702429D-05 2.29973108D-04 -3.71949334D-03 3.91601485D-03 -6.46736749D-01 3.40972026D-01
0.31441253 -4.33025548D-05 -1.55792045D-04 2.48940103D-03 -1.36841803D-03 -1.78572403D-01 1.98027388D-01
0.16586220 2.71899658D-05 9.74137351D-05 -1.58379307D-03 9.52983749D-04 -3.18369835D-03 -1.09723808D-01
0.87498039E-01 -1.50040389D-05 -5.37784113D-05 8.79176014D-04 -5.03197223D-04 -3.83666866D-03 -4.49310109D-01
0.46158319E-01 6.38743214D-06 2.29107537D-05 -3.75987977D-04 2.13411085D-04 1.50609067D-03 -4.77389821D-01
0.24350157E-01 -1.52253150D-06 -5.46554454D-06 8.98976407D-05 -5.08378603D-05 -3.64552299D-04 -2.08052457D-01
W P
319811.1900000 9.81816060D-06 -4.90449988D-06 2.36289815D-06 8.61180642D-07
108975.6400000 4.60184893D-05 -2.28199292D-05 1.09878961D-05 3.99990885D-06
40849.4500000 2.45655925D-04 -1.22870544D-04 5.92154087D-05 2.15825645D-05
16593.0780000 1.06906981D-03 -5.32721009D-04 2.56739712D-04 9.34967459D-05
7199.0655000 4.17755416D-03 -2.10332182D-03 1.01533608D-03 3.70141324D-04
3292.0533000 1.45067212D-02 -7.34969096D-03 3.55522861D-03 1.29582055D-03
1568.2454000 4.46785205D-02 -2.32100940D-02 1.12864057D-02 4.12036772D-03
770.5543300 1.18118275D-01 -6.35496071D-02 3.11713722D-02 1.13943503D-02
387.3491800 2.48386277D-01 -1.42363884D-01 7.08841208D-02 2.60061025D-02
197.9316700 3.64049731D-01 -2.21934367D-01 1.12484850D-01 4.13894041D-02
102.3045000 2.88077134D-01 -1.28823999D-01 5.72428179D-02 2.04870577D-02
53.2896300 8.60751073D-02 2.82781705D-01 -2.12646256D-01 -8.46254637D-02
27.9000120 5.29262697D-03 5.71502546D-01 -4.67223900D-01 -1.89577842D-01
14.6544970 2.01462989D-04 2.71879414D-01 -5.57389544D-02 -1.38550423D-03
7.7124859 -1.63180571D-04 3.18720461D-02 5.57222416D-01 3.01113619D-01
4.0636568 -6.70939140D-06 2.51058030D-03 5.07611104D-01 3.30958187D-01
2.1424714 -7.58843804D-06 -3.15727385D-04 1.22964361D-01 -8.43098230D-02
1.1299396 2.56569047D-06 2.49576392D-04 8.78182107D-03 -4.77276981D-01
0.59602305 7.37077224D-07 -1.61924483D-04 1.06416290D-04 -4.53793367D-01
0.31441253 -5.87006065D-08 6.40973034D-05 3.68376705D-04 -1.62281155D-01
0.16586220 1.16687290D-07 -1.76589463D-05 -1.23819661D-04 -2.99044526D-02
W D
7199.0655000 1.09282472D-04 -5.33799086D-05 1.37620073D-05
3292.0533000 4.03518015D-04 -2.02222662D-04 5.28460383D-05
1568.2454000 2.08301795D-03 -1.02435279D-03 2.64572084D-04
770.5543300 8.74932711D-03 -4.39284922D-03 1.14483547D-03
387.3491800 3.20658817D-02 -1.60963692D-02 4.17850541D-03
197.9316700 9.81526603D-02 -5.05598556D-02 1.32171297D-02
102.3045000 2.28488752D-01 -1.18841856D-01 3.10305847D-02
53.2896300 3.66419547D-01 -1.86617611D-01 4.87511730D-02
27.9000120 3.31962772D-01 -1.05435050D-01 2.36784816D-02
14.6544970 1.26539466D-01 2.10917210D-01 -7.03233523D-02
7.7124859 1.74326278D-02 4.45408147D-01 -1.39065893D-01
4.0636568 8.26986269D-04 3.62366349D-01 -1.01737549D-01
2.1424714 4.45591503D-04 1.25432802D-01 6.75104940D-02
1.1299396 -1.52469682D-04 1.80434501D-02 2.60172931D-01
0.59602305 1.20572450D-04 7.85238660D-04 3.46478449D-01
0.31441253 -7.27721152D-05 4.02788097D-04 3.12693039D-01
0.16586220 3.36388708D-05 -1.44811392D-04 1.67748035D-01
0.87498039E-01 -1.03042015D-05 5.01665434D-05 7.32361585D-02
W F
770.5543300 2.05367632D-04
387.3491800 8.35756363D-04
197.9316700 4.25554061D-03
102.3045000 1.76592369D-02
53.2896300 5.63085611D-02
27.9000120 1.41298490D-01
14.6544970 2.51112709D-01
7.7124859 3.10906479D-01
4.0636568 2.83862390D-01
2.1424714 1.90259023D-01
1.1299396 8.34600638D-02
0.59602305 3.01621727D-02
end
basis "Re_WTBS" SPHERICAL
Re S
86861663.0000000 2.49653793D-06 8.29082374D-07 3.90690522D-07 -1.91305854D-07 -7.70860602D-08 2.01060998D-08
17601376.0000000 1.40686801D-05 4.67128071D-06 2.20122743D-06 -1.07710077D-06 -4.33797372D-07 1.13128883D-07
4135852.3000000 8.00584787D-05 2.65922433D-05 1.25314781D-05 -6.13722025D-06 -2.47326626D-06 6.45116735D-07
1114542.1000000 3.70945124D-04 1.23231898D-04 5.80748439D-05 -2.84146944D-05 -1.14430877D-05 2.98414801D-06
340096.1200000 1.47918233D-03 4.92237172D-04 2.32029429D-04 -1.13660998D-04 -4.58107440D-05 1.19495319D-05
115868.5300000 5.12160047D-03 1.71015270D-03 8.06564519D-04 -3.94615588D-04 -1.58898836D-04 4.14360993D-05
43425.4530000 1.56504545D-02 5.27891351D-03 2.49347569D-03 -1.22243737D-03 -4.92868777D-04 1.28573791D-04
17638.2200000 4.24114658D-02 1.46191670D-02 6.92851958D-03 -3.39222799D-03 -1.36586260D-03 3.56156245D-04
7653.5125000 1.00957606D-01 3.65556379D-02 1.74560134D-02 -8.58526032D-03 -3.46496372D-03 9.04094867D-04
3501.2239000 2.02810974D-01 8.09812313D-02 3.92682222D-02 -1.93144637D-02 -7.78173684D-03 2.02913589D-03
1669.0019000 3.14080199D-01 1.52016658D-01 7.60558303D-02 -3.78792686D-02 -1.53416148D-02 4.00570105D-03
820.8342300 3.09987777D-01 2.06385883D-01 1.09379472D-01 -5.47874969D-02 -2.21311203D-02 5.77112455D-03
413.1175800 1.38745607D-01 1.00906524D-01 5.87870322D-02 -3.11536207D-02 -1.29166761D-02 3.39113830D-03
211.3973900 1.46298686D-02 -3.01979030D-01 -2.24488534D-01 1.24485383D-01 5.19072776D-02 -1.36261879D-02
109.4384300 1.08336154D-03 -5.88368832D-01 -6.14297692D-01 3.61120932D-01 1.50962614D-01 -3.95521224D-02
57.1043730 -6.74358347D-04 -2.86019408D-01 -3.20378662D-01 2.26840366D-01 1.01836533D-01 -2.70765826D-02
29.9521630 4.45796090D-04 -2.33767965D-02 7.25973392D-01 -7.28516036D-01 -3.51284901D-01 9.42967704D-02
15.7624830 -3.72814051D-04 -2.31773063D-03 6.47577129D-01 -8.81701876D-01 -4.37355800D-01 1.17301429D-01
8.3119034 2.79205020D-04 1.57035172D-03 8.08015847D-02 4.45795965D-01 2.65013566D-01 -7.16568354D-02
4.3882382 -1.97881800D-04 -8.68271175D-04 1.53704045D-02 8.97210459D-01 8.36326580D-01 -2.53427797D-01
2.3182716 1.44182042D-04 6.63534647D-04 -8.01708576D-03 2.51283898D-01 3.23267484D-01 -9.67074224D-02
1.2251404 -1.02906610D-04 -4.75068676D-04 5.94935557D-03 5.37279428D-03 -6.43125936D-01 2.36650387D-01
0.64755668 7.14413487D-05 3.21694063D-04 -4.38151854D-03 5.47062385D-03 -6.58971359D-01 3.39834442D-01
0.34229458 -4.80707892D-05 -2.18342404D-04 2.94768598D-03 -2.28154359D-03 -1.92727723D-01 1.96455300D-01
0.18093959 3.01727620D-05 1.36912456D-04 -1.87892778D-03 1.55238068D-03 -2.85560862D-03 -8.71991296D-02
0.95646855E-01 -1.66331125D-05 -7.56105604D-05 1.04354602D-03 -8.34248064D-04 -4.86952971D-03 -4.34999334D-01
0.50560179E-01 7.06919348D-06 3.21836710D-05 -4.45955914D-04 3.55196734D-04 1.96314667D-03 -4.67190838D-01
0.26726780E-01 -1.68128618D-06 -7.66393218D-06 1.06448388D-04 -8.46981166D-05 -4.77579080D-04 -2.46459227D-01
Re P
340096.1200000 9.25182484D-06 -4.62834824D-06 2.23752238D-06 8.30557079D-07
115868.5300000 4.34123908D-05 -2.15856531D-05 1.04522418D-05 3.88236741D-06
43425.4530000 2.31712004D-04 -1.16063069D-04 5.61289832D-05 2.08364483D-05
17638.2200000 1.00929710D-03 -5.04121707D-04 2.44221663D-04 9.07167614D-05
7653.5125000 3.94476233D-03 -1.98883505D-03 9.63627652D-04 3.57877037D-04
3501.2239000 1.37195100D-02 -6.96308749D-03 3.38472022D-03 1.25810746D-03
1669.0019000 4.23520956D-02 -2.20118462D-02 1.07428646D-02 3.99589050D-03
820.8342300 1.12681046D-01 -6.06287304D-02 2.98722916D-02 1.11346512D-02
413.1175800 2.39837368D-01 -1.37227801D-01 6.85400788D-02 2.56187216D-02
211.3973900 3.60185986D-01 -2.19795193D-01 1.11965920D-01 4.20282853D-02
109.4384300 2.97967581D-01 -1.42966669D-01 6.58251114D-02 2.41369985D-02
57.1043730 9.59175687D-02 2.53393392D-01 -1.92448151D-01 -7.80701698D-02
29.9521630 6.60202509D-03 5.71467986D-01 -4.68423058D-01 -1.94269908D-01
15.7624830 3.16679014D-04 2.96232604D-01 -9.91085268D-02 -2.13539524D-02
8.3119034 -2.38540878D-04 3.75710179D-02 5.37388110D-01 2.96201878D-01
4.3882382 4.41021945D-05 3.30927321D-03 5.30598820D-01 3.54087147D-01
2.3182716 -4.50834724D-05 -7.00578362D-04 1.37793059D-01 -6.61604382D-02
1.2251404 2.72766792D-05 5.17154617D-04 9.58501464D-03 -4.80878555D-01
0.64755668 -1.30994132D-05 -3.30436617D-04 5.09532923D-04 -4.59214512D-01
0.34229458 6.41478125D-06 1.39780172D-04 2.45695540D-04 -1.67225621D-01
0.18093959 -1.57150386D-06 -3.84989708D-05 -8.13587779D-05 -3.07280138D-02
Re D
7653.5125000 1.01964843D-04 -5.02344731D-05 1.36202418D-05
3501.2239000 3.76161388D-04 -1.89690233D-04 5.20487510D-05
1669.0019000 1.94342147D-03 -9.63628149D-04 2.61711207D-04
820.8342300 8.17195502D-03 -4.13076350D-03 1.13092179D-03
413.1175800 3.01035316D-02 -1.52257426D-02 4.15495941D-03
211.3973900 9.29139315D-02 -4.81660116D-02 1.32299124D-02
109.4384300 2.19725934D-01 -1.15229009D-01 3.16367635D-02
57.1043730 3.60776701D-01 -1.85941259D-01 5.10743154D-02
29.9521630 3.39999006D-01 -1.17667302D-01 2.86114888D-02
15.7624830 1.37508538D-01 1.92162662D-01 -6.86854531D-02
8.3119034 2.00483901D-02 4.42642640D-01 -1.46212373D-01
4.3882382 1.08895404D-03 3.74454937D-01 -1.13199421D-01
2.3182716 3.68718593D-04 1.33105644D-01 6.64729712D-02
1.2251404 -9.39201275D-05 1.90402817D-02 2.72245041D-01
0.64755668 7.95677084D-05 8.53632268D-04 3.56771986D-01
0.34229458 -4.83101579D-05 2.77546900D-04 3.07343839D-01
0.18093959 2.21609510D-05 -1.49093259D-04 1.57328018D-01
0.95646855E-01 -6.76448149D-06 2.60186263D-05 6.13466844D-02
Re F
820.8342300 1.94111154D-04
413.1175800 7.93058275D-04
211.3973900 4.04250438D-03
109.4384300 1.69099881D-02
57.1043730 5.45733176D-02
29.9521630 1.38578588D-01
15.7624830 2.50378161D-01
8.3119034 3.13847302D-01
4.3882382 2.87536647D-01
2.3182716 1.88535308D-01
1.2251404 7.92933103D-02
0.64755668 2.62106013D-02
end
basis "Os_WTBS" SPHERICAL
Os S
91549282.0000000 2.41807711D-06 8.03599946D-07 3.79283533D-07 1.86393249D-07 -7.61995790D-08 1.99455098D-08
18522020.0000000 1.36590433D-05 4.53848599D-06 2.14191748D-06 1.05185978D-06 -4.29770935D-07 1.12474608D-07
4348043.2000000 7.77789735D-05 2.58534808D-05 1.22028473D-05 5.99795312D-06 -2.45235431D-06 6.41938660D-07
