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qp2/data/basis/def2-tzvpd

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Documentation in configure
2020-02-04 19:04:36 +01:00
!----------------------------------------------------------------------
! Basis Set Exchange
! Version 2.1.0+44.g1191679.dirty
! https://www.basissetexchange.org
!----------------------------------------------------------------------
! Basis set: def2-TZVPD
! Description: def2-TZVPD
! Role: orbital
! Version: 1 (Data from Turbomole 7.3)
!----------------------------------------------------------------------
$DATA
HYDROGEN
S 3
1 34.0613410 0.60251978E-02
2 5.1235746 0.45021094E-01
3 1.1646626 0.20189726
S 1
1 0.32723041 1.0000000
S 1
1 0.10307241 1.0000000
P 1
1 0.8000000 1.0000000
P 1
1 0.95774129632E-01 1.0000000
HELIUM
S 3
1 98.078321616 0.75803064967E-02
2 14.764404247 0.54848620937E-01
3 3.3185831473 0.22074382186
S 1
1 0.87413869551 1.0000000
S 1
1 0.24459897208 1.0000000
P 1
1 1.0000000 1.0000000
P 1
1 0.19404104917 1.0000000
LITHIUM
S 6
1 6269.2628010 0.20540968826E-03
2 940.31612431 0.15916554089E-02
3 214.22107528 0.82869829707E-02
4 60.759840184 0.33856374249E-01
5 19.915152032 0.11103225876
6 7.3171509797 0.27449383329
S 2
1 2.9724674216 0.23792456411
2 1.2639852314 0.30765411924
S 1
1 0.51427489953 1.0000000
S 1
1 0.77030885901E-01 1.0000000
S 1
1 0.28938896433E-01 1.0000000
P 1
1 3.3270000 1.0000000
P 1
1 0.4000000 1.0000000
P 1
1 0.0600000 1.0000000
P 1
1 0.20097234766E-01 1.0000000
BERYLLIUM
S 6
1 4700.2365626 0.23584389316E-03
2 704.82845622 0.18243791019E-02
3 160.43110478 0.93966148224E-02
4 45.425347336 0.36908924159E-01
5 14.798334125 0.10897561281
6 5.3512452537 0.21694284551
S 2
1 2.1542044819 0.44695408857
2 0.93363744400 0.20866985771
S 1
1 0.18791432989 1.0000000
S 1
1 0.74648267947E-01 1.0000000
S 1
1 0.32650484598E-01 1.0000000
P 2
1 0.71695694366 -0.16877854032
2 0.19541932860 -0.51403419628
P 1
1 3.6316917145 -.29033998305E-01
P 1
1 0.60515465890E-01 1.0000000
P 1
1 0.27726324608E-01 1.0000000
D 1
1 0.1800000 1.0000000
BORON
S 6
1 8564.8660687 0.22837198155E-03
2 1284.1516263 0.17682576447E-02
3 292.27871604 0.91407080516E-02
4 82.775469176 0.36342638989E-01
5 27.017939269 0.11063458441
6 9.8149619660 0.23367344321
S 2
1 3.9318559059 0.41818777978
2 1.6595599712 0.22325473798
S 1
1 0.35762965239 1.0000000
S 1
1 0.14246277496 1.0000000
S 1
1 0.60560594768E-01 1.0000000
S 1
1 0.31334737069E-01 1.0000000
P 4
1 22.453875803 0.50265575179E-02
2 5.1045058330 0.32801738965E-01
3 1.4986081344 0.13151230768
4 0.50927831315 0.33197167769
P 1
1 0.18147077798 .47314319570
P 1
1 0.64621893904E-01 .25802783943
D 1
1 0.66100000 1.0000000
D 1
1 0.19900000 1.0000000
D 1
1 0.59549085820E-01 1.0000000
F 1
1 0.49000000 1.0000000
CARBON
S 6
1 13575.3496820 0.22245814352E-03
2 2035.2333680 0.17232738252E-02
3 463.22562359 0.89255715314E-02
4 131.20019598 0.35727984502E-01
5 42.853015891 0.11076259931
6 15.584185766 0.24295627626
S 2
1 6.2067138508 0.41440263448
2 2.5764896527 0.23744968655
S 1
1 0.57696339419 1.0000000
S 1
1 0.22972831358 1.0000000
S 1
1 0.95164440028E-01 1.0000000
S 1
1 0.48475401370E-01 1.0000000
P 4
1 34.697232244 0.53333657805E-02
2 7.9582622826 0.35864109092E-01
3 2.3780826883 0.14215873329
4 0.81433208183 0.34270471845
P 1
1 0.28887547253 .46445822433
P 1
1 0.10056823671 .24955789874
D 1
1 1.09700000 1.0000000
D 1
1 0.31800000 1.0000000
D 1
1 0.90985336424E-01 1.0000000
F 1
1 0.76100000 1.0000000
NITROGEN
S 6
1 19730.8006470 0.21887984991E-03
2 2957.8958745 0.16960708803E-02
3 673.22133595 0.87954603538E-02
4 190.68249494 0.35359382605E-01
5 62.295441898 0.11095789217
6 22.654161182 0.24982972552
S 2
1 8.9791477428 0.40623896148
2 3.6863002370 0.24338217176
S 1
1 0.84660076805 1.0000000
S 1
1 0.33647133771 1.0000000
S 1
1 0.13647653675 1.0000000
S 1
1 0.68441605847E-01 1.0000000
P 4
1 49.200380510 0.55552416751E-02
2 11.346790537 0.38052379723E-01
3 3.4273972411 0.14953671029
4 1.1785525134 0.34949305230
P 1
1 0.41642204972 .45843153697
P 1
1 0.14260826011 .24428771672
D 1
1 1.65400000 1.0000000
D 1
1 0.46900000 1.0000000
D 1
1 0.12829642058 1.0000000
F 1
1 1.09300000 1.0000000
OXYGEN
S 6
1 27032.3826310 0.21726302465E-03
2 4052.3871392 0.16838662199E-02
3 922.32722710 0.87395616265E-02
4 261.24070989 0.35239968808E-01
5 85.354641351 0.11153519115
6 31.035035245 0.25588953961
S 2
1 12.260860728 0.39768730901
2 4.9987076005 0.24627849430
S 1
1 1.1703108158 1.0000000
S 1
1 0.46474740994 1.0000000
S 1
1 0.18504536357 1.0000000
S 1
1 0.70288026270E-01 1.0000000
P 4
1 63.274954801 0.60685103418E-02
2 14.627049379 0.41912575824E-01
3 4.4501223456 0.16153841088
4 1.5275799647 0.35706951311
P 1
1 0.52935117943 .44794207502
P 1
1 0.17478421270 .24446069663
P 1
1 0.51112745706E-01 1.0000000
D 1
1 2.31400000 1.0000000
D 1
1 0.64500000 1.0000000
D 1
1 0.14696477366 1.0000000
F 1
1 1.42800000 1.0000000
FLUORINE
S 6
1 35479.1004410 0.21545014888E-03
2 5318.4728983 0.16700686527E-02
3 1210.4810975 0.86733211476E-02
4 342.85518140 0.35049933175E-01
5 112.01943181 0.11165320133
6 40.714740248 0.25988506647
S 2
1 16.039678111 0.39422966880
2 6.5038186740 0.24998238551
S 1
1 1.5440477509 1.0000000
S 1
1 0.61223452862 1.0000000
S 1
1 0.24027979698 1.0000000
S 1
1 0.90918446478E-01 1.0000000
P 4
1 80.233900483 0.63685999134E-02
2 18.594010743 0.44303143530E-01
3 5.6867902653 0.16867248708
4 1.9511006294 0.36166346255
P 1
1 0.66970211298 .44202901491
P 1
1 0.21651300410 .24319875730
P 1
1 0.59613282472E-01 1.0000000
D 1
1 3.10700000 1.0000000
D 1
1 0.85500000 1.0000000
D 1
1 0.18608388111 1.0000000
F 1
1 1.91700000 1.0000000
NEON
S 6
1 45069.4640220 0.21687155182E-03
2 6755.9768656 0.16812736757E-02
3 1537.6502864 0.87356062782E-02
4 435.51697667 0.35361266922E-01
5 142.28655638 0.11321521454
6 51.692153804 0.26654653104
S 2
1 20.315870490 0.39631959951
2 8.2021942646 0.25582811251
S 1
1 1.9681276278 1.0000000
S 1
1 0.77904756001 1.0000000
S 1
1 0.30229502043 1.0000000
S 1
1 0.11246533684 1.0000000
P 4
1 99.782996032 0.65569234163E-02
2 23.176124101 0.45888009138E-01
3 7.1163945872 0.17331287812
4 2.4418711435 0.36475267512
P 1
1 0.83389605766 .43831075171
P 1
1 0.26607311301 .24160029835
P 1
1 0.71067552401E-01 1.0000000
D 1
1 4.01400000 1.0000000
D 1
1 1.09600000 1.0000000
D 1
1 0.23044808390 1.0000000
F 1
1 2.54400000 1.0000000
SODIUM
S 7
1 26041.1099270 0.61806342811E-03
2 3906.1268548 0.47748604414E-02
3 888.97454993 0.24471684829E-01
4 251.45497961 0.94755394977E-01
5 81.650143512 0.26867496920
6 28.904158401 0.47925475440
7 10.625782932 0.33248591469
S 3
1 53.769410179 0.19527731872E-01
2 16.308243025 0.92648010794E-01
3 2.3730384125 -0.39938670172
S 2
1 0.95730772603 1.6428595391
2 0.40806460959 0.55692596966
S 1
1 0.49967582329E-01 1.0000000
S 1
1 0.19268616250E-01 1.0000000
P 5
1 138.07979989 0.57951891929E-02
2 32.232700393 0.41620846251E-01
3 9.9816075360 0.16281916885
4 3.4822033928 0.36011784647
5 1.2299134620 0.44858979889
P 1
1 0.41743959423 .23040759559
P 1
1 0.0910000 1.0000000
P 1
1 0.0300000 1.0000000
P 1
1 0.11082810218E-01 1.0000000
D 1
1 2.6090000 1.0000000
D 1
1 0.4300000 1.0000000
D 1
1 0.1000000 1.0000000
MAGNESIUM
S 7
1 31438.3495550 0.60912311326E-03
2 4715.5153354 0.47066196465E-02
3 1073.1629247 0.24135820657E-01
4 303.57238768 0.93628959834E-01
5 98.626251042 0.26646742093
6 34.943808417 0.47890929917
7 12.859785199 0.33698490286
S 3
1 64.876913004 0.19180889307E-01
2 19.725520777 0.90913704392E-01
3 2.8951804339 -0.39563756125
S 2
1 1.1960454710 1.6827603373
2 0.54329451156 0.52141091954
S 1
1 0.10099104092 1.0000000
S 1
1 0.36865728085E-01 1.0000000
P 5
1 179.87189612 0.53799549018E-02
2 42.120069376 0.39318014098E-01
3 13.120503032 0.15740129476
4 4.6257503609 0.35919094128
5 1.6695211016 0.45533379310
P 1
1 0.58551012105 .21986432910
P 1
1 0.18914796195 1.0000000
P 1
1 0.53768755187E-01 1.0000000
P 1
1 0.24576992970E-01 1.0000000
D 1
1 3.4440000 1.0000000
D 1
1 0.2900000 1.0000000
D 1
1 0.0700000 1.0000000
ALUMINUM
S 7
1 37792.5507720 0.57047888709E-03
2 5668.0682165 0.44093016538E-02
3 1289.8582841 0.22630967411E-01
4 364.86596028 0.88025644295E-01
5 118.57631515 0.25223701612
6 42.024867605 0.45960547169
7 15.499501629 0.33277886014
S 3
1 75.208026598 0.19250560190E-01
2 23.031408972 0.87906743952E-01
3 3.6348797649 -0.34246704535
S 2
1 1.6065049957 1.5106266058
2 0.76103394581 0.58071016470
S 1
1 0.16556708849 1.0000000
S 1
1 0.60041577113E-01 1.0000000
S 1
1 0.28536651434E-01 1.0000000
P 5
1 452.52303192 0.23110812466E-02
2 107.08195049 0.18568641823E-01
3 34.131021255 0.87216237035E-01
4 12.587037428 0.26902101523
5 4.9811919704 0.52128324272
P 1
1 2.0070350900 .60271687494
P 1
1 0.80083714374 1.0000000
P 1
1 0.20178927472 1.0000000
P 1
1 0.57895550392E-01 1.0000000
D 2
1 1.57000000 0.20000000
2 0.333000000 1.00000000
D 1
1 0.111000000 1.0000000
D 1
1 0.41068707243E-01 1.0000000
F 1
1 0.244000000 1.0000000
SILICON
S 7
1 44773.3580780 0.55914765868E-03
2 6717.1992104 0.43206040189E-02
3 1528.8960325 0.22187096460E-01
4 432.54746585 0.86489249116E-01