1171256.9000000 3.60458206D-04 1.19831413D-04 5.65579570D-05 2.77722305D-05 -1.13463297D-05 2.96935321D-06
357424.6400000 1.43681584D-03 4.78460479D-04 2.25898456D-04 1.11059548D-04 -4.54149933D-05 1.18885283D-05
121823.6200000 4.97171565D-03 1.66106124D-03 7.84570831D-04 3.85234083D-04 -1.57364231D-04 4.11803567D-05
45688.2330000 1.51828868D-02 5.12304916D-03 2.42371151D-03 1.19255255D-03 -4.87845777D-04 1.27718551D-04
18572.7720000 4.11449420D-02 1.41796977D-02 6.72919524D-03 3.30635586D-03 -1.35047801D-03 3.53379029D-04
8066.3284000 9.80920806D-02 3.54683435D-02 1.69604351D-02 8.37155411D-03 -3.42825307D-03 8.97734481D-04
3693.4349000 1.98008609D-01 7.87506789D-02 3.82137222D-02 1.88601949D-02 -7.70760162D-03 2.01680298D-03
1762.1595000 3.10081776D-01 1.48782577D-01 7.44645488D-02 3.72119131D-02 -1.52934765D-02 4.00768422D-03
867.3457500 3.13349253D-01 2.05676956D-01 1.08828587D-01 5.46770699D-02 -2.23978401D-02 5.86067100D-03
436.8421500 1.46644326D-01 1.11249951D-01 6.48105489D-02 3.43478071D-02 -1.44438958D-02 3.80599185D-03
223.6815800 1.69120113D-02 -2.80682313D-01 -2.07140942D-01 -1.15141578D-01 4.87794315D-02 -1.28588745D-02
115.8641500 1.12212483D-03 -5.88687209D-01 -6.05270055D-01 -3.55838204D-01 1.50740225D-01 -3.96280327D-02
60.4882450 -6.78088653D-04 -3.04877143D-01 -3.58992484D-01 -2.52753626D-01 1.14926302D-01 -3.06740497D-02
31.7417860 4.60224476D-04 -2.74388446D-02 6.94310889D-01 6.90969150D-01 -3.38311859D-01 9.12550306D-02
16.7114330 -3.89622073D-04 -2.57798416D-03 6.77273117D-01 9.21833864D-01 -4.64364106D-01 1.25095068D-01
8.8158517 2.92434778D-04 1.76386698D-03 9.17454507D-02 -3.97870473D-01 2.37449994D-01 -6.41073081D-02
4.6560883 -2.07850637D-04 -1.02690130D-03 1.65073206D-02 -9.18425176D-01 8.65008570D-01 -2.64074454D-01
2.4606951 1.51687557D-04 7.90543360D-04 -8.62029641D-03 -2.68662370D-01 3.49144792D-01 -1.04852504D-01
1.3008853 -1.08345460D-04 -5.69418831D-04 6.43962291D-03 -5.67775282D-03 -6.59027790D-01 2.46483008D-01
0.68784262 7.52550497D-05 3.88447777D-04 -4.76067901D-03 -6.10398222D-03 -6.60966153D-01 3.43152159D-01
0.36372127 -5.06497693D-05 -2.63852723D-04 3.21142612D-03 2.61840191D-03 -1.92195332D-01 1.89611151D-01
0.19233546 3.17956994D-05 1.65701818D-04 -2.04918373D-03 -1.77206544D-03 -2.12953742D-03 -8.83205566D-02
0.10170760 -1.75268915D-05 -9.15531662D-05 1.13872291D-03 9.53162651D-04 -5.37142627D-03 -4.32770890D-01
0.53783400E-01 7.44764254D-06 3.89743308D-05 -4.86691220D-04 -4.05936450D-04 2.17201815D-03 -4.57754825D-01
0.28440892E-01 -1.77076805D-06 -9.27961544D-06 1.16153580D-04 9.67804466D-05 -5.29516587D-04 -2.55927194D-01
Os P
357424.6400000 8.89386577D-06 -4.45642964D-06 2.16273893D-06 8.17445412D-07
121823.6200000 4.16946867D-05 -2.07811220D-05 1.01146392D-05 3.82939492D-06
45688.2330000 2.22200002D-04 -1.11476790D-04 5.41203586D-05 2.04577375D-05
18572.7720000 9.66869874D-04 -4.83975965D-04 2.35613111D-04 8.91893746D-05
8066.3284000 3.77466630D-03 -1.90599978D-03 9.27200028D-04 3.50681770D-04
3693.4349000 1.31327677D-02 -6.67687125D-03 3.26089922D-03 1.23508800D-03
1762.1595000 4.06037006D-02 -2.11209307D-02 1.03488928D-02 3.92039242D-03
867.3457500 1.08583525D-01 -5.84511103D-02 2.89269099D-02 1.09863324D-02
436.8421500 2.33397810D-01 -1.33438101D-01 6.68877109D-02 2.54622067D-02
223.6815800 3.57149534D-01 -2.18132120D-01 1.11643472D-01 4.27112585D-02
115.8641500 3.05252182D-01 -1.52930421D-01 7.19985410D-02 2.69836233D-02
60.4882450 1.03477184D-01 2.32846413D-01 -1.78872701D-01 -7.39996586D-02
31.7417860 7.68239236D-03 5.70856226D-01 -4.69325895D-01 -1.98670248D-01
16.7114330 4.00350515D-04 3.12947761D-01 -1.27352853D-01 -3.49644959D-02
8.8158517 -2.94340873D-04 4.17183058D-02 5.26105044D-01 2.96558311D-01
4.6560883 8.29741447D-05 3.82248301D-03 5.45239441D-01 3.72854386D-01
2.4606951 -7.33415647D-05 -9.56944147D-04 1.45192029D-01 -6.23781675D-02
1.3008853 4.62825415D-05 6.87077723D-04 9.95023598D-03 -4.92217233D-01
0.68784262 -2.36958259D-05 -4.40606037D-04 6.71012938D-04 -4.58615372D-01
0.36372127 1.13928199D-05 1.88906993D-04 2.09693578D-04 -1.63165385D-01
0.19233546 -2.86067985D-06 -5.22565757D-05 -6.22476105D-05 -2.94063153D-02
Os D
8066.3284000 9.68727720D-05 -4.81035925D-05 1.35504029D-05
3693.4349000 3.56320625D-04 -1.80877947D-04 5.15810405D-05
1762.1595000 1.84225276D-03 -9.20516396D-04 2.59744477D-04
867.3457500 7.75379476D-03 -3.94632472D-03 1.12276673D-03
436.8421500 2.86990149D-02 -1.46215929D-02 4.14607575D-03
223.6815800 8.92342139D-02 -4.65622757D-02 1.32907521D-02
115.8641500 2.13718166D-01 -1.12955706D-01 3.22336300D-02
60.4882450 3.57113771D-01 -1.85957099D-01 5.31133790D-02
31.7417860 3.45473311D-01 -1.25736609D-01 3.21918874D-02
16.7114330 1.44923253D-01 1.80983011D-01 -6.82924457D-02
8.8158517 2.18205520D-02 4.42616454D-01 -1.53026028D-01
4.6560883 1.25638929D-03 3.81734028D-01 -1.21331604D-01
2.4606951 3.08068626D-04 1.35656215D-01 7.23803332D-02
1.3008853 -5.68534328D-05 1.90083747D-02 2.85321662D-01
0.68784262 4.84785727D-05 9.42156719D-04 3.57329455D-01
0.36372127 -3.28579367D-05 3.48475998D-04 2.98908473D-01
0.19233546 1.32301598D-05 -9.18172859D-05 1.51157629D-01
0.10170760 -4.67338651D-06 4.15643116D-05 5.98203814D-02
Os F
867.3457500 1.86860265D-04
436.8421500 7.66413781D-04
223.6815800 3.91660910D-03
115.8641500 1.65025948D-02
60.4882450 5.38240314D-02
31.7417860 1.37958461D-01
16.7114330 2.51870669D-01
8.8158517 3.17674254D-01
4.6560883 2.89995962D-01
2.4606951 1.84347158D-01
1.3008853 7.36386624D-02
0.68784262 2.18615428D-02
end
basis "Ir_WTBS" SPHERICAL
Ir S
94689771.0000000 2.38854663D-06 7.94334575D-07 3.75484964D-07 1.85193661D-07 -7.67017354D-08 2.00317539D-08
19312937.0000000 1.33285288D-05 4.43175193D-06 2.09467947D-06 1.03240113D-06 -4.27339631D-07 1.11583462D-07
4555994.7000000 7.56320660D-05 2.51571083D-05 1.18924429D-05 5.86648674D-06 -2.43006200D-06 6.34675359D-07
1230017.6000000 3.50050183D-04 1.16451247D-04 5.50446263D-05 2.71275533D-05 -1.12279521D-05 2.93166901D-06
375413.9800000 1.39726016D-03 4.65587877D-04 2.20159631D-04 1.08627678D-04 -4.50032016D-05 1.17543417D-05
127789.3000000 4.84910400D-03 1.62104645D-03 7.66794872D-04 3.77881589D-04 -1.56380151D-04 4.08291874D-05
47823.6340000 1.48643126D-02 5.01755332D-03 2.37741628D-03 1.17395243D-03 -4.86537243D-04 1.27091925D-04
19394.0760000 4.04430011D-02 1.39393547D-02 6.62429793D-03 3.26675809D-03 -1.35175344D-03 3.52898863D-04
8404.2078000 9.67964745D-02 3.49823136D-02 1.67519908D-02 8.29778591D-03 -3.44266288D-03 8.99517254D-04
3841.4461000 1.96180052D-01 7.79102857D-02 3.78490789D-02 1.87489745D-02 -7.76226181D-03 2.02638525D-03
1830.8483000 3.08766385D-01 1.47668998D-01 7.39896452D-02 3.71006912D-02 -1.54487127D-02 4.03966403D-03
900.9006100 3.14729209D-01 2.05513844D-01 1.08781425D-01 5.48582021D-02 -2.27649923D-02 5.94243096D-03
453.9605200 1.49811062D-01 1.15229074D-01 6.72042742D-02 3.56755864D-02 -1.51982973D-02 3.99790269D-03
232.7207100 1.79592341D-02 -2.71053713D-01 -1.99777585D-01 -1.11376261D-01 4.78460395D-02 -1.25935081D-02
120.7602100 1.13559433D-03 -5.87042885D-01 -5.99964821D-01 -3.53727123D-01 1.51782929D-01 -3.98050393D-02
63.1866630 -6.73053131D-04 -3.14058278D-01 -3.77909266D-01 -2.65735640D-01 1.22383196D-01 -3.26226536D-02
33.2450730 4.63469820D-04 -3.01465512D-02 6.72657604D-01 6.67796371D-01 -3.31765860D-01 8.94304249D-02
17.5537630 -3.96199540D-04 -2.63369082D-03 6.93828465D-01 9.45149102D-01 -4.82936222D-01 1.29843589D-01
9.2889135 2.98477071D-04 1.79429033D-03 1.01155060D-01 -3.58285067D-01 2.14404878D-01 -5.72924320D-02
4.9217725 -2.12965068D-04 -1.05963227D-03 1.69284936D-02 -9.33248563D-01 8.88994851D-01 -2.72062909D-01
2.6097127 1.55952778D-04 8.23144531D-04 -8.68016121D-03 -2.84830466D-01 3.73238157D-01 -1.11200175D-01
1.3842960 -1.11659374D-04 -5.95463022D-04 6.52667553D-03 -6.59767885D-03 -6.64841006D-01 2.49500047D-01
0.73442114 7.76947900D-05 4.07159217D-04 -4.85336619D-03 -6.57218413D-03 -6.64565179D-01 3.43450721D-01
0.38966943 -5.23593823D-05 -2.76870714D-04 3.27908245D-03 2.82621569D-03 -1.98015058D-01 1.83591828D-01
0.20675729 3.28879427D-05 1.73861538D-04 -2.09442649D-03 -1.91803730D-03 -2.14475260D-03 -7.21756136D-02
0.10970579 -1.81220340D-05 -9.59444360D-05 1.16308069D-03 1.02957195D-03 -5.91326467D-03 -4.27349474D-01
0.58210227E-01 7.68822196D-06 4.07446951D-05 -4.96101383D-04 -4.37573628D-04 2.39322076D-03 -4.39607822D-01
0.30886535E-01 -1.82286287D-06 -9.66749944D-06 1.18017288D-04 1.03971995D-04 -5.83021251D-04 -2.89055165D-01
Ir P
375413.9800000 8.55599040D-06 -4.29411714D-06 2.09302890D-06 8.04137443D-07
127789.3000000 4.02877890D-05 -2.01252173D-05 9.83985180D-06 3.78849539D-06
47823.6340000 2.15554429D-04 -1.08315858D-04 5.28150207D-05 2.02937360D-05
19394.0760000 9.42581987D-04 -4.72811985D-04 2.31211838D-04 8.89987274D-05
8404.2078000 3.69461659D-03 -1.86856973D-03 9.12968447D-04 3.51018263D-04
3841.4461000 1.28957026D-02 -6.56887870D-03 3.22246877D-03 1.24106264D-03
1830.8483000 3.99579858D-02 -2.08146094D-02 1.02432557D-02 3.94481581D-03
900.9006100 1.07058292D-01 -5.77166319D-02 2.86899838D-02 1.10798135D-02
453.9605200 2.30742853D-01 -1.32046184D-01 6.64757479D-02 2.57269573D-02
232.7207100 3.55189544D-01 -2.17301190D-01 1.11730061D-01 4.34721516D-02
120.7602100 3.07776510D-01 -1.57064854D-01 7.48171461D-02 2.85430199D-02
63.1866630 1.07212031D-01 2.21772598D-01 -1.72151963D-01 -7.25133704D-02
33.2450730 8.38456724D-03 5.68189685D-01 -4.68986558D-01 -2.02196800D-01
17.5537630 4.33248071D-04 3.22747248D-01 -1.45411086D-01 -4.41670676D-02
9.2889135 -3.14346303D-04 4.52111491D-02 5.15329307D-01 2.96653045D-01
4.9217725 9.66135170D-05 4.06329373D-03 5.55826306D-01 3.88820870D-01
2.6097127 -8.38709266D-05 -1.02756574D-03 1.51880178D-01 -5.78850210D-02
1.3842960 5.38601587D-05 7.31190773D-04 1.06584282D-02 -4.97667984D-01
0.73442114 -2.76341577D-05 -4.76710843D-04 7.60470154D-04 -4.59026307D-01
0.38966943 1.33265463D-05 2.02969385D-04 2.22257625D-04 -1.63126224D-01
0.20675729 -3.32738587D-06 -5.64807061D-05 -5.53052319D-05 -2.96354837D-02
Ir D
8404.2078000 9.43910793D-05 -4.72274507D-05 1.37788342D-05
3841.4461000 3.49343654D-04 -1.78540494D-04 5.27444990D-05
1830.8483000 1.80908562D-03 -9.10777314D-04 2.66190104D-04
900.9006100 7.61849059D-03 -3.90492475D-03 1.15091244D-03
453.9605200 2.82199402D-02 -1.44840716D-02 4.25442558D-03
232.7207100 8.77860162D-02 -4.61336030D-02 1.36429321D-02
120.7602100 2.10827896D-01 -1.12285417D-01 3.31987430D-02
63.1866630 3.54333868D-01 -1.86152883D-01 5.51034979D-02
33.2450730 3.47124767D-01 -1.29842713D-01 3.45975539D-02
17.5537630 1.49109586D-01 1.73773155D-01 -6.88004881D-02
9.2889135 2.31756677D-02 4.41364291D-01 -1.59149033D-01
4.9217725 1.35134798D-03 3.86359640D-01 -1.28446613D-01
2.6097127 2.90042327D-04 1.37589665D-01 7.70575365D-02
1.3842960 -4.96593441D-05 1.92537065D-02 2.95107436D-01
0.73442114 3.84611690D-05 9.95303891D-04 3.57834991D-01
0.38966943 -2.91591941D-05 4.27093343D-04 2.92570876D-01
0.20675729 1.03704143D-05 -6.66052905D-05 1.45520617D-01
0.10970579 -4.17783894D-06 5.56972246D-05 5.76295295D-02
Ir F
900.9006100 1.87895825D-04
453.9605200 7.69440207D-04
232.7207100 3.93113554D-03
120.7602100 1.65362192D-02
63.1866630 5.39939558D-02
33.2450730 1.38492965D-01
17.5537630 2.53311485D-01
9.2889135 3.20010187D-01
4.9217725 2.90543840D-01
2.6097127 1.79767371D-01
1.3842960 6.86732579D-02
0.73442114 1.89478008D-02
end
basis "Pt_WTBS" SPHERICAL
Pt S
97069151.0000000 2.37020879D-06 7.88766984D-07 3.73412082D-07 1.84836236D-07 -7.74741629D-08 2.01350354D-08
20323110.0000000 1.26998799D-05 4.22558057D-06 2.00011815D-06 9.89356285D-07 -4.14426436D-07 1.07677493D-07
4876833.2000000 7.11151091D-05 2.36704146D-05 1.12065476D-05 5.54809153D-06 -2.32583187D-06 6.04507257D-07
1328855.7000000 3.26711374D-04 1.08758005D-04 5.14819670D-05 2.54636967D-05 -1.06655349D-05 2.77105544D-06
406753.5500000 1.30559696D-03 4.35291689D-04 2.06143552D-04 1.02077246D-04 -4.27981983D-05 1.11243225D-05
138201.1600000 4.56029489D-03 1.52512200D-03 7.22421005D-04 3.57309620D-04 -1.49638743D-04 3.88754469D-05
51463.8230000 1.41178668D-02 4.76549355D-03 2.26123086D-03 1.12052983D-03 -4.69977798D-04 1.22174517D-04
20733.4110000 3.88558214D-02 1.33826592D-02 6.36735707D-03 3.15150769D-03 -1.31969779D-03 3.42813367D-04
8922.7141000 9.41065542D-02 3.39405974D-02 1.62722730D-02 8.08772403D-03 -3.39577903D-03 8.83024775D-04
4053.0081000 1.92965716D-01 7.63343188D-02 3.71085516D-02 1.84487558D-02 -7.72948450D-03 2.00766002D-03
1922.1628000 3.07373665D-01 1.45994102D-01 7.31878719D-02 3.68154076D-02 -1.55139575D-02 4.03776329D-03
942.7584800 3.18020227D-01 2.05750220D-01 1.08843974D-01 5.50899085D-02 -2.31345706D-02 6.00721238D-03
474.3600500 1.54960439D-01 1.21260406D-01 7.07506881D-02 3.75907535D-02 -1.61991820D-02 4.24537288D-03
243.2441900 1.94974956D-02 -2.57924876D-01 -1.89590679D-01 -1.05961226D-01 4.61148744D-02 -1.20965742D-02
126.4500400 1.17454869D-03 -5.84291463D-01 -5.91604932D-01 -3.49519461D-01 1.51700405D-01 -3.95593287D-02
66.3699520 -6.79682059D-04 -3.26385230D-01 -4.02728175D-01 -2.82353346D-01 1.31505609D-01 -3.49519401D-02
35.0649750 4.80582415D-04 -3.43828562D-02 6.38190326D-01 6.29774368D-01 -3.17091472D-01 8.52885957D-02
18.6061970 -4.16686309D-04 -2.65953871D-03 7.16502581D-01 9.73296993D-01 -5.03306167D-01 1.34473840D-01
9.9001060 3.16266282D-04 1.77478028D-03 1.16804252D-01 -2.89746314D-01 1.71851009D-01 -4.45185823D-02
5.2765871 -2.27743054D-04 -1.06187743D-03 1.77625323D-02 -9.48039161D-01 9.00222755D-01 -2.75408115D-01
2.8150788 1.68005733D-04 8.41169314D-04 -8.70288227D-03 -3.18701918D-01 4.28818437D-01 -1.26500504D-01
1.5026560 -1.20941504D-04 -6.12576456D-04 6.64504865D-03 -8.21447813D-03 -6.44584716D-01 2.38775926D-01
0.80231679 8.45453334D-05 4.20438477D-04 -4.98739911D-03 -8.13395052D-03 -6.80469413D-01 3.46364956D-01
0.42843613 -5.71682976D-05 -2.86826108D-04 3.37806395D-03 3.71138518D-03 -2.21346343D-01 1.79990056D-01
0.22879584 3.59675310D-05 1.80129599D-04 -2.16173247D-03 -2.52588324D-03 -3.77637675D-03 -2.69001726D-02
0.12218490 -1.98074300D-05 -9.92106917D-05 1.19881731D-03 1.36205144D-03 -6.91621736D-03 -4.25163684D-01
0.65251259E-01 8.37638599D-06 4.19448419D-05 -5.09374159D-04 -5.78254986D-04 2.78416008D-03 -3.96349236D-01
0.34846613E-01 -1.97490357D-06 -9.88694331D-06 1.20429897D-04 1.36754282D-04 -6.76756289D-04 -3.63685947D-01
Pt P
406753.5500000 7.78717572D-06 -3.91358009D-06 1.91540221D-06 7.46662952D-07
138201.1600000 3.69614533D-05 -1.85088419D-05 9.09228957D-06 3.55613960D-06
51463.8230000 1.99875392D-04 -1.00566542D-04 4.92402477D-05 1.91981798D-05
20733.4110000 8.86414264D-04 -4.45597345D-04 2.18896739D-04 8.55718966D-05
8922.7141000 3.52024296D-03 -1.78255291D-03 8.74605778D-04 3.41264162D-04
4053.0081000 1.24299897D-02 -6.34270104D-03 3.12534509D-03 1.22227917D-03
1922.1628000 3.88590227D-02 -2.02590315D-02 1.00112886D-02 3.91305333D-03
942.7584800 1.04819393D-01 -5.65690632D-02 2.82416359D-02 1.10751743D-02
474.3600500 2.27264812D-01 -1.30077356D-01 6.57492115D-02 2.58263506D-02
243.2441900 3.52784246D-01 -2.16127016D-01 1.11633694D-01 4.41177101D-02
126.4500400 3.11187027D-01 -1.62439496D-01 7.83993570D-02 3.03928662D-02
66.3699520 1.12435182D-01 2.05682857D-01 -1.61687975D-01 -6.91964005D-02
35.0649750 9.51498188D-03 5.62608263D-01 -4.65793620D-01 -2.04306661D-01
18.6061970 4.65321853D-04 3.37236065D-01 -1.72439066D-01 -5.79765942D-02
9.9001060 -3.25786187D-04 5.12195309D-02 4.92607333D-01 2.88528860D-01
5.2765871 1.03689651D-04 4.51417377D-03 5.71007873D-01 4.06572293D-01
2.8150788 -9.15930548D-05 -1.10043214D-03 1.67341570D-01 -3.54458799D-02
1.5026560 5.95701946D-05 7.91739039D-04 1.22945205D-02 -4.91869230D-01
0.80231679 -3.04018140D-05 -5.24809482D-04 1.13247075D-03 -4.67306158D-01
0.42843613 1.47541327D-05 2.21427729D-04 1.47879712D-04 -1.73349053D-01
0.22879584 -3.62796480D-06 -6.20022298D-05 -1.93371369D-05 -3.34573873D-02
Pt D
8922.7141000 8.81841133D-05 -4.44666234D-05 1.33931742D-05
4053.0081000 3.34395277D-04 -1.71910105D-04 5.23936747D-05
1922.1628000 1.74292845D-03 -8.84288493D-04 2.66825037D-04
942.7584800 7.39172779D-03 -3.81343639D-03 1.15986601D-03
474.3600500 2.75007035D-02 -1.42184746D-02 4.31129767D-03
243.2441900 8.57094251D-02 -4.53414728D-02 1.38398098D-02
126.4500400 2.06599616D-01 -1.10867647D-01 3.38436388D-02
66.3699520 3.49779289D-01 -1.85425807D-01 5.66765601D-02
35.0649750 3.49183412D-01 -1.35696782D-01 3.76829058D-02
18.6061970 1.55800956D-01 1.60489766D-01 -6.68230332D-02
9.9001060 2.56282826D-02 4.35391714D-01 -1.63115175D-01
5.2765871 1.55260382D-03 3.94149449D-01 -1.37686669D-01
2.8150788 2.78751899D-04 1.45093324D-01 7.29492975D-02
1.5026560 -3.79223738D-05 2.10259523D-02 2.97326826D-01
0.80231679 2.60380240D-05 1.27191870D-03 3.56657593D-01
0.42843613 -2.46994064D-05 4.94514108D-04 2.92060679D-01
0.22879584 6.59756092D-06 -1.13875787D-05 1.44566627D-01
0.12218490 -3.64533828D-06 6.91100662D-05 6.06908947D-02
Pt F
942.7584800 1.84878615D-04
474.3600500 7.62365431D-04
243.2441900 3.89455753D-03
126.4500400 1.63559651D-02
66.3699520 5.34283392D-02
35.0649750 1.37098219D-01
18.6061970 2.51896910D-01
9.9001060 3.20289633D-01
5.2765871 2.91535127D-01
2.8150788 1.78548318D-01
1.5026560 6.65558951D-02
0.80231679 1.79704250D-02
end
basis "Au_WTBS" SPHERICAL
Au S
103551660.0000000 2.27539465D-06 7.57710035D-07 3.59232844D-07 1.78454506D-07 -7.56266228D-08 1.95189490D-08
21175219.0000000 1.26496489D-05 4.21166173D-06 1.99633936D-06 9.91041961D-07 -4.19707253D-07 1.08294137D-07
5001590.6000000 7.17414541D-05 2.38944757D-05 1.13292700D-05 5.62891219D-06 -2.38583609D-06 6.15816311D-07
1350617.9000000 3.32165108D-04 1.10647406D-04 5.24497248D-05 2.60355939D-05 -1.10250952D-05 2.84461603D-06
412024.2900000 1.32745187D-03 4.42878229D-04 2.10048778D-04 1.04384186D-04 -4.42508973D-05 1.14224963D-05
140132.8500000 4.61440787D-03 1.54433675D-03 7.32539915D-04 3.63612072D-04 -1.53949323D-04 3.97175754D-05
52396.3380000 1.41708258D-02 4.78706582D-03 2.27495854D-03 1.13140912D-03 -4.79827903D-04 1.23876086D-04
21234.2880000 3.86461078D-02 1.33201264D-02 6.34622742D-03 3.15222387D-03 -1.33440469D-03 3.44218896D-04
9199.4532000 9.28268417D-02 3.34895832D-02 1.60807643D-02 8.02171142D-03 -3.40588146D-03 8.79581263D-04
4206.2952000 1.89468269D-01 7.48603798D-02 3.64292957D-02 1.81739406D-02 -7.69665293D-03 1.98513670D-03
2006.6241000 3.02629854D-01 1.43035357D-01 7.17658381D-02 3.62275201D-02 -1.54396065D-02 3.99108791D-03
988.9349200 3.18433197D-01 2.03799000D-01 1.07707058D-01 5.46838780D-02 -2.32059698D-02 5.98315548D-03
499.3845400 1.61455484D-01 1.28855123D-01 7.51171113D-02 3.99686069D-02 -1.74188637D-02 4.53372496D-03
256.6822700 2.21215938D-02 -2.37404521D-01 -1.73497595D-01 -9.72264077D-02 4.28677880D-02 -1.11765868D-02
133.6009200 1.18749788D-03 -5.81277027D-01 -5.79880623D-01 -3.42689802D-01 1.50195056D-01 -3.88879937D-02
70.1422110 -6.33438681D-04 -3.45031568D-01 -4.36028866D-01 -3.04379201D-01 1.43131966D-01 -3.77727739D-02
37.0389810 4.54491384D-04 -3.95777917D-02 6.04186095D-01 5.92492358D-01 -3.02035447D-01 8.07715727D-02
19.6317620 -4.00820030D-04 -2.87123766D-03 7.41880026D-01 1.00479768D+00 -5.25551011D-01 1.39566998D-01
10.4295780 3.03781716D-04 1.91163747D-03 1.28911349D-01 -2.47498480D-01 1.45614842D-01 -3.68868782D-02
5.5484649 -2.17999527D-04 -1.18469403D-03 1.85890825D-02 -9.65695585D-01 9.28094087D-01 -2.82728503D-01
2.9540414 1.60645984D-04 9.42586809D-04 -9.00812494D-03 -3.30163320D-01 4.42747884D-01 -1.29376338D-01