5 140.61505226 0.24939889716
6 49.857636724 0.46017197366
7 18.434974885 0.34250236575
S 3
1 86.533886111 0.21300063007E-01
2 26.624606846 0.94676139318E-01
3 4.4953057159 -0.32616264859
S 2
1 2.1035045710 1.3980803850
2 1.0106094922 0.63865786699
S 1
1 0.23701751489 1.0000000
S 1
1 0.85703405362E-01 1.0000000
S 1
1 0.37000771280E-01 1.0000000
P 5
1 394.47503628 0.26285693959E-02
2 93.137683104 0.20556257749E-01
3 29.519608742 0.92070262801E-01
4 10.781663791 0.25565889739
5 4.1626574778 0.42111707185
P 1
1 1.6247972989 .34401746318
P 1
1 0.54306660493 1.0000000
P 1
1 0.20582073956 1.0000000
P 1
1 0.70053487306E-01 1.0000000
D 2
1 2.30300000 0.20000000
2 0.476000000 1.00000000
D 1
1 0.160000000 1.0000000
D 1
1 0.55036090333E-01 1.0000000
F 1
1 0.336000000 1.0000000
PHOSPHORUS
S 7
1 52426.9992330 0.55207164100E-03
2 7863.2660552 0.42678595308E-02
3 1789.5227333 0.21931529186E-01
4 506.27300165 0.85667168373E-01
5 164.60698546 0.24840686605
6 58.391918722 0.46336753971
7 21.643663201 0.35350558156
S 3
1 99.013837620 0.21895679958E-01
2 30.550439817 0.95650470295E-01
3 5.4537087661 -0.29454270186
S 2
1 2.6503362563 1.3294381200
2 1.2726688867 0.66109396473
S 1
1 0.31645005203 1.0000000
S 1
1 0.11417466938 1.0000000
S 1
1 0.48831315225E-01 1.0000000
P 5
1 472.27219248 0.25710623052E-02
2 111.58882756 0.20250297999E-01
3 35.445936418 0.91580716787E-01
4 12.990776875 0.25749454014
5 5.0486221658 0.42862899758
P 1
1 1.9934049566 .34359817849
P 1
1 0.66527284430 1.0000000
P 1
1 0.25516832128 1.0000000
P 1
1 0.90357762251E-01 1.0000000
D 2
1 3.12000000 0.20000000
2 0.648000000 1.00000000
D 1
1 0.218000000 1.0000000
D 1
1 0.73569545334E-01 1.0000000
F 1
1 0.452000000 1.0000000
SULFUR
S 7
1 60700.9281040 0.54695944225E-03
2 9102.6106854 0.42297224557E-02
3 2071.4166009 0.21747824159E-01
4 586.02476821 0.85100053589E-01
5 190.55395021 0.24799128459
6 67.630384260 0.46703640406
7 25.127306905 0.36434587550
S 3
1 112.57463010 0.21670040240E-01
2 34.795554217 0.93602301760E-01
3 6.5115556215 -0.26068001422
S 2
1 3.2399032261 1.2842089435
2 1.5477160881 0.66036416584
S 1
1 0.40541030112 1.0000000
S 1
1 0.14550651059 1.0000000
S 1
1 0.50178839540E-01 1.0000000
P 5
1 564.36716027 0.24796796317E-02
2 133.42624379 0.19677930250E-01
3 42.468271189 0.89980008258E-01
4 15.616527580 0.25705880575
5 6.1093988469 0.43515167292
P 1
1 2.4404160198 .34883240595
P 1
1 0.83882201296 1.0000000
P 1
1 0.31288746900 1.0000000
P 1
1 0.10770109004 1.0000000
P 1
1 0.30359833649E-01 1.0000000
D 2
1 3.75600000 0.20000000
2 0.812000000 1.00000000
D 1
1 0.273000000 1.0000000
D 1
1 0.81547024970E-01 1.0000000
F 1
1 0.557000000 1.0000000
CHLORINE
S 7
1 69507.9909450 0.54314897497E-03
2 10426.1568800 0.41990463961E-02
3 2373.2334061 0.21592141679E-01
4 671.56420071 0.84598850094E-01
5 218.41999790 0.24757249724
6 77.572249714 0.47016930228
7 28.888815277 0.37436370716
S 3
1 127.10527185 0.25182166603E-01
2 39.339582961 0.10786112456
3 7.6740679989 -0.27408821574
S 2
1 3.8745627630 1.3213875014
2 1.8385832573 0.68636955368
S 1
1 0.50229057542 1.0000000
S 1
1 0.17962723420 1.0000000
S 1
1 0.61133095854E-01 1.0000000
P 5
1 666.50423284 0.23632663836E-02
2 157.64241690 0.18879300374E-01
3 50.262520978 0.87206341273E-01
4 18.536078105 0.25285612970
5 7.2940532777 0.43507154820
P 1
1 2.9433248995 .35026513165
P 1
1 1.0404970818 1.0000000
P 1
1 0.38456415080 1.0000000
P 1
1 0.13069642732 1.0000000
P 1
1 0.35381580722E-01 1.0000000
D 2
1 4.61000000 0.20000000
2 1.01100000 1.00000000
D 1
1 0.339000000 1.0000000
D 1
1 0.99601358790E-01 1.0000000
F 1
1 0.706000000 1.0000000
ARGON
S 7
1 79111.4229980 0.51029325002E-03
2 11864.7460090 0.39463036981E-02
3 2700.1642973 0.20307073910E-01
4 763.95943485 0.79691825214E-01
5 248.45150561 0.23420623836
6 88.283581000 0.44833849481
7 32.948607069 0.36408167400
S 3
1 142.55358000 0.26387407001E-01
2 44.163688009 0.11226433999
3 8.9524995000 -0.26178922001
S 2
1 4.5546920941 1.3002484998
2 2.1444079001 0.67197237009
S 1
1 0.60708777004 1.0000000
S 1
1 0.21651431999 1.0000000
S 1
1 0.73732186754E-01 1.0000000
P 5
1 776.77541998 0.22028005003E-02
2 183.80107018 0.17694180008E-01
3 58.694003175 0.82431293717E-01
4 21.701591695 0.24207278863
5 8.5821489635 0.42263558251
P 1
1 3.4922679161 .34151806086
P 1
1 1.2637426998 1.0000000
P 1
1 0.46607870005 1.0000000
P 1
1 0.15766003000 1.0000000
P 1
1 0.41779128551E-01 1.0000000
D 2
1 5.55100000 0.20000000
2 1.23500000 1.00000000
D 1
1 0.412000000 1.0000000
D 1
1 0.12039311859 1.0000000
F 1
1 0.890000000 1.0000000
POTASSIUM
S 8
1 153976.1832500 0.23662636107E-03
2 23082.4976720 0.18342929137E-02
3 5253.2344745 0.95310527769E-02
4 1486.9550133 0.38638406980E-01
5 484.06333726 0.12480768502
6 173.56653980 0.29278861009
7 67.116381464 0.40633425860
8 26.339502054 0.20077215860
S 4
1 172.87693567 -0.24200960936E-01
2 53.058649063 -0.11553095040
3 7.9212753964 0.57455545175
4 3.2108880472 0.57023185107
S 2
1 4.5662070895 -0.22615763466
2 0.70209907282 0.75528392045
S 1
1 0.28258942635 1.0000000
S 1
1 0.35805824617E-01 1.0000000
S 1
1 0.15819213245E-01 1.0000000
P 6
1 728.18449873 0.26150689792E-02
2 172.13265061 0.20673630835E-01
3 54.829847075 0.93205603870E-01
4 20.166266494 0.25436518210
5 7.8610728806 0.39131132810
6 3.1105213132 0.22481345943
P 3
1 11.757337492 -0.25777289217E-01
2 1.5139617411 0.57359428604
3 0.58328591795 1.0798320002
P 1
1 0.21570478076 1.0000000
P 1
1 0.0417370 1.0000000
P 1
1 0.15208000000E-01 1.0000000
D 1
1 0.9300000 1.0000000
D 1
1 0.1800000 1.0000000
D 1
1 0.0540000 1.0000000
CALCIUM
S 8
1 172517.3268500 0.23317502546E-03
2 25861.5192750 0.18076521980E-02
3 5885.6618668 0.93943844255E-02
4 1665.9730031 0.38108409009E-01
5 542.36718148 0.12331203853
6 194.57803492 0.29004470954
7 75.303597636 0.40587151157
8 29.574062589 0.20398410743
S 4
1 191.20074660 -0.24419759759E-01
2 58.840299883 -0.11547027448
3 8.9642540845 0.56356636717
4 3.6856960541 0.56709682704
S 2
1 5.2464289726 -0.22825334325
2 0.84862621528 0.72625219172
S 1
1 0.36743300538 1.0000000
S 1
1 0.66821582613E-01 1.0000000
S 1
1 0.26759730445E-01 1.0000000
P 6
1 836.97262058 0.25258346092E-02
2 197.93040142 0.20076506686E-01
3 63.135558054 0.91302987366E-01
4 23.282687170 0.25247029915
5 9.1176444932 0.39426326344
6 3.6336120139 0.23011559492
P 3
1 13.494163120 -0.26495021951E-01
2 1.8139259790 0.55088108210
3 0.71981826006 1.0280616620
P 1
1 0.27629576992 1.0000000
P 1
1 0.0749790 1.0000000
P 1
1 0.0269270 1.0000000
D 2
1 5.4979093879 0.73770011433E-01
2 1.3177128032 0.26052853169
D 1
1 0.32188682649 0.45233836380
D 1
1 0.70528614919E-01 1.0000000
SCANDIUM
S 8
1 191612.9187400 0.23076475942E-03
2 28723.8503630 0.17890329946E-02
3 6537.0116490 0.92990401140E-02
4 1850.3097171 0.37739438011E-01
5 602.38855156 0.12227148359
6 216.17324766 0.28814821470
7 83.712517880 0.40517543099
8 32.908707189 0.20566019623
S 4
1 211.34393234 -0.24527991462E-01
2 65.128920139 -0.11570158142
3 10.034311535 0.55995283317
4 4.1596884597 0.56087765073
S 2
1 6.0009041613 -0.22840494325
2 0.98255784150 0.71948970378
S 1
1 0.42483192773 1.0000000
S 1
1 0.77185462096E-01 1.0000000
S 1
1 0.30147219702E-01 1.0000000
P 6
1 947.34122823 0.24737208744E-02
2 224.09699732 0.19742967060E-01
3 71.560334882 0.90357147549E-01
4 26.444824490 0.25201602503
5 10.393798285 0.39675535929
6 4.1606304559 0.23208624517
P 3
1 15.565737135 -0.27129423974E-01
2 2.1121544865 0.55109256629
3 0.84184709021 1.0090635806
P 1
1 0.32297542652 1.0000000
P 1
1 0.0897480 1.0000000
P 1
1 0.22452578888E-01 1.0000000
D 4
1 30.989390993 0.11902837431E-01
2 8.6905465069 0.67655856850E-01
3 2.9520256337 0.21332539722
4 1.0761910745 0.38391075578
D 1
1 0.38338915095 .43354716259
D 1
1 0.12534686113 .24509263822
D 1
1 0.0410000 1.0000000
F 1
1 0.3450000 1.0000000
TITANIUM
S 8
1 211575.6902500 0.23318151011E-03
2 31714.9450580 0.18079690851E-02
3 7217.5476543 0.93984311352E-02
4 2042.9394247 0.38156853618E-01
5 665.12896208 0.12374757197
6 238.74942264 0.29208551143
7 92.508691001 0.41226800855
8 36.403919209 0.21090534061
S 4
1 232.72624607 -0.24920140738E-01
2 71.791209711 -0.11746490087
3 11.158534615 0.56503342318
4 4.6548135416 0.56211101812
S 2
1 6.8034629174 -0.23011425503
2 1.1201076403 0.72103186735
S 1
1 0.48080118839 1.0000000
S 1
1 0.85157274977E-01 1.0000000
S 1
1 0.32657477046E-01 1.0000000
P 6
1 1063.1474732 0.24690839320E-02
2 251.56507061 0.19773345523E-01
3 80.408554854 0.90987976672E-01
4 29.768193269 0.25559900413
5 11.736830556 0.40489386764
6 4.7142375230 0.23693402558
P 3
1 17.796803704 -0.27878639615E-01
2 2.4272698680 0.55672914668
3 0.96823445537 1.0055447350
P 1
1 0.37056694165 1.0000000
P 1
1 0.1015610 1.0000000
P 1
1 0.22796494396E-01 1.0000000
D 4
1 37.713384723 0.11513835092E-01
2 10.692931184 0.67246343996E-01
3 3.6728446990 0.21484207775
4 1.3588590303 0.38890892779
D 1
1 0.49213295253 .43040835243
D 1
1 0.16330520653 .23253305465
D 1
1 0.0540000 1.0000000
F 1
1 0.5620000 1.0000000
VANADIUM
S 8
1 232340.6505800 0.23072410092E-03
2 34828.8411700 0.17888178962E-02
3 7926.5448691 0.92992490131E-02