1.5733993 -1.15414938D-04 -6.88999860D-04 6.89258090D-03 -8.51315548D-03 -6.65370755D-01 2.47302518D-01
0.83820185 8.04860258D-05 4.74733665D-04 -5.18656225D-03 -8.37024125D-03 -6.77968883D-01 3.43263094D-01
0.44657751 -5.43274703D-05 -3.23868593D-04 3.51730058D-03 3.78099042D-03 -2.15642572D-01 1.73294333D-01
0.23793590 3.41387056D-05 2.03648285D-04 -2.25238223D-03 -2.56366105D-03 -2.02943919D-03 -3.15570706D-02
0.12677333 -1.87956532D-05 -1.12314834D-04 1.25060129D-03 1.38053427D-03 -7.30554390D-03 -4.22872510D-01
0.67545585E-01 7.95544120D-06 4.75836448D-05 -5.32328965D-04 -5.86315294D-04 2.97932732D-03 -3.92755275D-01
0.35988705E-01 -1.87913197D-06 -1.12466325D-05 1.26163154D-04 1.38893995D-04 -7.26008350D-04 -3.63799889D-01
Au P
412024.2900000 7.97388443D-06 -4.01324821D-06 1.97185564D-06 7.79053158D-07
140132.8500000 3.76532655D-05 -1.88972582D-05 9.32871558D-06 3.70106132D-06
52396.3380000 2.01678502D-04 -1.01628279D-04 4.99542428D-05 1.97394960D-05
21234.2880000 8.83448999D-04 -4.45021912D-04 2.19654301D-04 8.70910146D-05
9199.4532000 3.46536673D-03 -1.75757626D-03 8.65811322D-04 3.42427543D-04
4206.2952000 1.21115847D-02 -6.19146938D-03 3.06498449D-03 1.21565255D-03
2006.6241000 3.75968931D-02 -1.96232091D-02 9.73580473D-03 3.85737540D-03
988.9349200 1.01279536D-01 -5.46971561D-02 2.74268931D-02 1.09074222D-02
499.3845400 2.20879934D-01 -1.26352160D-01 6.40990701D-02 2.55220396D-02
256.6822700 3.48638900D-01 -2.13649743D-01 1.10838903D-01 4.44278975D-02
133.6009200 3.17337949D-01 -1.70738647D-01 8.37113559D-02 3.29800076D-02
70.1422110 1.20394338D-01 1.85995185D-01 -1.48670870D-01 -6.46192941D-02
37.0389810 1.09101807D-02 5.60238820D-01 -4.64996484D-01 -2.07076680D-01
19.6317620 5.52966842D-04 3.52971938D-01 -1.97026613D-01 -7.08983797D-02
10.4295780 -3.82766283D-04 5.56935658D-02 4.83321914D-01 2.88498202D-01
5.5484649 1.45454873D-04 4.99717122D-03 5.83314676D-01 4.23209225D-01
2.9540414 -1.22110323D-04 -1.33427717D-03 1.71695531D-01 -3.71984602D-02
1.5733993 8.05422170D-05 9.40434052D-04 1.23812414D-02 -5.04695128D-01
0.83820185 -4.21145976D-05 -6.23988794D-04 1.21675868D-03 -4.64379023D-01
0.44657751 2.02677227D-05 2.65693004D-04 1.42677600D-04 -1.67478011D-01
0.23793590 -5.06840249D-06 -7.43989258D-05 -1.07766665D-05 -3.06446258D-02
Au D
9199.4532000 8.76905754D-05 -4.45465377D-05 1.38140033D-05
4206.2952000 3.23693700D-04 -1.67476992D-04 5.25490862D-05
2006.6241000 1.67915064D-03 -8.58004906D-04 2.66519290D-04
988.9349200 7.06058204D-03 -3.66644731D-03 1.14805724D-03
499.3845400 2.62657123D-02 -1.36723291D-02 4.26800600D-03
256.6822700 8.22630536D-02 -4.37858743D-02 1.37590863D-02
133.6009200 2.00737337D-01 -1.08487689D-01 3.41019710D-02
70.1422110 3.46041276D-01 -1.85167322D-01 5.82972875D-02
37.0389810 3.54240005D-01 -1.42909456D-01 4.12536670D-02
19.6317620 1.63042941D-01 1.50776719D-01 -6.58102268D-02
10.4295780 2.74116899D-02 4.36656100D-01 -1.69457499D-01
5.5484649 1.72164482D-03 4.00511245D-01 -1.45007907D-01
2.9540414 2.07864485D-04 1.45695620D-01 8.03205676D-02
1.5733993 2.20550737D-06 2.05380503D-02 3.10091877D-01
0.83820185 -1.02030842D-05 1.38196992D-03 3.60307348D-01
0.44657751 -8.43411698D-06 6.12030555D-04 2.84206868D-01
0.23793590 -3.88856144D-06 5.31822836D-05 1.36965088D-01
0.12677333 -1.41532769D-06 8.90569392D-05 5.32472216D-02
Au F
988.9349200 1.79665420D-04
499.3845400 7.34863870D-04
256.6822700 3.75826700D-03
133.6009200 1.58853555D-02
70.1422110 5.24984715D-02
37.0389810 1.36310041D-01
19.6317620 2.53422985D-01
10.4295780 3.24464138D-01
5.5484649 2.93879423D-01
2.9540414 1.74414191D-01
1.5733993 6.18198480D-02
0.83820185 1.52639836D-02
end
basis "Hg_WTBS" SPHERICAL
Hg S
96293620.0000000 2.57855259D-06 8.59206270D-07 4.07904885D-07 -2.03342085D-07 -8.70379119D-08 -2.22422106D-08
19555636.0000000 1.44726738D-05 4.82180098D-06 2.28890120D-06 -1.14038834D-06 -4.87868677D-07 -1.24658653D-07
4607673.0000000 8.20525995D-05 2.73463918D-05 1.29832355D-05 -6.47309035D-06 -2.77107571D-06 -7.08157498D-07
1245720.3000000 3.78382538D-04 1.26133214D-04 5.98795569D-05 -2.98315919D-05 -1.27612575D-05 -3.26066131D-06
381541.5300000 1.50071886D-03 5.01097018D-04 2.37978823D-04 -1.18673802D-04 -5.08105438D-05 -1.29851938D-05
130537.1300000 5.16432204D-03 1.73044632D-03 8.22131302D-04 -4.09581112D-04 -1.75185216D-04 -4.47605926D-05
49154.8270000 1.56716338D-02 5.30438029D-03 2.52450817D-03 -1.25988449D-03 -5.39627910D-04 -1.37918371D-04
20071.1270000 4.21528729D-02 1.45814898D-02 6.96140923D-03 -3.47097070D-03 -1.48448706D-03 -3.79281744D-04
8760.5591000 9.95980291D-02 3.61740625D-02 1.74071707D-02 -8.71479320D-03 -3.73685635D-03 -9.55269688D-04
4033.8159000 1.99013254D-01 7.96073468D-02 3.88794081D-02 -1.94788765D-02 -8.33608578D-03 -2.12999879D-03
1936.6618000 3.08481558D-01 1.48933705D-01 7.50681509D-02 -3.80537849D-02 -1.63793665D-02 -4.19003026D-03
959.8958000 3.09980224D-01 2.04423929D-01 1.08921280D-01 -5.56062621D-02 -2.38597329D-02 -6.09852029D-03
487.1595800 1.46386430D-01 1.11766600D-01 6.56168038D-02 -3.51810242D-02 -1.55026806D-02 -3.98378669D-03
251.5140500 1.77701531D-02 -2.69817478D-01 -2.00532285D-01 1.13010231D-01 5.02220165D-02 1.29216094D-02
131.4338200 1.08394461D-03 -5.82150020D-01 -5.98048322D-01 3.57761671D-01 1.59003333D-01 4.08769011D-02
69.2566110 -6.26123147D-04 -3.17779205D-01 -3.87240554D-01 2.74530035D-01 1.30891493D-01 3.40869005D-02
36.6964560 4.29733846D-04 -3.23526735D-02 6.55976369D-01 -6.58869813D-01 -3.40095700D-01 -8.97434613D-02
19.5139200 -3.72286142D-04 -2.60155606D-03 7.04551931D-01 -9.71765022D-01 -5.17079838D-01 -1.36943621D-01
10.4000870 2.82129278D-04 1.76970285D-03 1.12473663D-01 3.25562434D-01 1.99231706D-01 5.27237683D-02
5.5502436 -2.02146119D-04 -1.05394418D-03 1.63701200D-02 9.60413128D-01 9.73223477D-01 2.93886642D-01
2.9642867 1.49485057D-04 8.29633826D-04 -8.16947885D-03 2.89323694D-01 3.62668534D-01 1.04856421D-01
1.5838295 -1.08516717D-04 -6.11334893D-04 6.19438527D-03 9.94349890D-03 -7.10455627D-01 -2.72749121D-01
0.84642317 7.71156078D-05 4.27012171D-04 -4.75214704D-03 5.09550318D-03 -6.49050045D-01 -3.17839638D-01
0.45238567 -5.39435589D-05 -3.01471342D-04 3.33270726D-03 -1.65255934D-03 -1.91121327D-01 -1.83783621D-01
0.24179521 3.62814727D-05 2.02751860D-04 -2.28177990D-03 1.24607258D-03 2.51296011D-04 9.17936646D-02
0.12923879 -2.27693136D-05 -1.27415544D-04 1.44391553D-03 -7.28402783D-04 -8.01521962D-03 3.45258336D-01
0.69078028E-01 1.25078835D-05 7.00499623D-05 -7.97740365D-04 3.94875069D-04 4.30429084D-03 4.83350942D-01
0.36922185E-01 -5.27830816D-06 -2.95762871D-05 3.37840638D-04 -1.65557414D-04 -1.87098138D-03 2.72892746D-01
0.19734899E-01 1.24215421D-06 6.96224604D-06 -7.96748257D-05 3.88704977D-05 4.50059972D-04 3.83277672D-02
Hg P
381541.5300000 9.53372056D-06 -4.81038380D-06 2.37760865D-06 9.52830730D-07
130537.1300000 4.42039214D-05 -2.22043039D-05 1.09864369D-05 4.40491808D-06
49154.8270000 2.34150824D-04 -1.18304981D-04 5.84942100D-05 2.34435097D-05
20071.1270000 1.00899829D-03 -5.08988503D-04 2.51995606D-04 1.01044698D-04
8760.5591000 3.90091340D-03 -1.98439423D-03 9.82977612D-04 3.94135100D-04
4033.8159000 1.34163369D-02 -6.87586779D-03 3.41622527D-03 1.37087019D-03
1936.6618000 4.09910803D-02 -2.14936211D-02 1.07251576D-02 4.30744867D-03
959.8958000 1.08307375D-01 -5.87970639D-02 2.96150088D-02 1.19198945D-02
487.1595800 2.30691016D-01 -1.32989764D-01 6.79212943D-02 2.74215729D-02
251.5140500 3.52220724D-01 -2.16945392D-01 1.13048727D-01 4.58503450D-02
131.4338200 3.05582974D-01 -1.57152874D-01 7.60759104D-02 3.03114686D-02
69.2566110 1.08407586D-01 2.16778131D-01 -1.72405490D-01 -7.62016351D-02
36.6964560 8.85748399D-03 5.63954511D-01 -4.72769969D-01 -2.13205300D-01
19.5139200 4.52300744D-04 3.28588472D-01 -1.59297314D-01 -5.31850858D-02
10.4000870 -3.34310920D-04 4.88715132D-02 5.12786277D-01 3.14057732D-01
5.5502436 1.10327243D-04 3.89962949D-03 5.66926482D-01 4.22649595D-01
2.9642867 -9.20012192D-05 -9.21272894D-04 1.50135905D-01 -8.47702167D-02
1.5838295 6.19359944D-05 6.09955911D-04 1.17361120D-02 -5.21453417D-01
0.84642317 -3.09418142D-05 -4.31529251D-04 2.57774118D-04 -4.45172176D-01
0.45238567 1.51952378D-05 1.74913392D-04 5.62835847D-04 -1.49807246D-01
0.24179521 -3.71404130D-06 -4.99681774D-05 -1.23714429D-04 -2.61518881D-02
Hg D
20071.1270000 1.69660633D-05 -8.89734806D-06 2.86875784D-06
8760.5591000 7.15155337D-05 -3.60828721D-05 1.12975148D-05
4033.8159000 4.14271925D-04 -2.16600833D-04 6.95905383D-05
1936.6618000 1.86173875D-03 -9.56342680D-04 3.02709674D-04
959.8958000 7.94087891D-03 -4.16147993D-03 1.33223572D-03
487.1595800 2.87523814D-02 -1.50780447D-02 4.80333588D-03
251.5140500 8.85042132D-02 -4.75738773D-02 1.52817051D-02
131.4338200 2.10388711D-01 -1.14558426D-01 3.67601659D-02
69.2566110 3.52094121D-01 -1.89299538D-01 6.08877855D-02
36.6964560 3.44917389D-01 -1.31304228D-01 3.75229907D-02
19.5139200 1.50155888D-01 1.73861721D-01 -7.61502854D-02
10.4000870 2.39541554D-02 4.46968692D-01 -1.78490725D-01
5.5502436 1.30293858D-03 3.87096331D-01 -1.39270302D-01
2.9642867 2.80280058D-04 1.29440721D-01 1.07222165D-01
1.5838295 -6.97013386D-05 1.72554156D-02 3.26994971D-01
0.84642317 4.92325045D-05 3.71840464D-04 3.58882295D-01
0.45238567 -3.05132024D-05 5.16949874D-04 2.68293847D-01
0.24179521 1.43096195D-05 -2.17829301D-04 1.24206834D-01
0.12923879 -4.11344214D-06 6.50710564D-05 4.36812143D-02
Hg F
1936.6618000 3.56791119D-05
959.8958000 1.46966278D-04
487.1595800 9.30093424D-04
251.5140500 4.20692308D-03
131.4338200 1.78309222D-02
69.2566110 5.73003881D-02
36.6964560 1.45812723D-01
19.5139200 2.62819476D-01
10.4000870 3.27881642D-01
5.5502436 2.86337995D-01
2.9642867 1.59657359D-01
1.5838295 5.26540240D-02
0.84642317 1.17324360D-02
end
basis "Tl_WTBS" SPHERICAL
Tl S
0.10945911E+09 2.26158117D-06 7.54019715D-07 3.58374233D-07 -1.79233222D-07 -7.78429292D-08 2.23252557D-08
22248380.0000000 1.27551529D-05 4.25255990D-06 2.02218892D-06 -1.01152441D-06 -4.39560726D-07 1.26094321D-07
5181281.8000000 7.40081108D-05 2.46783569D-05 1.17282599D-05 -5.86545961D-06 -2.54713031D-06 7.30477944D-07
1370380.7000000 3.53851151D-04 1.18036494D-04 5.61367725D-05 -2.80814065D-05 -1.22036667D-05 3.50088940D-06
407442.8400000 1.46778115D-03 4.90309538D-04 2.33060248D-04 -1.16560844D-04 -5.06134565D-05 1.45146176D-05
134635.4900000 5.30864235D-03 1.78012618D-03 8.47397785D-04 -4.23996545D-04 -1.84295757D-04 5.28727729D-05
48844.3240000 1.69365833D-02 5.73789858D-03 2.73285655D-03 -1.36742836D-03 -5.93725942D-04 1.70254895D-04
19211.8640000 4.76211155D-02 1.65318095D-02 7.91400362D-03 -3.96528428D-03 -1.72458810D-03 4.94853043D-04
8091.3614000 1.15978741D-01 4.25310305D-02 2.05008622D-02 -1.02875472D-02 -4.46821698D-03 1.28124573D-03
3605.9814000 2.31890148D-01 9.53203015D-02 4.68916644D-02 -2.36527315D-02 -1.03094754D-02 2.95975531D-03
1682.0961000 3.39537774D-01 1.74326802D-01 8.87168328D-02 -4.51118586D-02 -1.96361235D-02 5.63131952D-03
813.4231400 2.88020476D-01 2.10562409D-01 1.15463745D-01 -5.98507818D-02 -2.63320608D-02 7.57736356D-03
404.4180000 9.41112282D-02 2.15388083D-02 1.06143341D-02 -5.45513782D-03 -2.11244762D-03 5.73022808D-04
205.3091400 5.24169135D-03 -4.40328785D-01 -3.58478393D-01 2.04869628D-01 9.12240058D-02 -2.62329012D-02
105.8377900 5.32078521D-04 -5.54384915D-01 -6.63726195D-01 4.21386508D-01 1.95802229D-01 -5.69480011D-02
55.1615910 -2.98777960D-04 -1.67345374D-01 1.17615024D-02 -2.20381669D-02 -1.52390068D-02 4.95645162D-03
28.9702330 1.11006391D-04 -7.17421349D-03 8.87282686D-01 -1.02890630D+00 -5.41626733D-01 1.60115241D-01
15.2937230 -8.32520175D-05 2.44268312D-04 4.06949740D-01 -5.21230939D-01 -3.05010345D-01 9.41274281D-02
8.1011289 6.27135616D-05 -3.07367963D-04 3.68910286D-02 8.46060054D-01 6.62036558D-01 -2.14542428D-01
4.3003763 -3.95960415D-05 5.38444857D-04 -5.19133972D-04 7.12819151D-01 9.31745229D-01 -3.26058361D-01
2.2857507 2.86197676D-05 -4.42371950D-04 1.86010522D-03 6.31286262D-02 -2.83765417D-01 1.32576756D-01
1.2158331 -2.13059547D-05 3.29265769D-04 -1.82882663D-03 2.05795820D-02 -8.24759592D-01 3.90186758D-01
0.64698377 1.52703312D-05 -2.49974792D-04 1.27177890D-03 -1.10400865D-02 -4.10620496D-01 3.37144262D-01
0.34434999 -1.07815508D-05 1.75220832D-04 -9.21219348D-04 8.27507712D-03 -2.90557477D-02 1.45650910D-03
0.18329320 7.07107450D-06 -1.14674483D-04 5.93658838D-04 -5.26701553D-03 -1.02383232D-02 -3.59317080D-01
0.97568223E-01 -4.03305569D-06 6.53968486D-05 -3.32293853D-04 2.94883953D-03 5.07417216D-03 -5.25058643D-01
0.51936861E-01 1.75288784D-06 -2.84764065D-05 1.42473540D-04 -1.26709858D-03 -2.30870156D-03 -3.01304776D-01
0.27646766E-01 -4.21347764D-07 6.87635375D-06 -3.38973999D-05 3.01453110D-04 5.48601254D-04 -4.88002089D-02
Tl P
134635.4900000 6.04689858D-05 3.04316040D-05 1.50606516D-05 -6.13258277D-06 1.31049676D-06
48844.3240000 2.39205807D-04 1.21243335D-04 6.05151519D-05 -2.48859535D-05 5.33041101D-06
19211.8640000 1.20618777D-03 6.09095086D-04 3.01600652D-04 -1.22784024D-04 2.62364247D-05
8091.3614000 4.84145478D-03 2.47172087D-03 1.23424796D-03 -5.06875807D-04 1.08530042D-04
3605.9814000 1.74978080D-02 9.00196469D-03 4.48066156D-03 -1.82798074D-03 3.90762472D-04
1682.0961000 5.47324595D-02 2.89725914D-02 1.45849252D-02 -5.99666442D-03 1.28408647D-03
813.4231400 1.42993838D-01 7.88030702D-02 3.98841659D-02 -1.63370599D-02 3.49439516D-03
404.4180000 2.86148563D-01 1.69305254D-01 8.76997562D-02 -3.63106799D-02 7.78328279D-03
205.3091400 3.73440260D-01 2.31092577D-01 1.20343815D-01 -4.94724663D-02 1.05834875D-02
105.8377900 2.40181565D-01 5.36369148D-02 1.20269985D-02 -4.02639021D-03 8.49593358D-04
55.1615910 5.05463285D-02 -4.13845887D-01 -3.30759548D-01 1.51723689D-01 -3.30093074D-02
28.9702330 2.08609062D-03 -5.36373437D-01 -4.48209312D-01 2.01487161D-01 -4.35664940D-02
15.2937230 -3.12066836D-04 -1.71252414D-01 1.58980596D-01 -1.11092979D-01 2.51505311D-02
8.1011289 1.63583704D-04 -1.70208913D-02 6.53667328D-01 -4.50120577D-01 1.04328028D-01
4.3003763 -2.14070575D-04 1.66808440D-03 3.76210129D-01 -2.53163416D-01 5.62081111D-02
2.2857507 1.61238518D-04 -1.80303511D-03 4.11843248D-02 3.84391001D-01 -1.10548734D-01
1.2158331 -1.11935971D-04 1.48318489D-03 8.96947100D-03 5.47577021D-01 -1.61451096D-01
0.64698377 8.32184203D-05 -1.02819208D-03 -4.19200033D-03 2.91820126D-01 -1.04005064D-01
0.34434999 -5.71131486D-05 7.43526194D-04 3.29735270D-03 4.55238338D-02 4.42586123D-02
0.18329320 3.86840183D-05 -5.04394648D-04 -2.26167880D-03 9.35256510D-03 2.24097203D-01
0.97568223E-01 -2.46279524D-05 3.22944056D-04 1.45199379D-03 -2.62134054D-03 3.70712148D-01
0.51936861E-01 1.40094722D-05 -1.84637953D-04 -8.40926020D-04 2.13202133D-03 3.52226683D-01
0.27646766E-01 -6.32440795D-06 8.34560487D-05 3.81253418D-04 -9.08856621D-04 1.55338839D-01
0.14716794E-01 1.65966106D-06 -2.19386966D-05 -1.00673024D-04 2.56108940D-04 1.67488989D-02
Tl D
19211.8640000 1.99383638D-05 -1.05351414D-05 3.57871724D-06
8091.3614000 9.69836848D-05 -4.93533464D-05 1.62648935D-05
3605.9814000 5.79186102D-04 -3.04634924D-04 1.02942531D-04
1682.0961000 2.78062011D-03 -1.44098515D-03 4.80156545D-04
813.4231400 1.20908694D-02 -6.39028034D-03 2.15278446D-03
404.4180000 4.37008724D-02 -2.31856210D-02 7.77863716D-03
205.3091400 1.28352557D-01 -7.00338605D-02 2.37090288D-02
105.8377900 2.75500422D-01 -1.51039723D-01 5.09929526D-02
55.1615910 3.85579801D-01 -1.99468914D-01 6.69131394D-02
28.9702330 2.76386180D-01 -2.49476120D-02 -3.37209346D-03
15.2937230 7.68891176D-02 3.29318971D-01 -1.41192371D-01
8.1011289 8.02755582D-03 4.73277222D-01 -2.00584364D-01
4.3003763 -1.84801091D-04 2.65805308D-01 -4.05353619D-02
2.2857507 5.31260373D-04 5.11400122D-02 2.59553596D-01
1.2158331 -3.33606593D-04 5.78561722D-03 3.83479497D-01
0.64698377 2.00265556D-04 -8.82898520D-04 3.34475010D-01
0.34434999 -9.81485276D-05 5.78862203D-04 1.60324626D-01
0.18329320 2.86428086D-05 -1.79619458D-04 6.12928097D-02
Tl F
1682.0961000 5.45328958D-05
813.4231400 2.75052742D-04
404.4180000 1.59955910D-03
205.3091400 7.60578304D-03
105.8377900 2.99636298D-02
55.1615910 8.99640164D-02
28.9702330 2.02638792D-01
15.2937230 3.10237905D-01
8.1011289 3.28010913D-01
4.3003763 2.31376176D-01
2.2857507 9.27865781D-02
1.2158331 2.67116280D-02
end
basis "Pb_WTBS" SPHERICAL
Pb S
73753376.0000000 3.82918923D-06 1.27740430D-06 6.07958961D-07 -3.05101207D-07 -1.34464934D-07 -4.16070192D-08
14954702.0000000 2.15654895D-05 7.19485223D-06 3.42591475D-06 -1.71993388D-06 -7.58529358D-07 -2.34773152D-07
3513435.8000000 1.22783051D-04 4.09684215D-05 1.94967090D-05 -9.78353386D-06 -4.31114082D-06 -1.33389619D-06
946395.2700000 5.69041300D-04 1.90000553D-04 9.04885327D-05 -4.54324658D-05 -2.00389103D-05 -6.20252260D-06
288721.3300000 2.26620782D-03 7.58077278D-04 3.60867869D-04 -1.81086271D-04 -7.97852157D-05 -2.46846032D-05
98410.3170000 7.80972446D-03 2.62679314D-03 1.25263696D-03 -6.29178601D-04 -2.77595118D-04 -8.59314104D-05
36939.1350000 2.35887702D-02 8.04098351D-03 3.83805542D-03 -1.92697673D-03 -8.48872209D-04 -2.62603950D-04
15047.3120000 6.23689410D-02 2.19385296D-02 1.05382529D-02 -5.30358186D-03 -2.34203142D-03 -7.25184726D-04
6558.3089000 1.41406779D-01 5.31742688D-02 2.57614517D-02 -1.29777519D-02 -5.71826165D-03 -1.76879266D-03
3018.2805000 2.59105582D-01 1.11544412D-01 5.53756606D-02 -2.81064399D-02 -1.24486111D-02 -3.85756871D-03
1449.6318000 3.38039531D-01 1.86782319D-01 9.63679044D-02 -4.92670902D-02 -2.17486611D-02 -6.72681659D-03
719.2957500 2.44808363D-01 1.92213121D-01 1.07889687D-01 -5.66212047D-02 -2.54139150D-02 -7.90449102D-03
365.6662000 6.38439352D-02 -4.99975504D-02 -3.62894493D-02 2.04285558D-02 9.70167121D-03 3.07667213D-03
189.1857500 2.87346245D-03 -4.92936469D-01 -4.24198143D-01 2.45788941D-01 1.11151647D-01 3.44809861D-02
99.0986130 2.90868108D-05 -5.03741914D-01 -6.33416574D-01 4.14017189D-01 1.97554300D-01 6.22184093D-02
52.3514000 6.48129547D-05 -1.25968405D-01 1.56615363D-01 -1.47202388D-01 -8.06449075D-02 -2.63621163D-02
27.8120670 -1.61469532D-04 -4.98994824D-03 8.82204327D-01 -1.06839463D+00 -5.73478978D-01 -1.83132605D-01
14.8288060 1.27096139D-04 7.76110956D-04 3.37668966D-01 -3.78521390D-01 -2.34834439D-01 -8.03104388D-02
7.9240379 -9.35114280D-05 -6.07714939D-04 3.24037971D-02 9.04178821D-01 7.60073302D-01 2.71534910D-01
4.2399181 7.52443781D-05 7.05442501D-04 -4.08041825D-03 6.44867603D-01 8.86143867D-01 3.35964919D-01
2.2703218 -5.56834928D-05 -5.53820043D-04 4.20600241D-03 4.42983397D-02 -3.94051282D-01 -1.90164152D-01
1.2161428 3.97734004D-05 3.98690109D-04 -3.56017608D-03 2.10680545D-02 -8.27118562D-01 -4.49442634D-01
0.65157228 -2.81510121D-05 -2.91111278D-04 2.51109778D-03 -1.16705841D-02 -3.62238256D-01 -3.63610539D-01
0.34912095 1.89908749D-05 1.97880635D-04 -1.76090465D-03 8.51316538D-03 -1.08921372D-02 9.69396805D-02
0.18706936 -1.19341206D-05 -1.25094352D-04 1.12564004D-03 -5.42025276D-03 -1.27112566D-02 4.61911298D-01
0.10023829 6.55603564D-06 6.90226791D-05 -6.23773265D-04 3.00407532D-03 6.53983622D-03 5.17141522D-01
0.53711299E-01 -2.76098836D-06 -2.91277572D-05 2.64820084D-04 -1.28375345D-03 -2.96989924D-03 2.08273349D-01
0.28780466E-01 6.48049619D-07 6.84928263D-06 -6.23558413D-05 3.02690022D-04 6.99455932D-04 1.94030561D-02
Pb P
288721.3300000 1.70058202D-05 8.61496518D-06 4.31541071D-06 1.80824555D-06 4.49840355D-07
98410.3170000 7.92965485D-05 3.99537288D-05 1.98147065D-05 8.20746439D-06 2.03607072D-06
36939.1350000 4.22217793D-04 2.14300250D-04 1.07383575D-04 4.49938614D-05 1.11929667D-05