4 2243.7733046 0.37761463347E-01
5 730.59322944 0.12255909662
6 262.32219631 0.28963508811
7 101.70403805 0.41004702955
8 40.064784617 0.21113610858
S 4
1 255.24014968 -0.24458116338E-01
2 78.804646961 -0.11527205366
3 12.340598946 0.55174749453
4 5.1742019219 0.54504528489
S 2
1 7.6513894469 -0.22967638286
2 1.2639759898 0.71683769077
S 1
1 0.53861761721 1.0000000
S 1
1 0.92719296124E-01 1.0000000
S 1
1 0.34998055176E-01 1.0000000
P 6
1 1184.2369151 0.24449826729E-02
2 280.23075192 0.19643454466E-01
3 89.643627137 0.90796949190E-01
4 33.242411253 0.25650768222
5 13.144514452 0.40815393750
6 5.2948534140 0.23860378268
P 3
1 20.175586851 -0.28241489023E-01
2 2.7605865197 0.55574635619
3 1.1008900902 0.99319919270
P 1
1 0.42013310739 1.0000000
P 1
1 0.1112480 1.0000000
P 1
1 0.25995909929E-01 1.0000000
D 4
1 43.861134864 0.11487174238E-01
2 12.516021891 0.68247153977E-01
3 4.3313854957 0.21837784195
4 1.6138855773 0.39245212296
D 1
1 0.58749573961 .42634466786
D 1
1 0.19515723011 .22646562601
D 1
1 0.0650000 1.0000000
F 1
1 0.8310000 1.0000000
CHROMIUM
S 8
1 254477.8070400 0.23386945693E-03
2 38131.7970540 0.18142601800E-02
3 8675.2930607 0.94363925721E-02
4 2455.0099848 0.38343639367E-01
5 799.16217787 0.12459194837
6 286.90021489 0.29489696029
7 111.25413232 0.41846149607
8 43.864152636 0.21633763420
S 4
1 279.32669173 -0.23450908111E-01
2 86.274732376 -0.11080370027
3 13.555756113 0.53028965842
4 5.6978112751 0.51603516947
S 2
1 8.5636582615 -0.38109545675
2 1.3988296768 1.1991591436
S 1
1 0.57288171116 1.0000000
S 1
1 0.90096171317E-01 1.0000000
S 1
1 0.34125885135E-01 1.0000000
P 6
1 1306.4398864 0.24277326185E-02
2 309.25311441 0.19544041017E-01
3 98.996273963 0.90651794553E-01
4 36.756916451 0.25699279154
5 14.566657077 0.40935504891
6 5.8739937432 0.23729388849
P 3
1 22.890999695 -0.28166026613E-01
2 3.0855001822 0.56034120148
3 1.2132329118 0.98119019650
P 1
1 0.44931680699 1.0000000
P 1
1 0.1206750 1.0000000
P 1
1 0.25923467275E-01 1.0000000
D 4
1 43.720074476 0.13622964026E-01
2 12.391242652 0.78935180133E-01
3 4.2639442006 0.23833840000
4 1.5525221790 0.39526851122
D 1
1 0.53761929485 .41061717056
D 1
1 0.16493173074 .24440410795
D 1
1 0.0510000 1.0000000
F 1
1 1.1470000 1.0000000
MANGANESE
S 8
1 277185.0015300 0.22838385133E-03
2 41550.7698900 0.17707650375E-02
3 9455.9700152 0.92077209994E-02
4 2676.5206482 0.37415971825E-01
5 871.46687530 0.12164861426
6 312.98306420 0.28824392499
7 121.44454051 0.41041600847
8 47.922598829 0.21372375145
S 4
1 303.66723163 -0.24589926140E-01
2 93.881403187 -0.11602608038
3 14.879421214 0.55112059677
4 6.2865200745 0.53707560756
S 2
1 9.4858591337 -0.22889262695
2 1.5698706158 0.71196169587
S 1
1 0.65903213608 1.0000000
S 1
1 0.10686292371 1.0000000
S 1
1 0.39267435433E-01 1.0000000
P 6
1 1444.7978182 0.23994136455E-02
2 342.06551197 0.19369286864E-01
3 109.58400891 0.90236108988E-01
4 40.747988173 0.25745467851
5 16.188626566 0.41272351958
6 6.5484505964 0.24087700007
P 3
1 25.357086437 -0.28707174058E-01
2 3.4830168782 0.55208100712
3 1.3858800906 0.97226901379
P 1
1 0.52555094893 1.0000000
P 1
1 0.1276500 1.0000000
P 1
1 0.30240117841E-01 1.0000000
D 4
1 56.563189119 0.11543245294532E-01
2 16.278734711 0.70299845987196E-01
3 5.6964273914 0.22450770821295
4 2.1411147942 0.39703065434226
D 1
1 0.78291801938 .41941039165375
D 1
1 0.25952311214 .21887261672743
D 1
1 0.0860000 1.0000000
F 1
1 1.3260000 1.0000000
IRON
S 8
1 300784.8463700 0.22806273096E-03
2 45088.9705570 0.17681788761E-02
3 10262.5163170 0.91927083490E-02
4 2905.2897293 0.37355495807E-01
5 946.11487137 0.12151108426
6 339.87832894 0.28818881468
7 131.94425588 0.41126612677
8 52.111494077 0.21518583573
S 4
1 329.48839267 -0.24745216477E-01
2 101.92332739 -0.11683089050
3 16.240462745 0.55293621136
4 6.8840675801 0.53601640182
S 2
1 10.470693782 -0.22912708577
2 1.7360039648 0.71159319984
S 1
1 0.72577288979 1.0000000
S 1
1 0.11595528203 1.0000000
S 1
1 0.41968227746E-01 1.0000000
P 6
1 1585.3959970 0.23793960179E-02
2 375.38006499 0.19253154755E-01
3 120.31816501 0.90021836536E-01
4 44.788749031 0.25798172356
5 17.829278584 0.41492649744
6 7.2247153786 0.24207474784
P 3
1 28.143219756 -0.29041755152E-01
2 3.8743241412 0.55312260343
3 1.5410752281 0.96771136842
P 1
1 0.58285615250 1.0000000
P 1
1 0.1349150 1.0000000
P 1
1 0.32659193959E-01 1.0000000
D 4
1 61.996675034 0.11971972255E-01
2 17.873732552 0.73210135410E-01
3 6.2744782934 0.23103094314
4 2.3552337175 0.39910706494
D 1
1 0.85432239901 .41391589765
D 1
1 0.27869254413 .21909269782
D 1
1 0.0910000 1.0000000
F 1
1 1.5980000 1.0000000
COBALT
S 8
1 325817.0155300 0.22568462484E-03
2 48839.6364530 0.17499397533E-02
3 11114.9373070 0.91003134097E-02
4 3146.1603642 0.36996256837E-01
5 1024.4378465 0.12044269621
6 368.02508816 0.28598731649
7 142.91229205 0.40908312004
8 56.482649209 0.21500145739
S 4
1 356.40298318 -0.24767059678E-01
2 110.31165215 -0.11702139134
3 17.659634834 0.55215522200
4 7.5059030479 0.53246877060
S 2
1 11.501807176 -0.22942470077
2 1.9081994606 0.71180933514
S 1
1 0.79396696891 1.0000000
S 1
1 0.12444448829 1.0000000
S 1
1 0.44444645379E-01 1.0000000
P 6
1 1731.1369144 0.23905767685E-02
2 409.91750438 0.19382999967E-01
3 131.45648578 0.90905448509E-01
4 48.987439714 0.26146681577
5 19.537078992 0.42157264570
6 7.9287281634 0.24571813557
P 3
1 31.076017584 -0.29438069973E-01
2 4.2835180697 0.55615568168
3 1.7022921563 0.96772195064
P 1
1 0.64202908602 1.0000000
P 1
1 0.1413080 1.0000000
P 1
1 0.34811056587E-01 1.0000000
D 4
1 68.140745239 0.11983845360E-01
2 19.685241019 0.73688540475E-01
3 6.9322128825 0.23085496779
4 2.6025125694 0.39281059225
D 1
1 0.94016837302 .40203412228
D 1
1 0.30381457794 .21415606743
D 1
1 0.0980000 1.0000000
F 1
1 1.9030000 1.0000000
NICKEL
S 8
1 351535.7293500 0.22529386884E-03
2 52695.8092830 0.17468616223E-02
3 11992.4682930 0.90849992136E-02
4 3394.5776689 0.36940748447E-01
5 1105.3594585 0.12032819950
6 397.14677769 0.28596715057
7 154.27542974 0.40983020196
8 61.018723780 0.21620642851
S 4
1 384.45559739 -0.24651279268E-01
2 119.04879199 -0.11658505277
3 19.137012223 0.54864126676
4 8.1526718562 0.52640051122
S 2
1 12.579408642 -0.22797884293
2 2.0870866081 0.70703738215
S 1
1 0.86432568555 1.0000000
S 1
1 0.13283169217 1.0000000
S 1
1 0.46845327726E-01 1.0000000
P 6
1 1883.0907486 0.23748258443E-02
2 445.95155320 0.19289457172E-01
3 143.08430815 0.90718211507E-01
4 53.372920722 0.26181414117
5 21.321919357 0.42309149832
6 8.6643561994 0.24641686015
P 3
1 34.144255211 -0.29677129163E-01
2 4.7122455921 0.55616824096
3 1.8709231845 0.96357766460
P 1
1 0.70370016267 1.0000000
P 1
1 0.1465880 1.0000000
P 1
1 0.36887339850E-01 1.0000000
D 4
1 74.591603465 0.12077454672E-01
2 21.590632752 0.74637262154E-01
3 7.6246142580 0.23236775502
4 2.8632206762 0.39042651680
D 1
1 1.0311063388 .39509498921
D 1
1 0.33060760691 .21138769167
D 1
1 0.1060000 1.0000000
F 1
1 2.1740000 1.0000000
COPPER
S 8
1 377518.7992300 0.22811766128E-03
2 56589.9843110 0.17688035931E-02
3 12878.7117060 0.91993460227E-02
4 3645.3752143 0.37411016434E-01
5 1187.0072945 0.12189873737
6 426.46421902 0.28983900714
7 165.70660164 0.41531872174
8 65.598942707 0.21905799287
S 4
1 414.41265811 -0.24682525053E-01
2 128.32056039 -0.11716827406
3 20.622089750 0.55301315941
4 8.7821226045 0.52242718609
S 2
1 13.741372006 -0.22736061821
2 2.2431246833 0.71761210873
S 1
1 0.89370549079 1.0000000
S 1
1 0.10836699534 1.0000000
S 1
1 0.38806178058E-01 1.0000000
P 6
1 2034.7596692 0.23524822298E-02
2 481.90468106 0.19134070751E-01
3 154.67482963 0.90171105278E-01
4 57.740576969 0.26063284735
5 23.099052811 0.42093485770
6 9.3882478591 0.24344615121
P 3
1 37.596171210 -0.28991094530E-01
2 5.1240690810 0.54919083831
3 2.0119996085 0.93793330488
P 1
1 0.73860686002 1.0000000
P 1
1 0.1550650 1.0000000
P 1
1 0.34015997020E-01 1.0000000
D 4
1 74.129460637 0.14363216676E-01
2 21.359842587 0.86628177096E-01
3 7.4995240537 0.25631430541
4 2.7601394169 0.40374062368
D 1
1 0.95362061236 .39427042447
D 1
1 0.28420862520 .23091146816
D 1
1 0.0850000 1.0000000
F 1
1 2.2330000 1.0000000
ZINC
S 8
1 405924.3102800 0.22442017483E-03
2 60846.9557350 0.17402086626E-02
3 13847.3430920 0.90513339565E-02
4 3919.6158551 0.36817341445E-01
5 1276.3594167 0.12004850256
6 458.67254435 0.28576057621
7 178.28725246 0.41087462062
8 70.612192837 0.21816962456
S 4
1 443.88077950 -0.24934274984E-01
2 137.55875267 -0.11817955766
3 22.268083479 0.55367318468
4 9.5217310606 0.52628934936
S 2
1 14.874114065 -0.22929955254
2 2.4647517612 0.71135484742
S 1
1 1.0113272238 1.0000000
S 1
1 0.14919852089 1.0000000
S 1
1 0.51441872981E-01 1.0000000
P 6
1 2205.3508534 0.23356240448E-02
2 522.35300699 0.19031022634E-01
3 167.73055542 0.89955758675E-01
4 62.670045373 0.26113248631
5 25.109749456 0.42348448173
6 10.225142681 0.24618926885
P 3
1 40.713442521 -0.30029667592E-01
2 5.6247090696 0.55575254864
3 2.2279949116 0.95581013442
P 1
1 0.83354741691 1.0000000
P 1
1 0.1624550 1.0000000
P 1
1 0.0477690 1.0000000
P 1
1 0.21234841485E-01 1.0000000
D 4
1 88.554315311 0.12728170015E-01