15047.3120000 1.81114656D-03 9.17842020D-04 4.56536999D-04 1.89550059D-04 4.70487244D-05
6558.3089000 6.94636866D-03 3.56010681D-03 1.78629467D-03 7.47905029D-04 1.86010856D-04
3018.2805000 2.32823956D-02 1.20616835D-02 6.03540974D-03 2.51124463D-03 6.23581378D-04
1449.6318000 6.81652212D-02 3.64455028D-02 1.84656022D-02 7.74492768D-03 1.92663328D-03
719.2957500 1.65262691D-01 9.23759716D-02 4.70838881D-02 1.96757664D-02 4.88903296D-03
365.6662000 3.05021173D-01 1.83401905D-01 9.58529902D-02 4.05205939D-02 1.00925152D-02
189.1857500 3.59837420D-01 2.20514789D-01 1.14712173D-01 4.79764328D-02 1.19173473D-02
99.0986130 2.04821449D-01 -1.46055730D-03 -2.34625692D-02 -1.15532010D-02 -2.91937806D-03
52.3514000 3.67769133D-02 -4.57894039D-01 -3.72107717D-01 -1.74876934D-01 -4.42720757D-02
27.8120670 1.43534510D-03 -4.99546432D-01 -4.09391144D-01 -1.85423605D-01 -4.65162520D-02
14.8288060 -3.70506926D-04 -1.40740919D-01 2.30518995D-01 1.53839346D-01 4.04909711D-02
7.9240379 1.80173576D-04 -1.37368622D-02 6.55157922D-01 4.74390389D-01 1.29158435D-01
4.2399181 -2.06551098D-04 1.97899036D-03 3.33462754D-01 2.03410874D-01 5.00942250D-02
2.2703218 1.55027759D-04 -1.86298922D-03 3.25831987D-02 -4.33977640D-01 -1.46579511D-01
1.2161428 -1.05246435D-04 1.51932918D-03 7.56827173D-03 -5.44339183D-01 -1.94828063D-01
0.65157228 7.69706035D-05 -1.03963342D-03 -3.47063153D-03 -2.55434380D-01 -1.11384359D-01
0.34912095 -5.13968785D-05 7.27727557D-04 2.61242804D-03 -3.06557458D-02 1.04176258D-01
0.18706936 3.28830095D-05 -4.67886661D-04 -1.70529976D-03 -7.88218816D-03 3.16411189D-01
0.10023829 -1.87147050D-05 2.67392786D-04 9.71143912D-04 2.29238330D-03 4.15643841D-01
0.53711299E-01 8.40316368D-06 -1.20827366D-04 -4.45248206D-04 -1.44895589D-03 2.66909860D-01
0.28780466E-01 -2.19369890D-06 3.15376359D-05 1.16284238D-04 3.46043731D-04 7.45744495D-02
Pb D
15047.3120000 3.59416477D-05 -1.89203327D-05 6.66967142D-06
6558.3089000 1.56302743D-04 -8.08815287D-05 2.80068266D-05
3018.2805000 8.68681483D-04 -4.57737647D-04 1.61067386D-04
1449.6318000 3.89171816D-03 -2.03971970D-03 7.11330239D-04
719.2957500 1.57173069D-02 -8.36128132D-03 2.93969718D-03
365.6662000 5.31885995D-02 -2.85436615D-02 1.00160902D-02
189.1857500 1.45889279D-01 -8.03416873D-02 2.84131672D-02
99.0986130 2.92554446D-01 -1.61387561D-01 5.69408057D-02
52.3514000 3.79595544D-01 -1.91685977D-01 6.65730107D-02
27.8120670 2.48299705D-01 1.24437822D-02 -1.92115267D-02
14.8288060 6.32814740D-02 3.57215939D-01 -1.59721093D-01
7.9240379 6.08078379D-03 4.63870338D-01 -2.05902467D-01
4.2399181 -1.17250485D-04 2.37321536D-01 -1.03677097D-02
2.2703218 3.98369929D-04 4.20741624D-02 2.93949597D-01
1.2161428 -2.54730279D-04 4.27297632D-03 4.00084182D-01
0.65157228 1.51986407D-04 -6.37568425D-04 3.13724999D-01
0.34912095 -7.39664069D-05 3.96290811D-04 1.29632613D-01
0.18706936 2.15781949D-05 -1.32821166D-04 3.81662835D-02
Pb F
1449.6318000 8.77099956D-05
719.2957500 3.97412809D-04
365.6662000 2.15620333D-03
189.1857500 9.69697352D-03
99.0986130 3.56720551D-02
52.3514000 1.01804428D-01
27.8120670 2.17036947D-01
14.8288060 3.16336216D-01
7.9240379 3.21083592D-01
4.2399181 2.12295861D-01
2.2703218 7.98722378D-02
1.2161428 1.99406166D-02
end
basis "Bi_WTBS" SPHERICAL
Bi S
81466050.0000000 3.47871658D-06 1.16121335D-06 5.53405353D-07 -2.78710629D-07 -1.24602805D-07 4.07946735D-08
16616094.0000000 1.94151038D-05 6.48101087D-06 3.08998502D-06 -1.55648702D-06 -6.96203112D-07 2.27994853D-07
3918843.6000000 1.10202787D-04 3.67937494D-05 1.75338225D-05 -8.83022279D-06 -3.94726203D-06 1.29224563D-06
1057867.4000000 5.09854749D-04 1.70319699D-04 8.12182513D-05 -4.09134543D-05 -1.83016819D-05 5.99372980D-06
322990.5300000 2.03104690D-03 6.79701566D-04 3.23993656D-04 -1.63174368D-04 -7.29349714D-05 2.38759441D-05
110076.8900000 7.01182652D-03 2.35805305D-03 1.12577716D-03 -5.67284964D-04 -2.53819780D-04 8.31332479D-05
41290.5020000 2.12570401D-02 7.23817127D-03 3.45881056D-03 -1.74296999D-03 -7.79003761D-04 2.54989881D-04
16805.3900000 5.65811360D-02 1.98265163D-02 9.52893255D-03 -4.80979293D-03 -2.15359966D-03 7.05543243D-04
7319.0317000 1.29918643D-01 4.84256515D-02 2.34611269D-02 -1.18616140D-02 -5.30339137D-03 1.73579294D-03
3366.9167000 2.43900458D-01 1.02966977D-01 5.10096450D-02 -2.59428940D-02 -1.16454317D-02 3.81795705D-03
1617.1036000 3.33784818D-01 1.77944811D-01 9.13890971D-02 -4.68666775D-02 -2.10022762D-02 6.87400418D-03
802.8171500 2.64839151D-01 2.00052367D-01 1.11011203D-01 -5.81274257D-02 -2.63691806D-02 8.67301559D-03
408.5492700 8.19891834D-02 -1.16310508D-04 -3.14832862D-03 2.01443031D-03 1.26327321D-03 -4.73813755D-04
211.6909000 4.65613584D-03 -4.41238264D-01 -3.64519965D-01 2.10502550D-01 9.65987961D-02 -3.17013603D-02
111.0992600 3.71492244D-04 -5.39952887D-01 -6.50360060D-01 4.17214326D-01 2.00066120D-01 -6.65943639D-02
58.8227310 -1.86583954D-04 -1.70048836D-01 -6.71075864D-03 -7.83950352D-03 -8.67847134D-03 3.65302284D-03
31.3281730 3.08941668D-05 -7.80899909D-03 8.66430110D-01 -1.00340392D+00 -5.44847743D-01 1.84194395D-01
16.7484920 -2.57959861D-05 -2.43147733D-04 4.36297497D-01 -5.89522857D-01 -3.57198564D-01 1.26900814D-01
8.9751627 2.03670527D-05 1.04697440D-04 4.38198074D-02 7.97233456D-01 6.39379995D-01 -2.39739597D-01
4.8163589 -7.77205693D-06 2.22704244D-04 6.51553486D-04 7.63374521D-01 1.01201708D+00 -4.08007878D-01
2.5866598 4.93062736D-06 -1.97722190D-04 1.00727656D-03 8.22674509D-02 -2.30192847D-01 1.26253859D-01
1.3897663 -3.69547358D-06 1.43010922D-04 -1.20142765D-03 2.21149472D-02 -8.73262046D-01 4.93538825D-01
0.74684967 2.24567037D-06 -1.13762723D-04 7.95748445D-04 -1.15066266D-02 -4.27500417D-01 4.37501701D-01
0.40138756 -1.50606464D-06 7.82441085D-05 -5.92069254D-04 8.64597795D-03 -2.24887345D-02 -9.26426206D-02
0.21572963 9.54000994D-07 -4.98278286D-05 3.85823428D-04 -5.55898956D-03 -1.18295845D-02 -4.95362154D-01
0.11594728 -5.30511618D-07 2.76840456D-05 -2.13958287D-04 3.07669655D-03 5.65117045D-03 -5.26856900D-01
0.62317860E-01 2.31279802D-07 -1.16512300D-05 9.15137955D-05 -1.31847592D-03 -2.64905603D-03 -1.96461154D-01
0.33493819E-01 -5.55772711D-08 2.73575046D-06 -2.14876648D-05 3.10033911D-04 6.13849500D-04 -1.58080374D-02
Bi P
322990.5300000 1.45944593D-05 7.41076684D-06 3.72705590D-06 1.59178066D-06 4.36867054D-07
110076.8900000 6.81634921D-05 3.43687079D-05 1.71174629D-05 7.21964785D-06 1.97402561D-06
41290.5020000 3.63514318D-04 1.84902155D-04 9.30185352D-05 3.97236206D-05 1.09017843D-05
16805.3900000 1.56512997D-03 7.93671277D-04 3.96410171D-04 1.67621087D-04 4.58653051D-05
7319.0317000 6.02751279D-03 3.09274282D-03 1.55766765D-03 6.64604237D-04 1.82332422D-04
3366.9167000 2.03498599D-02 1.05332581D-02 5.29043180D-03 2.24192820D-03 6.13754970D-04
1617.1036000 6.02519345D-02 3.21464510D-02 1.63369302D-02 6.98113100D-03 1.91554399D-03
802.8171500 1.49317976D-01 8.30010429D-02 4.24198447D-02 1.80519464D-02 4.94541503D-03
408.5492700 2.86289331D-01 1.70887622D-01 8.94270195D-02 3.84997801D-02 1.05773921D-02
211.6909000 3.62854829D-01 2.25055803D-01 1.18166843D-01 5.04395684D-02 1.38173179D-02
111.0992600 2.32955620D-01 4.99201826D-02 9.99067297D-03 3.27215069D-03 8.84166718D-04
58.8227310 5.13651297D-02 -4.00372235D-01 -3.23751928D-01 -1.54882962D-01 -4.33111876D-02
31.3281730 2.22028480D-03 -5.33558505D-01 -4.52517882D-01 -2.12349216D-01 -5.89292757D-02
16.7484920 -1.88861547D-04 -1.84809934D-01 1.22297278D-01 9.53438806D-02 2.79558196D-02
8.9751627 6.44749109D-05 -1.93131008D-02 6.46860433D-01 4.66554918D-01 1.40379722D-01
4.8163589 -1.43575658D-04 1.13265666D-03 4.01526362D-01 2.92291708D-01 8.44644221D-02
2.5866598 1.09770026D-04 -1.41847265D-03 5.02045180D-02 -3.79044100D-01 -1.44906338D-01
1.3897663 -7.34257880D-05 1.20971913D-03 9.42367621D-03 -5.75934739D-01 -2.29520561D-01
0.74684967 5.58791581D-05 -8.13201235D-04 -4.14370084D-03 -2.90495628D-01 -1.44124228D-01
0.40138756 -3.72033654D-05 5.77109494D-04 3.17150411D-03 -3.73516243D-02 1.16201106D-01
0.21572963 2.39042976D-05 -3.71845932D-04 -2.08633376D-03 -8.37658193D-03 3.59430747D-01
0.11594728 -1.36234728D-05 2.12604092D-04 1.19713755D-03 2.55697459D-03 4.24717480D-01
0.62317860E-01 6.10389428D-06 -9.59541336D-05 -5.45503001D-04 -1.39666950D-03 2.36500454D-01
0.33493819E-01 -1.58989245D-06 2.49888774D-05 1.43229136D-04 3.88469295D-04 5.07802880D-02
Bi D
16805.3900000 2.99702085D-05 -1.59628613D-05 5.87360299D-06
7319.0317000 1.29444991D-04 -6.69545182D-05 2.39222225D-05
3366.9167000 7.29089675D-04 -3.87974962D-04 1.42277925D-04
1617.1036000 3.26199314D-03 -1.71472519D-03 6.19367645D-04
802.8171500 1.33606398D-02 -7.15704720D-03 2.61694481D-03
408.5492700 4.58623637D-02 -2.46846342D-02 8.98183935D-03
211.6909000 1.29538666D-01 -7.16824699D-02 2.63450435D-02
111.0992600 2.71200894D-01 -1.50715609D-01 5.51956807D-02
58.8227310 3.77576977D-01 -1.98184372D-01 7.21681895D-02
31.3281730 2.76428157D-01 -3.19169278D-02 -1.28150633D-03
16.7484920 8.19068735D-02 3.15570440D-01 -1.48816077D-01
8.9751627 8.97565396D-03 4.73847030D-01 -2.21399502D-01
4.8163589 -4.19876817D-05 2.75796376D-01 -5.09172389D-02
2.5866598 4.43620388D-04 5.57917419D-02 2.76137442D-01
1.3897663 -2.77611542D-04 5.99498019D-03 4.13936696D-01
0.74684967 1.65511358D-04 -8.70514934D-04 3.28739849D-01
0.40138756 -8.03859948D-05 5.25192382D-04 1.30248834D-01
0.21572963 2.35518209D-05 -1.81970787D-04 3.69309602D-02
Bi F
1617.1036000 7.25243568D-05
802.8171500 3.24534663D-04
408.5492700 1.80602562D-03
211.6909000 8.14470947D-03
111.0992600 3.09207363D-02
58.8227310 9.06828997D-02
31.3281730 2.01908669D-01
16.7484920 3.08890748D-01
8.9751627 3.27884630D-01
4.8163589 2.28371958D-01
2.5866598 8.95419716D-02
1.3897663 2.29928131D-02
end