2 25.721525557 0.79394499843E-01
3 9.1278367624 0.24491506805
4 3.4312364064 0.40390526479
D 1
1 1.2308920645 .40158491145
D 1
1 0.39031845112 .21579805034
D 1
1 0.1240000 1.0000000
F 1
1 2.6140000 1.0000000
GALLIUM
S 8
1 435548.6625400 0.23646329650E-03
2 65289.5890310 0.18335271776E-02
3 14858.7842560 0.95371863081E-02
4 4205.9734729 0.38803412468E-01
5 1369.6416431 0.12661604848
6 492.30348905 0.30175310292
7 191.41923233 0.43543934218
8 75.840558665 0.23282363780
S 4
1 474.30810613 -0.26743707958E-01
2 147.10297560 -0.12654657542
3 23.982599435 0.58840346839
4 10.298230094 0.56324271589
S 2
1 16.050381430 -0.24516439508
2 2.6988468784 0.74578049593
S 1
1 1.1428588736 1.0000000
S 1
1 0.20217652251 1.0000000
S 1
1 0.71980152032E-01 1.0000000
S 1
1 0.30102057284E-01 1.0000000
P 6
1 2432.0171070 0.22434065928E-02
2 576.12049582 0.18342265336E-01
3 185.11584354 0.87279697167E-01
4 69.246572556 0.25684868351
5 27.818107777 0.42398378107
6 11.420229938 0.25701340043
P 3
1 42.819661530 -0.19326519119E-01
2 6.3885901000 0.31571386917
3 2.6698993326 0.57617792822
P 1
1 1.0781783834 1.0000000
P 1
1 0.22796559371 1.0000000
P 1
1 0.62836234833E-01 1.0000000
D 5
1 103.92331829 0.11464613652E-01
2 30.371094389 0.73625747383E-01
3 10.872078097 0.23505107382
4 4.1549137954 0.40318563513
5 1.5345659145 0.40824748152
D 1
1 0.51114263830 .20502439263
D 1
1 0.30622000 1.0000000
D 1
1 0.11391309 1.0000000
D 1
1 0.42871691594E-01 1.0000000
F 1
1 0.30996095 1.0000000
GERMANIUM
S 8
1 466115.0059200 0.22487264660E-03
2 69875.4207620 0.17435426729E-02
3 15903.2767160 0.90691482206E-02
4 4501.8233453 0.36906174685E-01
5 1466.0570924 0.12050167907
6 527.07841728 0.28748641703
7 205.00395074 0.41622321885
8 81.251596065 0.22397845695
S 4
1 505.74661282 -0.25184609291E-01
2 156.96593744 -0.11898929721
3 25.761448176 0.54930135870
4 11.106654687 0.52939309129
S 2
1 17.272059104 -0.22854595728
2 2.9438289048 0.68377930317
S 1
1 1.2839164916 1.0000000
S 1
1 0.25873337445 1.0000000
S 1
1 0.93524913177E-01 1.0000000
S 1
1 0.41984351140E-01 1.0000000
P 6
1 2633.9346241 0.22143925310E-02
2 624.00161628 0.18140899141E-01
3 200.58528404 0.86632184922E-01
4 75.097081525 0.25649020592
5 30.214388474 0.42658611262
6 12.440087567 0.26200527313
P 3
1 45.981316002 -0.20321767678E-01
2 6.9945654416 0.32013744527
3 2.9686001327 0.59051014555
P 1
1 1.2320988495 1.0000000
P 1
1 0.28981614974 1.0000000
P 1
1 0.85564606447E-01 1.0000000
D 5
1 119.44887581 0.10586544521E-01
2 35.062915293 0.69601280945E-01
3 12.636924529 0.22807035287
4 4.8888672922 0.40301067220
5 1.8453195392 0.41304847015
D 1
1 0.63571158892 .19639209740
D 1
1 0.35492132 1.0000000
D 1
1 0.13155709 1.0000000
D 1
1 0.56134940012E-01 1.0000000
F 1
1 0.36210645 1.0000000
ARSENIC
S 8
1 498032.4215800 0.22740196900E-03
2 74656.8687430 0.17632816413E-02
3 16990.9600040 0.91728040381E-02
4 4809.6200321 0.37337829344E-01
5 1566.2887055 0.12199536117
6 563.21360499 0.29137475324
7 219.11179978 0.42326351479
8 86.866061030 0.22921464278
S 4
1 538.19512479 -0.25254197297E-01
2 167.14850224 -0.11915461115
3 27.605517159 0.54628495980
4 11.947858521 0.53001520976
S 2
1 18.538023133 -0.23479188136
2 3.2018985739 0.69167053428
S 1
1 1.4356522077 1.0000000
S 1
1 0.31837805200 1.0000000
S 1
1 0.11622632186 1.0000000
S 1
1 0.50450200093E-01 1.0000000
P 6
1 2678.9421546 0.23318955287E-02
2 634.61765840 0.19042149977E-01
3 203.93967606 0.90229744913E-01
4 76.323890369 0.26169037693
5 30.664124943 0.41857168155
6 12.505056732 0.23447830190
P 4
1 49.256229549 -0.21235539870E-01
2 7.7274891466 0.30470206668
3 3.5410493476 0.52888373107
4 1.6985585501 0.37272250955
P 1
1 0.76848071044 1.0000000
P 1
1 0.30050823260 1.0000000
P 1
1 0.98190639437E-01 1.0000000
D 5
1 135.33289305 0.99291144106E-02
2 39.860212744 0.66568843496E-01
3 14.446428359 0.22275768307
4 5.6432900356 0.40309224382
5 2.1668188623 0.41671667946
D 1
1 0.76514970569 .18935502288
D 1
1 0.42434653 1.0000000
D 1
1 0.16331527 1.0000000
D 1
1 0.67575334568E-01 1.0000000
F 1
1 0.43271941 1.0000000
SELENIUM
S 8
1 531071.6669600 0.24108973168E-03
2 79603.0441170 0.18696431441E-02
3 18115.8442400 0.97271616536E-02
4 5127.8923194 0.39604793031E-01
5 1669.9130839 0.12948855136
6 600.57534527 0.30959437289
7 233.70021247 0.45115769216
8 92.672443932 0.24579189033
S 4
1 571.57513675 -0.26895707881E-01
2 177.63686375 -0.12670989353
3 29.517767052 0.57699001719
4 12.824399795 0.56369075408
S 2
1 19.848235841 -0.25132415534
2 3.4744018486 0.72905416980
S 1
1 1.5988910849 1.0000000
S 1
1 0.38333469387 1.0000000
S 1
1 0.14049742459 1.0000000
S 1
1 0.45053485505E-01 1.0000000
P 6
1 2815.3500566 0.25569026854E-02
2 666.92558298 0.20874026901E-01
3 214.34213188 0.98772096250E-01
4 80.246687942 0.28471821221
5 32.251081288 0.45003584934
6 13.106432562 0.24416091055
P 4
1 53.366108516 -0.21558456273E-01
2 8.1827777195 0.32662310638
3 3.6239945672 0.57740499319
4 1.6341591401 0.34301320826
P 1
1 0.58418320228 1.0000000
P 1
1 0.23966269279 1.0000000
P 1
1 0.88785134803E-01 1.0000000
P 1
1 0.26632920997E-01 1.0000000
D 5
1 151.82910279 0.93970276988E-02
2 44.839992523 0.64086503991E-01
3 16.328999510 0.21834238004
4 6.4305057612 0.40314789649
5 2.5048025169 0.41966491490
D 1
1 0.90271148434 .18366663432
D 1
1 0.47683613 1.0000000
D 1
1 0.18535160 1.0000000
D 1
1 0.64254758023E-01 1.0000000
F 1
1 0.48866905 1.0000000
BROMINE
S 8
1 565073.2525600 0.23660314690E-03
2 84701.7231790 0.18348332508E-02
3 19276.2719000 0.95465849860E-02
4 5456.4284576 0.38877142153E-01
5 1776.9503500 0.12718314231
6 639.19398276 0.30437662191
7 248.78823961 0.44490940497
8 98.678305494 0.24381643058
S 4
1 606.07824568 -0.26527158709E-01
2 188.45598484 -0.12484584809
3 31.497144506 0.56468683559
4 13.736008320 0.55555268564
S 2
1 21.203212766 -0.24940920493
2 3.7616420178 0.71213119743
S 1
1 1.7735933962 1.0000000
S 1
1 0.45197413664 1.0000000
S 1
1 0.16613377099 1.0000000
S 1
1 0.52769579657E-01 1.0000000
P 6
1 3019.6955723 0.24971049798E-02
2 715.35481126 0.20419267596E-01
3 229.98328751 0.96897148309E-01
4 86.167844615 0.28053901252
5 34.667870802 0.44606390473
6 14.113870307 0.24410073923
P 4
1 57.085653082 -0.21855950710E-01
2 8.8193845840 0.32707075320
3 3.9340302872 0.57855229520
4 1.7998830384 0.33570987698
P 1
1 0.66899410512 1.0000000
P 1
1 0.27136238231 1.0000000
P 1
1 0.10083790243 1.0000000
P 1
1 0.29005224647E-01 1.0000000
D 5
1 168.85370257 0.89663981988E-02
2 49.977949919 0.62062059316E-01
3 18.274913338 0.21474732384
4 7.2455694631 0.40335336746
5 2.8562315025 0.42208813080
D 1
1 1.0459621144 .17874813267
D 1
1 0.56865655 1.0000000
D 1
1 0.22031490 1.0000000
D 1
1 0.75865567476E-01 1.0000000
F 1
1 0.57083312 1.0000000
KRYPTON
S 8
1 600250.9757500 0.23740610399E-03
2 89976.6507810 0.18410240539E-02
3 20476.8142250 0.95795580699E-02
4 5796.1554078 0.39020650488E-01
5 1887.5913196 0.12772645628
6 679.11458519 0.30596521300
7 264.38244511 0.44857474437
8 104.88368574 0.24722957327
S 4
1 641.47370764 -0.26745279805E-01
2 199.57524820 -0.12571122567
3 33.545462954 0.56483736390
4 14.683955144 0.55972765539
S 2
1 22.603101860 -0.25298771800
2 4.0650682991 0.70992159965
S 1
1 1.9611027060 1.0000000
S 1
1 0.52465147979 1.0000000
S 1
1 0.19332399511 1.0000000
S 1
1 0.61730246979E-01 1.0000000
P 6
1 3232.9589614 0.24885607974E-02
2 765.96442694 0.20379007428E-01
3 246.33940810 0.96977188584E-01
4 92.365283041 0.28199960954
5 37.199509551 0.45116254358
6 15.172166534 0.24917131496
P 4
1 60.931321698 -0.22173603519E-01
2 9.4792600646 0.32838462778
3 4.2564686326 0.58124997120
4 1.9729313762 0.32863541783
P 1
1 0.76337108716 1.0000000
P 1
1 0.30943625526 1.0000000
P 1
1 0.11569704458 1.0000000
P 1
1 0.32364688085E-01 1.0000000
D 5
1 186.41760904 0.86120284601E-02
2 55.274124345 0.60394406304E-01
3 20.283219120 0.21181331869
4 8.0884536976 0.40366293413
5 3.2214033853 0.42402860686
D 1
1 1.1952170102 .17441742274
D 1
1 0.6480000 1.0000000
D 1
1 0.2510000 1.0000000
D 1
1 0.87900125404E-01 1.0000000
F 1
1 0.6280000 1.0000000
RUBIDIUM
S 2
1 7.4744618040 0.26997866363
2 6.7296180594 -0.42629251814
S 1
1 2.7816640004 1.0000000
S 1
1 0.53452175148 1.0000000
S 1
1 0.22368793034 1.0000000
S 1
1 0.32410407052E-01 1.0000000
S 1
1 0.14171047424E-01 1.0000000
P 4
1 5.6720643194 0.48114224135E-01
2 3.3320183956 -0.18485131426
3 0.80150054910 0.42811864954
4 0.36302220227 0.58673165411
P 1
1 0.15733924392 1.0000000
P 1
1 0.40000000000E-01 1.0000000
P 1
1 0.16000000000E-01 1.0000000
D 1
1 0.25907866956 0.76806746340E-01
D 1
1 0.42507438045E-01 0.37846160487
D 1
1 0.11909276840E-01 1.0000000
STRONTIUM
S 2
1 10.000000000 -0.18530550262
2 8.5000000000 0.33970355376
S 1
1 3.0057048856 1.0000000
S 1
1 0.61161287650 1.0000000
S 1
1 0.27393841217 1.0000000
S 1
1 0.57435564563E-01 1.0000000
S 1
1 0.23338198665E-01 1.0000000
P 4
1 7.5883077869 0.33731690287E-01
2 3.6731307392 -0.20523185005
3 0.90496618455 0.49209972665
4 0.43310256408 0.62105296512
P 1
1 0.20222168964 1.0000000
P 1
1 0.72000000000E-01 1.0000000
P 1
1 0.25000000000E-01 1.0000000
D 3
1 3.6180810000 -0.75010000000E-02