basis "Po_WTBS" SPHERICAL
Po S
89054877.0000000 3.20115333D-06 1.06920742D-06 5.10240246D-07 -2.57869283D-07 -1.16882408D-07 4.01414840D-08
18260407.0000000 1.77206105D-05 5.91862773D-06 2.82533829D-06 -1.42790775D-06 -6.47410727D-07 2.22395098D-07
4321596.7000000 1.00311012D-04 3.35113240D-05 1.59913569D-05 -8.08187825D-06 -3.66295892D-06 1.25791916D-06
1168814.9000000 4.63393073D-04 1.54874916D-04 7.39426681D-05 -3.73711596D-05 -1.69448459D-05 5.82100385D-06
357103.8700000 1.84655231D-03 6.18232637D-04 2.95094548D-04 -1.49149928D-04 -6.75962024D-05 2.32125000D-05
121675.4200000 6.38588025D-03 2.14752000D-03 1.02639156D-03 -5.18869941D-04 -2.35303093D-04 8.08399516D-05
45605.7770000 1.94244053D-02 6.60899985D-03 3.16203165D-03 -1.59916237D-03 -7.24764049D-04 2.48863836D-04
18542.9820000 5.20064372D-02 1.81700218D-02 8.73786332D-03 -4.42372809D-03 -2.00725171D-03 6.89761312D-04
8067.8727000 1.20682905D-01 4.46732061D-02 2.16514299D-02 -1.09855226D-02 -4.98141650D-03 1.71038045D-03
3708.6113000 2.31070132D-01 9.60609373D-02 4.75129997D-02 -2.42194701D-02 -1.10128392D-02 3.78691748D-03
1780.5116000 3.28432095D-01 1.70141571D-01 8.71088025D-02 -4.48106494D-02 -2.03742013D-02 6.99628276D-03
883.9615700 2.80002776D-01 2.04021165D-01 1.12177605D-01 -5.86953042D-02 -2.69157705D-02 9.28111440D-03
450.0462100 9.89460579D-02 3.72512128D-02 2.08384691D-02 -1.12484112D-02 -4.99473712D-03 1.67068410D-03
233.3914900 7.06344323D-03 -3.93417854D-01 -3.15238388D-01 1.81774816D-01 8.46885194D-02 -2.91589643D-02
122.6356100 6.25962373D-04 -5.61665551D-01 -6.49469633D-01 4.11213493D-01 1.98446196D-01 -6.92193979D-02
65.0278260 -3.76251466D-04 -2.11327758D-01 -1.34945399D-01 9.48026984D-02 4.52211205D-02 -1.52361855D-02
34.6926010 1.85947570D-04 -1.21955694D-02 8.26981197D-01 -9.24526791D-01 -5.08296755D-01 1.80422206D-01
18.5823030 -1.53188374D-04 -1.08179582D-03 5.21231273D-01 -7.44752278D-01 -4.48079900D-01 1.65621482D-01
9.9779478 1.16399113D-04 7.19795456D-04 5.90687563D-02 6.81364220D-01 5.28646573D-01 -2.06586428D-01
5.3657299 -7.84592040D-05 -2.17318574D-04 4.85150910D-03 8.51479189D-01 1.09427746D+00 -4.63960441D-01
2.8879084 5.69082843D-05 1.36892177D-04 -1.78728075D-03 1.25126643D-01 -8.28665124D-02 6.18579768D-02
1.5550123 -4.11094681D-05 -1.00755146D-04 9.16592669D-04 2.15995512D-02 -9.04592080D-01 5.32243630D-01
0.83749239 2.84452469D-05 5.67558202D-05 -7.67721887D-04 -9.91334844D-03 -4.80768420D-01 5.07038447D-01
0.45109815 -1.91633613D-05 -3.72485602D-05 4.82062034D-04 7.76549339D-03 -3.31358280D-02 -9.60774695D-02
0.24298423 1.20264874D-05 2.29327034D-05 -2.96112988D-04 -5.05235752D-03 -1.07046508D-02 -5.33853143D-01
0.13088522 -6.58634603D-06 -1.21930292D-05 1.64112599D-04 2.78876438D-03 4.60532302D-03 -5.26989184D-01
0.70502499E-01 2.76997090D-06 5.13650543D-06 -6.78947994D-05 -1.20118607D-03 -2.27124878D-03 -1.81720781D-01
0.37976823E-01 -6.47387726D-07 -1.18891281D-06 1.59395935D-05 2.81533511D-04 5.09643988D-04 -1.40496874D-02
Po P
357103.8700000 1.27779160D-05 6.49989618D-06 3.28034578D-06 1.42523556D-06 4.18791813D-07
121675.4200000 5.97956113D-05 3.01905329D-05 1.51080899D-05 6.48514274D-06 1.89705914D-06
45605.7770000 3.19378182D-04 1.62716663D-04 8.21407321D-05 3.56843534D-05 1.04848821D-05
18542.9820000 1.38036215D-03 7.00778121D-04 3.51579212D-04 1.51289536D-04 4.42946812D-05
8067.8727000 5.33644030D-03 2.74069835D-03 1.38511721D-03 6.01196284D-04 1.76569251D-04
3708.6113000 1.81373618D-02 9.38700391D-03 4.73395716D-03 2.04137670D-03 5.98017816D-04
1780.5116000 5.42098292D-02 2.88759120D-02 1.47175799D-02 6.39714269D-03 1.87901626D-03
883.9615700 1.36778736D-01 7.57350772D-02 3.88311467D-02 1.68134406D-02 4.92914538D-03
450.0462100 2.70272884D-01 1.60338611D-01 8.40261097D-02 3.67809379D-02 1.08174551D-02
233.3914900 3.62247627D-01 2.25846847D-01 1.19400243D-01 5.19417605D-02 1.52304028D-02
122.6356100 2.55440359D-01 8.73404101D-02 3.40101577D-02 1.41909016D-02 4.17855273D-03
65.0278260 6.58532356D-02 -3.48290467D-01 -2.81766147D-01 -1.37053961D-01 -4.10877972D-02
34.6926010 3.36148630D-03 -5.52475494D-01 -4.75519476D-01 -2.29234259D-01 -6.82333781D-02
18.5823030 -3.70419049D-06 -2.25401816D-01 3.27311487D-02 4.65616980D-02 1.50289627D-02
9.9779478 -5.92043770D-05 -2.58625748D-02 6.26817268D-01 4.52923571D-01 1.46289197D-01
5.3657299 -6.81885137D-05 1.25236347D-04 4.56325068D-01 3.60235256D-01 1.14223145D-01
2.8879084 5.37060013D-05 -8.60588876D-04 6.95325555D-02 -3.28014906D-01 -1.37700657D-01
1.5550123 -3.33405006D-05 8.01059379D-04 1.06417389D-02 -6.00331939D-01 -2.61428175D-01
0.83749239 2.87249682D-05 -5.11367025D-04 -4.21806284D-03 -3.17709756D-01 -1.68488983D-01
0.45109815 -1.88341811D-05 3.72335056D-04 3.30151759D-03 -4.28112815D-02 1.39707014D-01
0.24298423 1.22217502D-05 -2.40734384D-04 -2.19742810D-03 -8.88344749D-03 3.71082583D-01
0.13088522 -7.02541095D-06 1.37213505D-04 1.25313067D-03 2.11640825D-03 4.10804548D-01
0.70502499E-01 3.12642915D-06 -6.22289020D-05 -5.78029550D-04 -1.56442292D-03 2.29406991D-01
0.37976823E-01 -8.19779119D-07 1.60934021D-05 1.49776603D-04 3.32591241D-04 5.52251802D-02
Po D
18542.9820000 2.56162904D-05 -1.37728477D-05 5.25908067D-06
8067.8727000 1.10288448D-04 -5.71568397D-05 2.10259972D-05
3708.6113000 6.27846020D-04 -3.36839486D-04 1.28049590D-04
1780.5116000 2.81033345D-03 -1.48322552D-03 5.53084235D-04
883.9615700 1.16423006D-02 -6.27577398D-03 2.37538945D-03
450.0462100 4.04664917D-02 -2.18643776D-02 8.21973945D-03
233.3914900 1.16990524D-01 -6.50292730D-02 2.47257957D-02
122.6356100 2.53575835D-01 -1.41873500D-01 5.37270617D-02
65.0278260 3.72788140D-01 -2.00634827D-01 7.59507381D-02
34.6926010 2.97836102D-01 -6.51022907D-02 1.31954384D-02
18.5823030 9.93714564D-02 2.78960408D-01 -1.38528132D-01
9.9779478 1.21489636D-02 4.76992399D-01 -2.32465426D-01
5.3657299 1.19461726D-04 3.06859491D-01 -8.37601374D-02
2.8879084 4.36257044D-04 6.89880036D-02 2.60655015D-01
1.5550123 -2.64247827D-04 7.56017737D-03 4.26579020D-01
0.83749239 1.56906351D-04 -9.66587266D-04 3.40253689D-01
0.45109815 -7.60136552D-05 5.80526309D-04 1.29012445D-01
0.24298423 2.24492133D-05 -2.09593258D-04 3.48458341D-02
Po F
1780.5116000 6.19563026D-05
883.9615700 2.73842049D-04
450.0462100 1.56121404D-03
233.3914900 7.05228934D-03
122.6356100 2.74729545D-02
65.0278260 8.24472124D-02
34.6926010 1.89936035D-01
18.5823030 3.02329079D-01
9.9779478 3.32554117D-01
5.3657299 2.40839225D-01
2.8879084 9.73124899D-02
1.5550123 2.52379839D-02
end
basis "At_WTBS" SPHERICAL
At S
92596223.0000000 3.11131056D-06 1.03979920D-06 4.96849745D-07 -2.51954032D-07 -1.15708620D-07 -4.12818971D-08
19516300.0000000 1.64971322D-05 5.51307537D-06 2.63498900D-06 -1.33614945D-06 -6.13751388D-07 -2.19021950D-07
4704109.0000000 9.20440766D-05 3.07670675D-05 1.47010489D-05 -7.45507987D-06 -3.42354142D-06 -1.22136613D-06
1285396.9000000 4.21555338D-04 1.40964011D-04 6.73827962D-05 -3.41690642D-05 -1.56958533D-05 -5.60135955D-06
394156.9800000 1.68072292D-03 5.62944676D-04 2.69055398D-04 -1.36453047D-04 -6.26608205D-05 -2.23536053D-05
134109.5300000 5.85022419D-03 1.96752214D-03 9.41413647D-04 -4.77479135D-04 -2.19359942D-04 -7.82889040D-05
50020.4060000 1.79899197D-02 6.11708581D-03 2.93016261D-03 -1.48693611D-03 -6.82856096D-04 -2.43585455D-04
20198.4820000 4.88362260D-02 1.70264014D-02 8.19384228D-03 -4.16151048D-03 -1.91275677D-03 -6.82799747D-04
8722.0802000 1.15169178D-01 4.24326717D-02 2.05789199D-02 -1.04758732D-02 -4.81379801D-03 -1.71709707D-03
3980.6634000 2.24701834D-01 9.25664444D-02 4.57614261D-02 -2.33932321D-02 -1.07729407D-02 -3.84807737D-03
1899.5546000 3.27078939D-01 1.66857120D-01 8.53440364D-02 -4.40355068D-02 -2.02933513D-02 -7.23995746D-03
938.7987000 2.88495583D-01 2.06396697D-01 1.13052351D-01 -5.92635985D-02 -2.75011607D-02 -9.84930141D-03
476.6244600 1.07576563D-01 5.31614034D-02 3.08715508D-02 -1.67784061D-02 -7.70910971D-03 -2.71127286D-03
246.9027400 8.45777620D-03 -3.71989639D-01 -2.94854961D-01 1.70259318D-01 8.04610385D-02 2.87843003D-02
129.7946000 7.17682352D-04 -5.68192573D-01 -6.45580206D-01 4.07773554D-01 1.98872135D-01 7.20612430D-02
68.9476150 -4.41061659D-04 -2.30230943D-01 -1.88449595D-01 1.35991545D-01 6.76065565D-02 2.40334116D-02
36.8899800 2.42629892D-04 -1.51714295D-02 7.98643530D-01 -8.81058031D-01 -4.91071713D-01 -1.81245188D-01
19.8329240 -2.02039233D-04 -1.32708030D-03 5.60506994D-01 -8.12513070D-01 -4.92443396D-01 -1.88970944D-01
10.6957600 1.54170084D-04 8.96805884D-04 7.04996760D-02 6.09762681D-01 4.69798979D-01 1.90822649D-01
5.7792186 -1.06862499D-04 -3.44685010D-04 6.44119633D-03 8.93396069D-01 1.13817612D+00 5.02519070D-01
3.1262002 7.83260052D-05 2.38871864D-04 -2.71532631D-03 1.54251737D-01 5.05966766D-03 -1.91760156D-02
1.6921404 -5.68750580D-05 -1.77057962D-04 1.64176930D-03 2.17381941D-02 -9.23097984D-01 -5.67663044D-01
0.91621247 3.96654502D-05 1.10001155D-04 -1.32561111D-03 -8.87592711D-03 -5.13411755D-01 -5.61862668D-01
0.49616004 -2.68210885D-05 -7.34894030D-05 8.69575088D-04 7.17314137D-03 -3.85868657D-02 1.11395618D-01
0.26870430 1.68592546D-05 4.59057805D-05 -5.41470142D-04 -4.72491243D-03 -1.09294674D-02 5.61374273D-01
0.14552478 -9.21885652D-06 -2.46762609D-05 3.00639991D-04 2.59149367D-03 4.31655080D-03 5.25155066D-01
0.78813725E-01 3.86011118D-06 1.03584491D-05 -1.24805543D-04 -1.11933434D-03 -2.21896016D-03 1.69829110D-01
0.42684207E-01 -8.96300169D-07 -2.39170618D-06 2.91541723D-05 2.60540328D-04 4.84136126D-04 1.28542623D-02
At P
394156.9800000 1.12115821D-05 5.71132605D-06 2.89300825D-06 1.27732880D-06 3.97891002D-07
134109.5300000 5.28524533D-05 2.67316570D-05 1.34359003D-05 5.86458011D-06 1.81767154D-06
50020.4060000 2.85417704D-04 1.45596533D-04 7.37623113D-05 3.25603072D-05 1.01413726D-05
20198.4820000 1.25304591D-03 6.37118029D-04 3.21009563D-04 1.40460404D-04 4.35789822D-05
8722.0802000 4.91906523D-03 2.52844805D-03 1.28236940D-03 5.65555812D-04 1.76059253D-04
3980.6634000 1.69754029D-02 8.79262645D-03 4.45228652D-03 1.95211477D-03 6.06041525D-04
1899.5546000 5.14276298D-02 2.73845816D-02 1.40037643D-02 6.18483636D-03 1.92552743D-03
938.7987000 1.31540053D-01 7.27765992D-02 3.74536259D-02 1.64881543D-02 5.12280433D-03
476.6244600 2.63843132D-01 1.56216097D-01 8.20983053D-02 3.65125487D-02 1.13827331D-02
246.9027400 3.61560054D-01 2.25958429D-01 1.20063787D-01 5.31435629D-02 1.65161979D-02
129.7946000 2.64524459D-01 1.01823741D-01 4.33233758D-02 1.86521673D-02 5.82933233D-03
68.9476150 7.27413409D-02 -3.24037271D-01 -2.63533066D-01 -1.30373258D-01 -4.14903557D-02
36.8899800 4.10999910D-03 -5.56331551D-01 -4.81997602D-01 -2.37226557D-01 -7.49288003D-02
19.8329240 6.75612818D-05 -2.45298715D-01 -1.04604962D-02 2.29269968D-02 8.27722176D-03
10.6957600 -1.05441308D-04 -3.03298507D-02 6.10218192D-01 4.46847933D-01 1.53670004D-01
5.7792186 -4.09809505D-05 -3.27489794D-04 4.83620653D-01 3.97002975D-01 1.34771805D-01
3.1262002 3.30271046D-05 -6.51760972D-04 8.24878766D-02 -2.98777603D-01 -1.35638235D-01
1.6921404 -1.82708956D-05 6.48870501D-04 1.14372544D-02 -6.15458317D-01 -2.90360131D-01
0.91621247 1.87777705D-05 -3.94772566D-04 -4.14946093D-03 -3.31516102D-01 -1.86410096D-01
0.49616004 -1.21042043D-05 2.93341556D-04 3.29560709D-03 -4.51688907D-02 1.62402341D-01
0.26870430 7.91688205D-06 -1.90615046D-04 -2.21961058D-03 -9.47488100D-03 3.86043683D-01
0.14552478 -4.61714156D-06 1.07800271D-04 1.25229658D-03 1.75801295D-03 4.03554260D-01
0.78813725E-01 2.01810534D-06 -4.92032371D-05 -5.84538886D-04 -1.75693227D-03 2.16284783D-01
0.42684207E-01 -5.35215194D-07 1.25391246D-05 1.48589601D-04 2.85672211D-04 5.18832816D-02
At D
20198.4820000 2.24867859D-05 -1.21711611D-05 4.79305643D-06
8722.0802000 9.94726346D-05 -5.18361358D-05 1.96368245D-05
3980.6634000 5.74347435D-04 -3.09969230D-04 1.21443790D-04
1899.5546000 2.60900507D-03 -1.38477834D-03 5.31995307D-04
938.7987000 1.09395335D-02 -5.93018072D-03 2.31298250D-03
476.6244600 3.84151834D-02 -2.08679675D-02 8.08304435D-03
246.9027400 1.12170036D-01 -6.26746212D-02 2.45576573D-02
129.7946000 2.46244680D-01 -1.38666149D-01 5.41243107D-02
68.9476150 3.69147000D-01 -2.01166086D-01 7.85969156D-02
36.8899800 3.05642860D-01 -7.86805331D-02 1.96403255D-02
19.8329240 1.07911707D-01 2.60584900D-01 -1.35135570D-01
10.6957600 1.40808636D-02 4.75529485D-01 -2.40412622D-01
5.7792186 2.19542446D-04 3.21384758D-01 -1.00988143D-01
3.1262002 4.32286101D-04 7.67249569D-02 2.54659250D-01
1.6921404 -2.58256157D-04 8.49449370D-03 4.36567504D-01
0.91621247 1.52823316D-04 -9.83171496D-04 3.43855331D-01
0.49616004 -7.35754143D-05 5.80326661D-04 1.24253102D-01
0.26870430 2.18548030D-05 -2.20156245D-04 3.26240548D-02
At F
1899.5546000 5.72097901D-05
938.7987000 2.56701904D-04
476.6244600 1.48152247D-03
246.9027400 6.71720321D-03
129.7946000 2.63821751D-02
68.9476150 7.97005209D-02
36.8899800 1.85367092D-01
19.8329240 2.99113360D-01
10.6957600 3.33516944D-01
5.7792186 2.44852597D-01
3.1262002 9.99036540D-02
1.6921404 2.56369879D-02
end
basis "Rn_WTBS" SPHERICAL
Rn S
98695815.0000000 2.94483336D-06 9.84723271D-07 4.71136709D-07 -2.39716408D-07 -1.11476038D-07 -4.10414653D-08
21091278.0000000 1.52731174D-05 5.10677942D-06 2.44369766D-06 -1.24317940D-06 -5.78160259D-07 -2.12903598D-07
5132142.2000000 8.45694320D-05 2.82845514D-05 1.35324884D-05 -6.88567534D-06 -3.20201826D-06 -1.17880851D-06
1410319.4000000 3.85346183D-04 1.28919607D-04 6.16973794D-05 -3.13873792D-05 -1.45974035D-05 -5.37553965D-06
433531.6300000 1.53554494D-03 5.14539990D-04 2.46241464D-04 -1.25306547D-04 -5.82710817D-05 -2.14514317D-05
147500.4300000 5.35904505D-03 1.80249083D-03 8.63378951D-04 -4.39300442D-04 -2.04321140D-04 -7.52471705D-05
54913.9150000 1.65696367D-02 5.63098142D-03 2.70053705D-03 -1.37506493D-03 -6.39514069D-04 -2.35412366D-04
22109.1790000 4.53524319D-02 1.57770990D-02 7.59769418D-03 -3.87054704D-03 -1.80087887D-03 -6.63351022D-04
9514.2752000 1.08235744D-01 3.96696204D-02 1.92496563D-02 -9.83158615D-03 -4.57562216D-03 -1.68432029D-03
4327.2744000 2.15007938D-01 8.75816215D-02 4.32578514D-02 -2.21709977D-02 -1.03328598D-02 -3.80833525D-03
2058.6291000 3.22250397D-01 1.61011468D-01 8.21985751D-02 -4.25345474D-02 -1.98569464D-02 -7.31129643D-03
1014.9288000 2.98837689D-01 2.07829277D-01 1.13159515D-01 -5.93799661D-02 -2.78562313D-02 -1.02913887D-02
514.3984400 1.21447588D-01 7.64937609D-02 4.52435290D-02 -2.46912727D-02 -1.16314467D-02 -4.25436950D-03
266.2228400 1.11707762D-02 -3.36378706D-01 -2.61784043D-01 1.51185126D-01 7.24555313D-02 2.67526953D-02
139.9233600 8.70524984D-04 -5.76121763D-01 -6.35693557D-01 3.99004982D-01 1.96206314D-01 7.33252971D-02
74.3615530 -5.47475604D-04 -2.61223579D-01 -2.66716473D-01 1.94751905D-01 9.96883203D-02 3.69666815D-02
39.8261460 3.40754293D-04 -2.05558294D-02 7.52029847D-01 -8.12467824D-01 -4.58541522D-01 -1.74780801D-01
21.4419260 -2.87602153D-04 -1.77482220D-03 6.16442035D-01 -8.98589840D-01 -5.46498891D-01 -2.15878177D-01
11.5836860 2.20598992D-04 1.22784686D-03 8.77286434D-02 5.10876725D-01 3.86703942D-01 1.61628970D-01
6.2713843 -1.56947223D-04 -5.99240821D-04 9.14853454D-03 9.41443752D-01 1.17980558D+00 5.38035631D-01
3.3996865 1.15847162D-04 4.43538072D-04 -4.29551696D-03 1.93786166D-01 1.15913621D-01 3.84969208D-02
1.8442936 -8.42378641D-05 -3.30278878D-04 2.88726560D-03 2.12422256D-02 -9.41191433D-01 -5.98432124D-01
1.0008923 5.89781407D-05 2.18263224D-04 -2.27453629D-03 -6.88220608D-03 -5.49991828D-01 -6.17639185D-01
0.54328083 -3.98956965D-05 -1.47313743D-04 1.53027634D-03 5.93189197D-03 -4.56412819D-02 1.21433866D-01
0.29491399 2.50696525D-05 9.26371891D-05 -9.61440015D-04 -3.99016016D-03 -1.06116336D-02 5.86217655D-01
0.16009530 -1.36933643D-05 -5.01707811D-05 5.33974847D-04 2.16932995D-03 3.66783495D-03 5.25076503D-01
0.86909090E-01 5.72166754D-06 2.10221939D-05 -2.22379117D-04 -9.45486466D-04 -2.00989692D-03 1.59560544D-01
0.47179407E-01 -1.32502107D-06 -4.85559616D-06 5.18086540D-05 2.19144921D-04 4.24837899D-04 1.12605537D-02
Rn P
433531.6300000 9.89199134D-06 5.04579018D-06 2.56433877D-06 1.15015383D-06 3.73018813D-07
147500.4300000 4.67414821D-05 2.36831144D-05 1.19593011D-05 5.30818682D-06 1.71186862D-06
54913.9150000 2.53553370D-04 1.29497358D-04 6.58219273D-05 2.95148349D-05 9.57068064D-06
22109.1790000 1.12191711D-03 5.71296382D-04 2.89108393D-04 1.28616291D-04 4.15267509D-05
9514.2752000 4.44053079D-03 2.28418919D-03 1.16233764D-03 5.20762144D-04 1.68762802D-04
4327.2744000 1.54811293D-02 8.02282698D-03 4.07900899D-03 1.81814403D-03 5.87439807D-04
2058.6291000 4.74295075D-02 2.52305227D-02 1.29407225D-02 5.80594120D-03 1.88161959D-03
1014.9288000 1.23242750D-01 6.80424145D-02 3.51387113D-02 1.57245173D-02 5.08476386D-03
514.3984400 2.52751091D-01 1.49032720D-01 7.84817037D-02 3.54484446D-02 1.15039311D-02
266.2228400 3.59308122D-01 2.24845197D-01 1.20065660D-01 5.40726615D-02 1.74935880D-02
139.9233600 2.79018055D-01 1.23498582D-01 5.71935580D-02 2.53664264D-02 8.25959913D-03
74.3615530 8.44442786D-02 -2.86884563D-01 -2.35005249D-01 -1.18186360D-01 -3.92209590D-02
39.8261460 5.50161652D-03 -5.61052005D-01 -4.88420765D-01 -2.45467865D-01 -8.08252543D-02
21.4419260 1.90462205D-04 -2.74899753D-01 -6.92313005D-02 -1.03205995D-02 -2.60660616D-03
11.5836860 -1.86433094D-04 -3.71352517D-02 5.86161077D-01 4.33713572D-01 1.55877734D-01
6.2713843 1.16448758D-05 -1.15840867D-03 5.18102929D-01 4.40665787D-01 1.57533377D-01
3.3996865 -7.95603980D-06 -2.40254217D-04 9.99806109D-02 -2.60409310D-01 -1.26750687D-01
1.8442936 1.16311183D-05 3.35404374D-04 1.22771803D-02 -6.33308280D-01 -3.16907558D-01
1.0008923 -1.74881392D-06 -1.59091909D-04 -3.87867636D-03 -3.48613024D-01 -2.05502500D-01
0.54328083 1.88555285D-06 1.31376674D-04 3.15589131D-03 -4.78448073D-02 1.80429756D-01
0.29491399 -9.38971987D-07 -8.53559513D-05 -2.12847264D-03 -8.96299068D-03 4.02919892D-01
0.16009530 4.78900933D-07 4.86504558D-05 1.22030904D-03 2.29190282D-03 4.00379215D-01
0.86909090E-01 -2.06732269D-07 -2.19781340D-05 -5.57266332D-04 -1.37783544D-03 2.02812457D-01
0.47179407E-01 5.15619998D-08 5.67346310D-06 1.44762116D-04 3.53634949D-04 4.49889406D-02
Rn D
22109.1790000 1.95054683D-05 -1.06315966D-05 4.30820111D-06
9514.2752000 8.71824017D-05 -4.56354669D-05 1.77269048D-05
4327.2744000 5.08823847D-04 -2.76320203D-04 1.11313873D-04
2058.6291000 2.33066238D-03 -1.24330498D-03 4.90364162D-04
1014.9288000 9.88539458D-03 -5.38786643D-03 2.15944497D-03
514.3984400 3.51593418D-02 -1.91892246D-02 7.63309182D-03
266.2228400 1.04410977D-01 -5.85940185D-02 2.35864663D-02
139.9233600 2.34699610D-01 -1.32978223D-01 5.33312116D-02
74.3615530 3.63964346D-01 -2.01239195D-01 8.09471494D-02
39.8261460 3.18075976D-01 -9.81656443D-02 2.92286717D-02
21.4419260 1.21040868D-01 2.34878598D-01 -1.27530560D-01
11.5836860 1.70667357D-02 4.73673659D-01 -2.47539299D-01
6.2713843 4.09304247D-04 3.41110689D-01 -1.23267901D-01
3.3996865 4.06798244D-04 8.70932260D-02 2.44272005D-01
1.8442936 -2.34560665D-04 9.73059369D-03 4.47303082D-01
1.0008923 1.37836089D-04 -9.85463300D-04 3.49694311D-01
0.54328083 -6.59114155D-05 5.75878468D-04 1.21454316D-01
0.29491399 1.98578599D-05 -2.30456129D-04 3.10263046D-02
Rn F
2058.6291000 5.06826222D-05
1014.9288000 2.27816843D-04
514.3984400 1.34079821D-03
266.2228400 6.10893549D-03
139.9233600 2.44193016D-02
74.3615530 7.49886809D-02
39.8261460 1.78097974D-01
21.4419260 2.94701565D-01
11.5836860 3.36005664D-01
6.2713843 2.52129183D-01
3.3996865 1.04486313D-01
1.8442936 2.66013197D-02
end
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