2 0.99665600000 0.10809800000
3 0.39073500000 0.27854000000
D 1
1 0.12277000000 1.0000000
D 1
1 0.36655000000E-01 1.0000000
YTTRIUM
S 2
1 10.000000000 -0.17487686796
2 8.5000000000 0.34152345084
S 1
1 3.3653905454 1.0000000
S 1
1 0.68860679385 1.0000000
S 1
1 0.31191502936 1.0000000
S 1
1 0.70326042567E-01 1.0000000
S 1
1 0.27733859327E-01 1.0000000
P 4
1 8.0554093616 0.36410978939E-01
2 4.0163458751 -0.20872572547
3 1.0232915404 0.48956929335
4 0.49843561636 0.60611943833
P 1
1 0.23307661842 1.0000000
P 1
1 0.80000000000E-01 1.0000000
P 1
1 0.27000000000E-01 1.0000000
D 3
1 3.9030833060 -0.98209792625E-02
2 1.1363234302 0.19183629664
3 0.45617043877 0.40597788539
D 1
1 0.17470950748 1.0000000
D 1
1 0.61978796638E-01 1.0000000
F 1
1 0.2651500 1.0000000
ZIRCONIUM
S 2
1 11.000000000 -0.19075595257
2 9.5000000000 0.33895588754
S 1
1 3.6383667759 1.0000000
S 1
1 0.76822026698 1.0000000
S 1
1 0.34036824036 1.0000000
S 1
1 0.75261298085E-01 1.0000000
S 1
1 0.30131404705E-01 1.0000000
P 4
1 8.6066305543 0.40404260236E-01
2 4.4400979958 -0.21187745201
3 1.1281026946 0.49164266891
4 0.54346076310 0.57303370658
P 1
1 0.25022406048 1.0000000
P 1
1 0.85000000000E-01 1.0000000
P 1
1 0.29000000000E-01 1.0000000
D 3
1 4.5567957795 -0.96190569023E-02
2 1.2904939797 0.20569990155
3 0.51646987222 0.41831381851
D 1
1 0.19349797794 1.0000000
D 1
1 0.67309809967E-01 1.0000000
F 1
1 0.3926100 1.0000000
NIOBIUM
S 2
1 12.000000000 -0.20219507530
2 10.500000000 0.33640105939
S 1
1 3.9276062854 1.0000000
S 1
1 0.85976543258 1.0000000
S 1
1 0.39074087505 1.0000000
S 1
1 0.86387259879E-01 1.0000000
S 1
1 0.32906200326E-01 1.0000000
P 4
1 9.2056285646 0.43347689874E-01
2 4.8679632125 -0.21302479233
3 1.2442155792 0.48102127136
4 0.60390590312 0.53917858960
P 1
1 0.27967675553 1.0000000
P 1
1 0.90000000000E-01 1.0000000
P 1
1 0.30000000000E-01 1.0000000
D 3
1 4.6170975867 -0.13574476955E-01
2 1.5663438480 0.20374310496
3 0.66952425826 0.42997453105
D 1
1 0.27140946867 1.0000000
D 1
1 0.10054426592 1.0000000
F 1
1 0.5227000 1.0000000
MOLYBDENUM
S 2
1 14.000000000 -0.22490043406
2 12.500000000 0.33151248555
S 1
1 4.0921501803 1.0000000
S 1
1 0.97053602586 1.0000000
S 1
1 0.44217620170 1.0000000
S 1
1 0.92915024334E-01 1.0000000
S 1
1 0.35016314389E-01 1.0000000
P 4
1 8.8931117915 0.69994449475E-01
2 5.4689112270 -0.23547141883
3 1.3548473007 0.46315460007
4 0.65494867461 0.48820184710
P 1
1 0.30428197472 1.0000000
P 1
1 0.10000000000 1.0000000
P 1
1 0.33000000000E-01 1.0000000
D 3
1 5.0044445497 -0.21587364862E-01
2 1.7736823324 0.20958680086
3 0.76950591696 0.43730880599
D 1
1 0.31530878939 1.0000000
D 1
1 0.11754374390 1.0000000
F 1
1 0.6554500 1.0000000
TECHNETIUM
S 2
1 15.000000000 -0.19945408941
2 12.910581694 0.33689922245
S 1
1 4.4493321158 1.0000000
S 1
1 1.0548409451 1.0000000
S 1
1 0.47909677246 1.0000000
S 1
1 0.99124162989E-01 1.0000000
S 1
1 0.36882799789E-01 1.0000000
P 4
1 10.027138011 0.61481602710E-01
2 5.8463419741 -0.23600729385
3 1.4968345491 0.47746483995
4 0.72934632066 0.50731543496
P 1
1 0.33913558879 1.0000000
P 1
1 0.11000000000 1.0000000
P 1
1 0.35000000000E-01 1.0000000
D 3
1 5.0906268699 -0.32176405405E-01
2 2.0156178510 0.21280802536
3 0.88113887240 0.44403309175
D 1
1 0.36427094833 1.0000000
D 1
1 0.13678402297 1.0000000
F 1
1 0.7908500 1.0000000
RUTHENIUM
S 2
1 16.000000000 -0.20634002919
2 13.910581694 0.33550437725
S 1
1 4.7967971407 1.0000000
S 1
1 1.1555425594 1.0000000
S 1
1 0.52455741182 1.0000000
S 1
1 0.10734572646 1.0000000
S 1
1 0.39432760192E-01 1.0000000
P 4
1 11.187208671 0.53225073263E-01
2 6.2477688734 -0.22731662050
3 1.6279472859 0.47869486056
4 0.79326493538 0.50213311567
P 1
1 0.36707276865 1.0000000
P 1
1 0.11500000000 1.0000000
P 1
1 0.37000000000E-01 1.0000000
D 3
1 5.7341846619 -0.35266111560E-01
2 2.2483686294 0.21802502222
3 0.98376978359 0.44709565013
D 1
1 0.40379445583 1.0000000
D 1
1 0.14978618173 1.0000000
F 1
1 0.9431400 1.0000000
RHODIUM
S 2
1 17.000000000 -0.16690803139
2 13.910581694 0.34235001652
S 1
1 5.2481265288 1.0000000
S 1
1 1.2262575928 1.0000000
S 1
1 0.53930216349 1.0000000
S 1
1 0.10130730377 1.0000000
S 1
1 0.37124139005E-01 1.0000000
P 4
1 11.767103631 0.59494859388E-01
2 6.7485133083 -0.23735853477
3 1.7502679834 0.49019334303
4 0.84321166133 0.50623933751
P 1
1 0.38295544759 1.0000000
P 1
1 0.11500000000 1.0000000
P 1
1 0.37000000000E-01 1.0000000
D 4
1 19.857830136 0.66960778187E-02
2 10.061378139 -0.21981738213E-01
3 2.2619546477 0.37918706236
4 0.97098845035 0.67289976592
D 1
1 0.38391195297 1.0000000
D 1
1 0.13537026904 1.0000000
F 1
1 1.0949900 1.0000000
PALLADIUM
S 2
1 18.000000000 -0.16605388598
2 14.662134308 0.34899955055
S 1
1 5.6388709265 1.0000000
S 1
1 1.3198953252 1.0000000
S 1
1 0.57817908509 1.0000000
S 1
1 0.10352166239 1.0000000
S 1
1 0.37548442674E-01 1.0000000
P 4
1 12.552899300 0.61728998206E-01
2 7.2444496380 -0.24178626753
3 1.8905941078 0.49453200915
4 0.90737168760 0.50454362626
P 1
1 0.40877210813 1.0000000
P 1
1 0.11500000000 1.0000000
P 1
1 0.37000000000E-01 1.0000000
D 4
1 22.357457575 0.39559479546E-02
2 10.682526382 -0.14039011601E-01
3 2.4858232550 0.24219476776
4 1.0735333903 0.42580283281
D 1
1 0.42613842853 1.0000000
D 1
1 0.15046355385 1.0000000
F 1
1 1.2462900 1.0000000
SILVER
S 2
1 19.000000000 -0.16600104141
2 15.428199933 0.35665095918
S 1
1 6.0553507268 1.0000000
S 1
1 1.4162368935 1.0000000
S 1
1 0.61758635858 1.0000000
S 1
1 0.10474197431 1.0000000
S 1
1 0.37685106264E-01 1.0000000
P 4
1 13.188180180 0.66928737147E-01
2 7.7952789138 -0.24735235409
3 2.0351571912 0.49154280216
4 0.98093914842 0.49741609006
P 1
1 0.44451179958 1.0000000
P 1
1 0.13000000000 1.0000000
P 1
1 0.41200000000E-01 1.0000000
D 4
1 25.784397351 0.35645063082E-02
2 11.396636755 -0.12984262784E-01
3 2.7345581361 0.24108826548
4 1.1873583605 0.42412330744
D 1
1 0.47316910566 1.0000000
D 1
1 0.16746017986 1.0000000
F 1
1 1.3971100 1.0000000
CADMIUM
S 2
1 20.000000000 -0.17401196927
2 16.309051661 0.37137277194
S 1
1 6.4512709901 1.0000000
S 1
1 1.5350047390 1.0000000
S 1
1 0.68983631523 1.0000000
S 1
1 0.13475720977 1.0000000
S 1
1 0.47416874527E-01 1.0000000
P 4
1 14.000681404 0.69333062793E-01
2 8.3094019872 -0.25420103681
3 2.2020058122 0.49200980368
4 1.0779246137 0.49702118131
P 1
1 0.50111879846 1.0000000
P 1
1 0.16000000000 1.0000000
P 1
1 0.51600000000E-01 1.0000000
D 4
1 30.380789793 0.32545123835E-02
2 11.474551578 -0.14212074843E-01
3 3.0507394903 0.24961756436
4 1.3622028524 0.44905635176
D 1
1 0.56399409888 1.0000000
D 1
1 0.20916686535 1.0000000
F 1
1 1.5981300 1.0000000
INDIUM
S 4
1 847.79276774 0.12432052471E-03
2 72.041054824 0.23600367607E-02
3 41.061316522 -0.85588299453E-02
4 12.407609713 0.62952032489
S 2
1 11.640316941 1.5543429200
2 6.3695642727 0.67492488361
S 1
1 1.7063236353 1.0000000
S 1
1 0.78666967936 1.0000000
S 1
1 0.16965196873 1.0000000
S 1
1 0.62074858667E-01 1.0000000
S 1
1 0.21521728159E-01 1.0000000
P 3
1 268.28136685 0.11542193636E-03
2 14.781553782 0.77779830292E-01
3 8.8041476194 -0.28332389472
P 3
1 2.3717277227 0.47896111744
2 1.1927065422 0.48293819961
3 0.58352812041 0.16843883728
P 1
1 0.23280968310 1.0000000
P 1
1 0.88674065208E-01 1.0000000
P 1
1 0.33598828267E-01 1.0000000
D 6
1 94.282575063 0.43652729696E-03
2 19.716431102 0.63918753088
3 19.600106824 -0.64663115577
4 3.5643186737 0.21187579614
5 1.7017801400 0.42129321741
6 0.76456615531 0.38418127707
D 1
1 0.31826765584 1.0000000
D 1
1 0.10000000000 1.0000000
D 1
1 0.32239251448E-01 1.0000000
F 1
1 0.9000000 1.0000000
F 1
1 0.26415991 1.0000000
TIN
S 4
1 1577.0715931 0.17042767713E-03
2 235.26601078 0.81467057272E-03
3 38.206330645 -0.39057904293E-02
4 13.097031765 0.53245922343
S 2
1 11.681492759 1.5435287275
2 5.9647604361 0.76421510041
S 1
1 1.8891070740 1.0000000
S 1
1 0.88514080630 1.0000000
S 1
1 0.20500105152 1.0000000
S 1
1 0.76748551032E-01 1.0000000
S 1
1 0.29138072540E-01 1.0000000
P 3
1 221.55767496 0.31125177983E-03
2 21.084021433 0.31108097016E-01
3 8.7600138521 -0.27571560918
P 3
1 2.5912909722 0.45912328666
2 1.3426801157 0.49682867217
3 0.67732735829 0.18962377821
P 1
1 0.29418756752 1.0000000
P 1
1 0.11863762052 1.0000000
P 1
1 0.46215750632E-01 1.0000000
D 6
1 108.33210154 0.46561853277E-03
2 23.703936630 0.54063163067E-01
3 22.339843906 -0.58928768877E-01
4 4.0874834028 0.19588500896
5 1.9737354146 0.42301799185
6 0.90158257692 0.39252716176
D 1
1 0.38237153649 1.0000000
D 1
1 0.12000000000 1.0000000
D 1
1 0.42090514124E-01 1.0000000
F 1
1 1.0000000 1.0000000
F 1
1 0.2939284850 1.0000000
ANTIMONY
S 4
1 1612.4199933 0.28540380783E-03
2 238.84452097 0.13393778746E-02
3 23.998118809 -0.49388154574E-01
4 15.193124213 0.43392227254
S 2
1 11.736409733 0.92125519965
2 6.5259774794 0.79235280226
S 1
1 2.0247451872 1.0000000
S 1
1 0.97113418587 1.0000000
S 1
1 0.24254333998 1.0000000
S 1
1 0.92206608177E-01 1.0000000
S 1
1 0.36577483213E-01 1.0000000
P 3
1 215.68393354 0.26051823221E-03
2 16.374479088 0.73728000195E-01
3 9.7216283345 -0.27230028128
P 3
1 2.7982643154 0.46472692374
2 1.4711045033 0.50364242075
3 0.75165385301 0.18706666294
P 1
1 0.33168699849 1.0000000
P 1
1 0.13931606366 1.0000000
P 1
1 0.56399307526E-01 1.0000000
D 6
1 115.90312253 0.53140915051E-03
2 30.474233720 0.59411139166E-02
3 18.228418239 -0.10563706947E-01
4 4.3291456646 0.20348177341
5 2.1294818496 0.42748378928
6 0.99682636692 0.38539560809
D 1
1 0.43347239863 1.0000000
D 1
1 0.14000000000 1.0000000
D 1
1 0.51699812575E-01 1.0000000
F 1
1 1.1000000 1.0000000
F 1
1 0.32369706 1.0000000
TELLURIUM
S 5
1 6213.2001650 0.17392073280E-03
2 920.89640017 0.11933589842E-02
3 199.28042708 0.36256556777E-02
4 24.774233098 -0.59791033012E-01
5 14.838199169 0.95943203263
S 2
1 12.278761954 0.75942429936
2 6.3807845532 0.35331689542
S 1
1 2.2228405205 1.0000000
S 1
1 1.0776043442 1.0000000
S 1
1 0.28136649025 1.0000000
S 1
1 0.10781573341 1.0000000
S 1
1 0.37606937094E-01 1.0000000
P 3
1 204.29400852 0.40605406751E-03
2 18.208759358 0.60255451613E-01
3 9.9211024302 -0.27491671277
P 3
1 3.1441528685 0.43154849974
2 1.7220884031 0.55403079110
3 0.89098945714 0.24087311227
P 1
1 0.39804719568 1.0000000
P 1
1 0.16538785242 1.0000000
P 1
1 0.65082695586E-01 1.0000000
P 1
1 0.20434738696E-01 1.0000000
D 6
1 121.51055249 0.63490629024E-03
2 32.968794396 0.61811936324E-02
3 19.249862451 -0.88929825218E-02
4 4.7198407254 0.20159884764
5 2.3428061416 0.42976049013
6 1.1135379412 0.38247126751
D 1
1 0.49200061510 1.0000000
D 1
1 0.16000000000 1.0000000
D 1
1 0.55086030619E-01 1.0000000
F 1
1 1.8500000 1.0000000
F 1
1 0.38255757 1.0000000
IODINE
S 5
1 5899.5791533 0.24188269271E-03
2 898.54238765 0.15474041742E-02
3 200.37237912 0.42836684457E-02
4 31.418053840 -0.39417936275E-01
5 15.645987838 0.96086691992
S 2
1 11.815741857 0.75961524091
2 6.4614458287 0.42495501835
S 1
1 2.3838067579 1.0000000
S 1
1 1.1712089662 1.0000000
S 1
1 0.32115875757 1.0000000
S 1
1 0.12387919364 1.0000000
S 1
1 0.43491550641E-01 1.0000000
P 4
1 12.984316904 -0.49096186164E-01
2 3.6199503008 0.38914432482
3 2.0232273090 0.65610817262
4 1.0367490559 0.31803551647
P 3
1 197.30030547 0.73951226905E-03
2 20.061411349 0.66168450008E-01
3 9.7631460485 -0.28554662348
P 1
1 0.45937816000 1.0000000
P 1
1 0.19116532928 1.0000000
P 1
1 0.74878813023E-01 1.0000000
P 1
1 0.21653491846E-01 1.0000000
D 6
1 119.12671745 0.82596039573E-03
2 33.404240134 0.68377675770E-02
3 17.805918203 -0.10308158997E-01
4 4.8990510353 0.22670457658
5 2.4516753106 0.44180113937
6 1.1820693432 0.36775472225
D 1
1 0.52923110068 1.0000000
D 1
1 0.17000000000 1.0000000
D 1
1 0.61341708807E-01 1.0000000
F 1
1 2.1800000 1.0000000
F 1
1 0.44141808 1.0000000
XENON
S 5
1 6420.2481656 0.25092173886E-03
2 983.54530664 0.16251948178E-02
3 219.43881364 0.46037106451E-02
4 23.012587807 -0.14698707182
5 18.048324490 0.57524870348
S 2
1 11.752550163 0.66038420156
2 6.2390917199 0.38470524721
S 1
1 2.6257211320 1.0000000
S 1
1 1.2905042943 1.0000000
S 1
1 0.36204185060 1.0000000
S 1
1 0.14069888091 1.0000000
S 1
1 0.50201095588E-01 1.0000000
P 4
1 13.960683826 -0.50950157807E-01
2 4.0928947097 0.36669211800
3 2.2546815460 0.72619456861
4 1.1546596184 0.35555871740
P 3
1 193.81432545 0.95394802497E-03
2 21.725228086 0.57393353332E-01
3 9.8891605641 -0.27974266640
P 1
1 0.52321923128 1.0000000
P 1
1 0.21945569800 1.0000000
P 1
1 0.86158996836E-01 1.0000000
P 1
1 0.23749464135E-01 1.0000000
D 6
1 135.60300038 0.81873543290E-03
2 38.727062692 0.60897654151E-02
3 15.377328089 -0.92782985596E-02
4 5.2602537686 0.22890785589
5 2.6590627424 0.44434407051
6 1.2938205124 0.36029482992
D 1
1 0.58050830139 1.0000000
D 1
1 0.18000000000 1.0000000
D 1
1 0.68002755933E-01 1.0000000
F 1
1 2.5000000 1.0000000
F 1
1 0.49652793 1.0000000
CESIUM
S 3
1 5.8778113443 0.12859994983
2 4.3631538286 -0.34632569725
3 1.8048475155 0.69930637051
S 1
1 0.37485237136 1.0000000
S 1
1 0.16384858778 1.0000000
S 1
1 0.27230462048E-01 1.0000000
S 1
1 0.11991533212E-01 1.0000000
P 4
1 4.2751856154 0.45723074174E-01
2 1.9656663360 -0.25019961976
3 0.47689195212 0.55660850066
4 0.21529749588 0.58218553406
P 1
1 0.91450850296E-01 1.0000000
P 1
1 0.40000000000E-01 1.0000000
P 1
1 0.14000000000E-01 1.0000000
D 1
1 0.27941471548 0.15040680034
D 1
1 0.62419809739E-01 0.36150912942
D 1
1 0.15987870156E-01 1.0000000
BARIUM
S 2
1 6.0000000000 -0.56587174838
2 4.9822082226 0.97514768535
S 1
1 2.1451943914 1.0000000
S 1
1 0.41486174100 1.0000000
S 1
1 0.19214757016 1.0000000
S 1
1 0.48465890337E-01 1.0000000
S 1
1 0.20138298948E-01 1.0000000
P 4
1 5.5000000000 -0.44586312998
2 4.9017938336 0.67755479813
3 2.6142685062 -0.46010554954
4 0.47903394983 0.68749608021
P 1
1 0.19415138747 1.0000000
P 1
1 0.34917622027E-01 1.0000000
P 1
1 0.16320065666E-01 1.0000000
D 3
1 0.96631500000 -0.90893800000
2 0.89382800000 0.94724000000
3 0.27319500000 0.32205700000
D 1
1 0.10389100000 1.0000000
D 1
1 0.35578000000E-01 1.0000000
F 4
1 10.00 0.073
2 3.20 0.210
3 1.00 0.350
4 0.32 0.360
LANTHANUM
S 2
1 5.0873990000 -0.44174952534
2 4.2709780000 0.85812466843
S 1
1 2.1823656045 1.0000000
S 1
1 0.48966533785 1.0000000
S 1
1 0.23301675348 1.0000000
S 1
1 0.55719523051E-01 1.0000000
S 1
1 0.22854708808E-01 1.0000000
P 4
1 6.0000000000 -0.11397960924E-01
2 3.6808191615 0.14675038550
3 2.3265462081 -0.35581819167
4 0.64342629633 0.45834955229
P 1
1 0.33584281962 1.0000000
P 1
1 0.16519051916 1.0000000
P 1
1 0.354E-01 1.0000000
P 1
1 0.20573221543E-01 1.0000000
D 3
1 1.2675288018 -0.17569274035
2 0.89395340284 0.25139922933
3 0.33095767339 0.44603267053
D 1
1 0.13461377501 1.0000000
D 1
1 0.51441629839E-01 1.0000000
F 1
1 0.2568300 1.0000000
HAFNIUM
S 4
1 24.000000000 0.19369448644
2 16.000000000 -3.5064630782
3 14.400000000 4.3082581000
4 10.304504667 -0.91045809742
S 1
1 3.8426510824 1.0000000
S 1
1 0.93296029049 1.0000000
S 1
1 0.42615320942 1.0000000
S 1
1 0.93366560195E-01 1.0000000
S 1
1 0.35532895141E-01 1.0000000
P 4
1 17.000000000 -0.30316491880E-01
2 11.738072097 0.10139279686
3 4.9203967161 -0.28227924657
4 1.1251726138 0.52032008501
P 1
1 0.54220114055 1.0000000
P 1
1 0.25659447877 1.0000000
P 1
1 0.06500000000 1.0000000
P 1
1 0.27141733701E-01 1.0000000
D 3
1 3.9820623229 -0.42446023944E-01
2 1.3077987772 0.18409232564
3 0.53272310298 0.41484423516
D 1
1 0.20564954488 1.0000000
D 1
1 0.73099858787E-01 1.0000000
F 1
1 0.3154700 1.0000000
TANTALUM
S 4
1 24.473650944 0.20590322488
2 18.721372549 -0.74670795514
3 11.500000000 3.4071363897
4 10.350000000 -2.8175487609
S 1
1 3.8436180089 1.0000000
S 1
1 1.0202266016 1.0000000
S 1
1 0.46774781869 1.0000000
S 1
1 0.10323186670 1.0000000
S 1
1 0.38674461203E-01 1.0000000
P 4
1 17.000000000 -0.32577305616E-01
2 12.008186536 0.10336287365
3 5.0278760583 -0.28526521696
4 1.1937124184 0.51790141155
P 1
1 0.57889707053 1.0000000
P 1
1 0.27225198801 1.0000000
P 1
1 0.06500000000 1.0000000
P 1
1 0.27701105074E-01 1.0000000
D 3
1 3.9738796278 -0.52799310714E-01
2 1.4528884813 0.18558319471
3 0.61042908544 0.42959071631
D 1
1 0.24216276510 1.0000000
D 1
1 0.87909318337E-01 1.0000000
F 1
1 0.3738600 1.0000000
TUNGSTEN
S 3
1 30.000000000 0.32246483410
2 27.000000000 -0.46692257214
3 13.078045684 0.42699563776
S 1
1 4.8100449717 1.0000000
S 1
1 0.98497804263 1.0000000
S 1
1 0.44910485344 1.0000000
S 1
1 0.11448352920 1.0000000
S 1
1 0.41720421956E-01 1.0000000
P 4
1 17.000000000 -0.37817768433E-01
2 12.431973432 0.10905673845
3 5.1586217658 -0.29399955020
4 1.2801454812 0.51560726697
P 1
1 0.62856790898 1.0000000
P 1
1 0.29380423553 1.0000000
P 1
1 0.06500000000 1.0000000
P 1
1 0.27938779011E-01 1.0000000
D 4
1 7.4064737315 0.86993963018E-01
2 5.9026268603 -0.17667540011
3 1.2984756750 0.55145697030
4 0.57153508541 0.95313596535
D 1
1 0.23845526606 1.0000000
D 1
1 0.91144267331E-01 1.0000000
F 1
1 0.4319900 1.0000000
RHENIUM
S 3
1 30.000000000 0.31780717811
2 27.000000000 -0.46492321332
3 13.078045684 0.45723641305
S 1
1 5.0352712861 1.0000000
S 1
1 1.0482706438 1.0000000
S 1
1 0.47708773413 1.0000000
S 1
1 0.12225857255 1.0000000
S 1
1 0.44007400609E-01 1.0000000
P 4
1 18.000000000 -0.26890962397E-01
2 12.318606250 0.99711498502E-01
3 5.3719234505 -0.29289398145
4 1.3506646748 0.51466301434
P 1
1 0.66212816808 1.0000000
P 1
1 0.31071385193 1.0000000
P 1
1 0.07000000000 1.0000000
P 1
1 0.29651190664E-01 1.0000000
D 4
1 7.7352877672 0.83901798556E-01
2 6.0949443610 -0.17722258734
3 1.3871105497 0.55238259692
4 0.62324027854 0.91980111239
D 1
1 0.26517328547 1.0000000
D 1
1 0.10321096849 1.0000000
F 1
1 0.4898900 1.0000000
OSMIUM
S 3
1 30.000000000 0.32213004804
2 27.000000000 -0.47922918137
3 13.524730005 0.47465946837
S 1
1 5.2402883472 1.0000000
S 1
1 1.1306661245 1.0000000
S 1
1 0.51689966917 1.0000000
S 1
1 0.13222953545 1.0000000
S 1
1 0.47220318801E-01 1.0000000
P 4
1 15.500000000 0.16016463376
2 14.000000000 -0.23201520402
3 5.5458290420 0.29772587274
4 1.4139502215 -0.54253238176
P 1
1 0.68136686765 1.0000000
P 1
1 0.30911452647 1.0000000
P 1
1 0.52000000000E-01 1.0000000
P 1
1 0.20765932045E-01 1.0000000
D 4
1 8.2945059487 0.69648222110E-01
2 6.3060397430 -0.16444229630
3 1.4890109110 0.55154541033
4 0.67315390607 0.88461370291
D 1
1 0.28590805222 1.0000000
D 1
1 0.11058012051 1.0000000
F 1
1 0.5506500 1.0000000
IRIDIUM
S 3
1 30.000000000 0.30797903228
2 27.000000000 -0.46726361781
3 13.961973911 0.47161003146
S 1
1 5.3956977802 1.0000000
S 1
1 1.2149128721 1.0000000
S 1
1 0.55885743756 1.0000000
S 1
1 0.14097974313 1.0000000
S 1
1 0.50021924989E-01 1.0000000
P 4
1 15.902664143 -0.16290720099
2 14.415830698 0.23483212987
3 5.7597608991 -0.30305337176
4 1.5008913108 0.55512982069
P 1
1 0.72348035957 1.0000000
P 1
1 0.32785980328 1.0000000
P 1
1 0.56000000000E-01 1.0000000
P 1
1 0.22945585397E-01 1.0000000
D 4
1 8.6321692504 0.75000099949E-01
2 6.5898192302 -0.17326965173
3 1.5808379663 0.55065196913
4 0.71827834905 0.85273641436
D 1
1 0.30571851998 1.0000000
D 1
1 0.11827071879 1.0000000
F 1
1 0.6100800 1.0000000
PLATINUM
S 3
1 30.000000000 0.27148263900
2 27.000000000 -0.42226758774
3 14.408318564 0.44361581995
S 1
1 5.5335788010 1.0000000
S 1
1 1.2986438223 1.0000000
S 1
1 0.58759393108 1.0000000
S 1
1 0.13845587261 1.0000000
S 1
1 0.49204459888E-01 1.0000000
P 4
1 15.500000000 -0.15672718629
2 14.000000000 0.23853412989
3 6.1161212339 -0.31041379733
4 1.5715586385 0.56473525089
P 1
1 0.75132510781 1.0000000
P 1
1 0.33306466812 1.0000000
P 1
1 0.57000000000E-01 1.0000000
P 1
1 0.20441532514E-01 1.0000000
D 4
1 8.3207937611 0.62945798646E-01
2 7.4207226520 -0.90271847072E-01
3 1.6570410639 0.16812526416
4 0.73943569960 0.25045416970
D 1
1 0.30510856008 1.0000000
D 1
1 0.11350405268 1.0000000
F 1
1 0.6681300 1.0000000
GOLD
S 3
1 30.000000000 0.20749231108
2 27.000000000 -0.33267893394
3 14.746824331 0.38302817958
S 1
1 5.6017248938 1.0000000
S 1
1 1.3874162443 1.0000000
S 1
1 0.62923031957 1.0000000
S 1
1 0.14027517613 1.0000000
S 1
1 0.49379413761E-01 1.0000000
P 4
1 15.500000000 0.15001711880
2 14.000000000 -0.23609813183
3 6.4227368205 0.31458896948
4 1.6595601681 -0.57279670446
P 1
1 0.79402913993 1.0000000
P 1
1 0.35125155397 1.0000000
P 1
1 0.11801737494 1.0000000
P 1
1 0.45000000000E-01 1.0000000
D 4
1 9.5524098656 0.40145559502E-01
2 7.2698886937 -0.93690906606E-01
3 1.7746496789 0.31746282317
4 0.79960541055 0.46795192483
D 1
1 0.33252279372 1.0000000
D 1
1 0.12445133105 1.0000000
F 1
1 0.7248200 1.0000000
MERCURY
S 3
1 48.013786990 0.58008164912E-02
2 21.239875095 -0.17328165235
3 15.876100879 0.36416685034
S 1
1 5.5180531820 1.0000000
S 1
1 1.5099145479 1.0000000
S 1
1 0.70683482159 1.0000000
S 1
1 0.16266265576 1.0000000
S 1
1 0.56960589112E-01 1.0000000
P 4
1 17.500000000 -0.86457187331E-01
2 15.252594855 0.15327318234
3 6.4404715169 -0.30274955249
4 1.8180159920 0.54361285026
P 1
1 0.90067981801 1.0000000
P 1
1 0.41304540122 1.0000000
P 1
1 0.11845702655 1.0000000
P 1
1 0.60299307803E-01 1.0000000
P 1
1 0.36087619349E-01 1.0000000
D 4
1 10.028197701 0.39922353165E-01
2 7.5920661493 -0.94774230522E-01
3 1.9144256118 0.31164157463
4 0.88641552102 0.45567078406
D 1
1 0.38154235320 1.0000000
D 1
1 0.14880740086 1.0000000
F 1
1 0.7956900 1.0000000
THALLIUM
S 4
1 729.65038145 0.13672829828E-03
2 46.665548707 0.60443439951E-02
3 20.970448726 -0.20022066697
4 14.149588677 0.40801678488
S 2
1 20.730134285 -0.71861135918E-01
2 6.1527631309 0.98057508445
S 1
1 1.5757324480 1.0000000
S 1
1 0.74980169458 1.0000000
S 1
1 0.19536816194 1.0000000
S 1
1 0.70878767298E-01 1.0000000
S 1
1 0.21250403123E-01 1.0000000
P 3
1 15.383852616 0.61717949180
2 14.814929544 -0.72859235151
3 6.7261253658 0.40438195364
P 3
1 1.9626182149 0.43157661160
2 1.0331857851 0.39230403853
3 0.53837445996 0.14007406820
P 1
1 0.24446611676 1.0000000
P 1
1 0.90785377260E-01 1.0000000
P 1
1 0.33401321498E-01 1.0000000
D 6
1 57.606819928 0.16054811114E-03
2 9.7368866667 0.24456562496E-01
3 6.9256201679 -0.69914775031E-01
4 2.1396230731 0.19496269490
5 1.0836187110 0.29731629705
6 0.52356298209 0.23728708102
D 1
1 0.23842309375 1.0000000
D 1
1 0.95000000000E-01 1.0000000
D 1
1 0.30807799761E-01 1.0000000
F 1
1 0.9500000 1.0000000
F 1
1 0.2843500 1.0000000
LEAD
S 4
1 591.61124370 0.22126521076E-03
2 46.757232559 0.56961959130E-02
3 20.746462696 -0.21374063831
4 14.610796419 0.40502620616
S 2
1 20.222637612 -0.83541883299E-01
2 6.4767324865 0.97910892388
S 1
1 1.6600600927 1.0000000
S 1
1 0.80431655001 1.0000000
S 1
1 0.22627039020 1.0000000
S 1
1 0.84014530665E-01 1.0000000
S 1
1 0.28533321717E-01 1.0000000
P 3
1 15.189102118 0.61952303583
2 14.693144415 -0.72498497086
3 6.8705890048 0.37680007984
P 3
1 2.2021426123 0.40196284806
2 1.2209125119 0.46058131862
3 0.63367559815 0.19367655397
P 1
1 0.28202837058 1.0000000
P 1
1 0.11333375666 1.0000000
P 1
1 0.43948707430E-01 1.0000000
D 6
1 61.315369628 0.33870800787E-03
2 12.372195840 0.13788683942E-01
3 6.9254944983 -0.75979608103E-01
4 2.3319539939 0.28113784298
5 1.2108730003 0.44474512269
6 0.60090478506 0.35326874351
D 1
1 0.28135869813 1.0000000
D 1
1 0.11500000000 1.0000000
D 1
1 0.40071342706E-01 1.0000000
F 1
1 1.0000000 1.0000000
F 1
1 0.2896200 1.0000000
BISMUTH
S 4
1 716.41435310 0.31254307133E-03
2 83.806059047 0.17624768946E-02
3 21.116962853 -0.21910983437
4 15.491448187 0.40411224931
S 2
1 23.239855029 -0.68255758685E-01
2 6.6474255000 0.97888046471
S 1
1 1.7617744005 1.0000000
S 1
1 0.87252866000 1.0000000
S 1
1 0.25618895997 1.0000000
S 1
1 0.97073913006E-01 1.0000000
S 1
1 0.35808906242E-01 1.0000000
P 3
1 15.249644669 0.74560356000
2 14.846176053 -0.85578637338
3 7.0636826784 0.40149159592
P 3
1 2.5881255616 0.35542729633
2 1.5020208499 0.63976991890
3 0.76732724388 0.32332773839
P 1
1 0.32797648982 1.0000000
P 1
1 0.13820335991 1.0000000
P 1
1 0.55137330969E-01 1.0000000
D 6
1 66.404481948 0.38102878348E-03
2 13.858426961 0.10746152442E-01
3 7.0654519000 -0.71947646845E-01
4 2.5252144035 0.26195974989
5 1.3419585000 0.42594750000
6 0.68340941000 0.33680325627
D 1
1 0.32934755420 1.0000000
D 1
1 0.14000000000 1.0000000
D 1
1 0.50194378647E-01 1.0000000
F 1
1 1.0500000 1.0000000
F 1
1 0.3127100 1.0000000
POLONIUM
S 5
1 6744.8211765 0.76891556363E-04
2 744.41892532 0.71284827354E-03
3 131.04029309 0.22057583958E-02
4 19.662021030 -0.64364713744
5 16.623025609 0.91997150546
S 2
1 23.094002965 -0.70404410177E-01
2 6.9707398381 0.97886540086
S 1
1 1.8497377593 1.0000000
S 1
1 0.93082999263 1.0000000
S 1
1 0.28673026462 1.0000000
S 1
1 0.10979212169 1.0000000
S 1
1 0.35812540416E-01 1.0000000
P 4
1 8.9027395407 -0.13798250445
2 5.7414667465 0.26304005326
3 1.9896329823 0.66225846161
4 0.94703210822 0.39547051892
P 3
1 253.99024497 0.83876362116E-04
2 9.8712718748 0.24572710458
3 7.4489893496 -0.44297763661
P 1
1 0.37071136280 1.0000000
P 1
1 0.15554706086 1.0000000
P 1
1 0.61173720818E-01 1.0000000
P 1
1 0.19437729576E-01 1.0000000
D 6
1 67.943077046 0.48919125336E-03
2 14.914219894 0.10157120776E-01
3 7.2973948305 -0.69943263066E-01
4 2.6826784400 0.26244730680
5 1.4374143009 0.42702361494
6 0.73903797417 0.32502435477
D 1
1 0.35838153281 1.0000000
D 1
1 0.15000000000 1.0000000
D 1
1 0.51710661379E-01 1.0000000
F 1
1 1.4000000 1.0000000
F 1
1 0.3327500 1.0000000
ASTATINE
S 5
1 3635.9809356 0.12571463494E-03
2 537.64129823 0.75950883820E-03
3 91.600030756 0.25790982348E-02
4 20.200005804 -0.54772187699
5 16.893873824 0.78417507786
S 2
1 18.177216938 -0.13023627002
2 7.2317852082 0.96473566747
S 1
1 1.9496199739 1.0000000
S 1
1 0.99226695236 1.0000000
S 1
1 0.31957178881 1.0000000
S 1
1 0.12342539809 1.0000000
S 1
1 0.40936378211E-01 1.0000000
P 4
1 8.9484156471 -0.15012953475
2 5.9694592464 0.27048141788
3 2.1099088209 0.63671217722
4 1.0236370373 0.38057472615
P 3
1 216.81518928 0.16975297090E-03
2 10.592298115 0.22683755793
3 7.4596585430 -0.47336848377
P 1
1 0.42186356565 1.0000000
P 1
1 0.17757132268 1.0000000
P 1
1 0.69670886939E-01 1.0000000
P 1
1 0.20397906578E-01 1.0000000
D 6
1 70.619633393 0.59974022914E-03
2 16.212096478 0.93445952839E-02
3 7.3607401479 -0.70748413897E-01
4 2.9309052592 0.24037366077
5 1.6085414823 0.41841372624
6 0.84194162715 0.32832651044
D 1
1 0.41335677957 1.0000000
D 1
1 0.17400000000 1.0000000
D 1
1 0.59789898654E-01 1.0000000
F 1
1 1.8000000 1.0000000
F 1
1 0.3740800 1.0000000
RADON
S 5
1 5187.7442468 0.16097034848E-03
2 768.14491207 0.10508214789E-02
3 159.35182065 0.27375438093E-02
4 21.863432724 -0.55045904905
5 18.388689978 0.78321373922
S 2
1 24.816226448 -0.82636797204E-01
2 7.2923301677 1.0926256000
S 1
1 2.0850437166 1.0000000
S 1
1 1.0915245945 1.0000000
S 1
1 0.34915708428 1.0000000
S 1
1 0.13648422952 1.0000000
S 1
1 0.46837581728E-01 1.0000000
P 4
1 9.0845000304 -0.23093917426
2 6.2631489717 0.39747614192
3 2.2545193734 0.83026693838
4 1.1180666918 0.51467013112
P 3
1 194.68918723 0.26265814046E-03
2 11.210013525 0.19952302621
3 7.5298316489 -0.45994479561
P 1
1 0.47444492594 1.0000000
P 1
1 0.20172354616 1.0000000
P 1
1 0.79503144392E-01 1.0000000
P 1
1 0.22264519316E-01 1.0000000
D 6
1 75.302723665 0.73590238429E-03
2 17.965913830 0.89490827389E-02
3 7.3741298033 -0.76641663693E-01
4 3.2296258578 0.22975404602
5 1.7937840508 0.43991495311
6 0.94633319732 0.35259395198
D 1
1 0.46860482223 1.0000000
D 1
1 0.20000000000 1.0000000
D 1
1 0.68815941916E-01 1.0000000
F 1
1 2.1000000 1.0000000
F 1
1 0.4180600 1.0000000
$END
$ECP
RB-ECP GEN 28 3
1 ----- f-ul potential -----
-12.3169000 2 3.8431140
3 ----- s-f potential -----
89.5001980 2 5.0365510
0.4937610 2 1.9708490
12.3169000 2 3.8431140
3 ----- p-f potential -----
58.5689740 2 4.2583410
0.4317910 2 1.4707090
12.3169000 2 3.8431140
3 ----- d-f potential -----
26.2248980 2 3.0231270
0.9628390 2 0.6503830
12.3169000 2 3.8431140
SR-ECP GEN 28 3
1 ----- f-ul potential -----
-15.8059920 2 4.6339750
3 ----- s-f potential -----
135.4794300 2 7.4000740
17.5344630 2 3.6063790
15.8059920 2 4.6339750
3 ----- p-f potential -----
88.3597090 2 6.4848680
15.3943720 2 3.2880530
15.8059920 2 4.6339750
3 ----- d-f potential -----
29.8889870 2 4.6228410
6.6594140 2 2.2469040
15.8059920 2 4.6339750
Y-ECP GEN 28 3
2 ----- f-ul potential -----
-19.12219811 2 6.5842120
-2.43637543 2 3.2921060
4 ----- s-f potential -----
135.15384412 2 7.4880494
15.55244130 2 3.7440247
19.12219811 2 6.5842120
2.43637543 2 3.2921060
4 ----- p-f potential -----
87.78499167 2 6.4453772
11.56406599 2 3.2226886
19.12219811 2 6.5842120
2.43637543 2 3.2921060
4 ----- d-f potential -----
29.70100072 2 4.6584472
5.53996847 2 2.3292236
19.12219811 2 6.5842120
2.43637543 2 3.2921060
ZR-ECP GEN 28 3
2 ----- f-ul potential -----
-21.09377605 2 7.5400000
-3.08069427 2 3.7700000
4 ----- s-f potential -----
150.26759106 2 8.2000000
18.97621650 2 4.0897278
21.09377605 2 7.5400000
3.08069427 2 3.7700000
4 ----- p-f potential -----
99.62212372 2 7.1100000
14.16873329 2 3.5967980
21.09377605 2 7.5400000
3.08069427 2 3.7700000
4 ----- d-f potential -----
35.04512355 2 5.3500000
6.11125948 2 2.4918215
21.09377605 2 7.5400000
3.08069427 2 3.7700000
NB-ECP GEN 28 3
2 ----- f-ul potential -----
-22.92954996 2 8.4900000
-3.66630986 2 4.2500000
4 ----- s-f potential -----
165.17914349 2 8.9000000
21.99297437 2 4.4300000
22.92954996 2 8.4900000
3.66630986 2 4.2500000
4 ----- p-f potential -----
111.79441445 2 7.7700000
16.63348326 2 3.9600000
22.92954996 2 8.4900000
3.66630986 2 4.2500000
4 ----- d-f potential -----
38.11224880 2 6.0500000
8.03916727 2 2.8400000
22.92954996 2 8.4900000
3.66630986 2 4.2500000
MO-ECP GEN 28 3
2 ----- f-ul potential -----
-24.80517707 2 9.4500000
-4.15378155 2 4.7200000
4 ----- s-f potential -----
180.10310850 2 9.7145938
24.99722791 2 4.6805004
24.80517707 2 9.4500000
4.15378155 2 4.7200000
4 ----- p-f potential -----
123.77275231 2 8.1421366
19.53022800 2 4.6259863
24.80517707 2 9.4500000
4.15378155 2 4.7200000
4 ----- d-f potential -----
48.37502229 2 6.6184148
8.89205274 2 3.2487516
24.80517707 2 9.4500000
4.15378155 2 4.7200000
TC-ECP GEN 28 3
2 ----- f-ul potential -----
-26.56244747 2 10.4000000
-4.58568054 2 5.2000000
4 ----- s-f potential -----
195.15916591 2 10.4223462
28.09260333 2 5.0365160
26.56244747 2 10.4000000
4.58568054 2 5.2000000
4 ----- p-f potential -----
135.28456622 2 8.9504494
21.80650430 2 4.8544394
26.56244747 2 10.4000000
4.58568054 2 5.2000000
4 ----- d-f potential -----
54.32972942 2 6.9456968
11.15506795 2 3.9705849
26.56244747 2 10.4000000
4.58568054 2 5.2000000
RU-ECP GEN 28 3
2 ----- f-ul potential -----
-28.34061627 2 11.3600000
-4.94462923 2 5.6800000
4 ----- s-f potential -----
209.82297122 2 11.1052693
30.65472642 2 5.4147454
28.34061627 2 11.3600000
4.94462923 2 5.6800000
4 ----- p-f potential -----
146.33618228 2 9.7712707
24.12787723 2 5.0739908
28.34061627 2 11.3600000
4.94462923 2 5.6800000
4 ----- d-f potential -----
67.51589667 2 7.6714231
9.87010415 2 4.1365647
28.34061627 2 11.3600000
4.94462923 2 5.6800000
RH-ECP GEN 28 3
2 ----- f-ul potential -----
-30.09345572 2 12.3100000
-5.21848192 2 6.1600000
4 ----- s-f potential -----
225.34775353 2 11.7200000
32.82318898 2 5.8200000
30.09345572 2 12.3100000
5.21848192 2 6.1600000
4 ----- p-f potential -----
158.70941159 2 10.4200000
26.44410049 2 5.4500000
30.09345572 2 12.3100000
5.21848192 2 6.1600000
4 ----- d-f potential -----
62.75862572 2 8.8200000
10.97871947 2 3.8700000
30.09345572 2 12.3100000
5.21848192 2 6.1600000
PD-ECP GEN 28 3
2 ----- f-ul potential -----
-31.92955431 2 13.2700000
-5.39821694 2 6.6300000
4 ----- s-f potential -----
240.22904033 2 12.4300000
35.17194347 2 6.1707594
31.92955431 2 13.2700000
5.39821694 2 6.6300000
4 ----- p-f potential -----
170.41727605 2 11.0800000
28.47213287 2 5.8295541
31.92955431 2 13.2700000
5.39821694 2 6.6300000
4 ----- d-f potential -----
69.01384488 2 9.5100000
11.75086158 2 4.1397811
31.92955431 2 13.2700000
5.39821694 2 6.6300000
AG-ECP GEN 28 3
2 ----- f-ul potential -----
-33.68992012 2 14.2200000
-5.53112021 2 7.1100000
4 ----- s-f potential -----
255.13936452 2 13.1300000
36.86612154 2 6.5100000
33.68992012 2 14.2200000
5.53112021 2 7.1100000
4 ----- p-f potential -----
182.18186871 2 11.7400000
30.35775148 2 6.2000000
33.68992012 2 14.2200000
5.53112021 2 7.1100000
4 ----- d-f potential -----
73.71926087 2 10.2100000
12.50211712 2 4.3800000
33.68992012 2 14.2200000
5.53112021 2 7.1100000
CD-ECP GEN 28 3
2 ----- f-ul potential -----
-35.47662555 2 15.1847957
-5.61767685 2 7.5923978
4 ----- s-f potential -----
270.00948324 2 13.8358689
38.76730798 2 6.8572704
35.47662555 2 15.1847957
5.61767685 2 7.5923978
4 ----- p-f potential -----
193.82962939 2 12.4049710
31.89652523 2 6.5677995
35.47662555 2 15.1847957
5.61767685 2 7.5923978
4 ----- d-f potential -----
79.19364700 2 10.8969253
13.23082674 2 4.6411649
35.47662555 2 15.1847957
5.61767685 2 7.5923978
IN-ECP GEN 28 3
2 ----- f-ul potential -----
-13.72807800 2 12.53905600
-18.20686600 2 12.55256100
4 ----- s-f potential -----
281.12235000 2 15.39282200
61.90147000 2 8.05586400
13.72807800 2 12.53905600
18.20686600 2 12.55256100
6 ----- p-f potential -----
67.46215400 2 13.92867200
134.94925000 2 13.34723400
14.74614000 2 7.61413200
29.63926200 2 7.31836500
13.72807800 2 12.53905600
18.20686600 2 12.55256100
6 ----- d-f potential -----
35.49325400 2 14.03471500
53.17877300 2 14.51161600
9.17728100 2 5.55055000
12.39241000 2 5.05941500
13.72807800 2 12.53905600
18.20686600 2 12.55256100
SN-ECP GEN 28 3
2 ----- f-ul potential -----
-12.57633300 2 12.28234800
-16.59594400 2 12.27215000
4 ----- s-f potential -----
279.98868200 2 17.42041400
62.37781000 2 7.63115500
12.57633300 2 12.28234800
16.59594400 2 12.27215000
6 ----- p-f potential -----
66.16252300 2 16.13102400
132.17439600 2 15.62807700
16.33941700 2 7.32560800
32.48895900 2 6.94251900
12.57633300 2 12.28234800
16.59594400 2 12.27215000
6 ----- d-f potential -----
36.38744100 2 15.51497600
54.50784100 2 15.18816000
8.69682300 2 5.45602400
12.84020800 2 5.36310500
12.57633300 2 12.28234800
16.59594400 2 12.27215000
SB-ECP GEN 28 3
2 ----- f-ul potential -----
-15.36680100 2 14.44497800
-20.29613800 2 14.44929500
4 ----- s-f potential -----
281.07158100 2 16.33086500
61.71660400 2 8.55654200
15.36680100 2 14.44497800
20.29613800 2 14.44929500
6 ----- p-f potential -----
67.45738000 2 14.47033700
134.93350300 2 13.81619400
14.71634400 2 8.42492400
29.51851200 2 8.09272800
15.36680100 2 14.44497800
20.29613800 2 14.44929500
6 ----- d-f potential -----
35.44781500 2 14.88633100
53.14346600 2 15.14631900
9.17922300 2 5.90826700
13.24025300 2 5.59432200
15.36680100 2 14.44497800
20.29613800 2 14.44929500
TE-ECP GEN 28 3
2 ----- f-ul potential -----
-15.74545000 2 15.20616800
-20.74244800 2 15.20170200
4 ----- s-f potential -----
281.04584300 2 16.81447300
61.62065600 2 8.79352600
15.74545000 2 15.20616800
20.74244800 2 15.20170200
6 ----- p-f potential -----
67.44946400 2 14.87780100
134.90430400 2 14.26973100
14.68954700 2 8.72443500
29.41506300 2 8.29151500
15.74545000 2 15.20616800
20.74244800 2 15.20170200
6 ----- d-f potential -----
35.43205700 2 15.20500800
53.13568700 2 15.22584800
9.06980200 2 6.07176900
13.12230400 2 5.80476000
15.74545000 2 15.20616800
20.74244800 2 15.20170200
I-ECP GEN 28 3
4 ----- f-ul potential -----
-21.84204000 2 19.45860900
-28.46819100 2 19.34926000
-0.24371300 2 4.82376700
-0.32080400 2 4.88431500
7 ----- s-f potential -----
49.99429300 2 40.01583500
281.02531700 2 17.42974700
61.57332600 2 9.00548400
21.84204000 2 19.45860900
28.46819100 2 19.34926000
0.24371300 2 4.82376700
0.32080400 2 4.88431500
8 ----- p-f potential -----
67.44284100 2 15.35546600
134.88113700 2 14.97183300
14.67505100 2 8.96016400
29.37566600 2 8.25909600
21.84204000 2 19.45860900
28.46819100 2 19.34926000
0.24371300 2 4.82376700
0.32080400 2 4.88431500
10 ----- d-f potential -----
35.43952900 2 15.06890800
53.17605700 2 14.55532200
9.06719500 2 6.71864700
13.20693700 2 6.45639300
0.08933500 2 1.19177900
0.05238000 2 1.29115700
21.84204000 2 19.45860900
28.46819100 2 19.34926000
0.24371300 2 4.82376700
0.32080400 2 4.88431500
XE-ECP GEN 28 3
4 ----- f-ul potential -----
-23.08929500 2 20.88155700
-30.07447500 2 20.78344300
-0.28822700 2 5.25338900
-0.38692400 2 5.36118800
7 ----- s-f potential -----
49.99796200 2 40.00518400
281.01330300 2 17.81221400
61.53825500 2 9.30415000
23.08929500 2 20.88155700
30.07447500 2 20.78344300
0.28822700 2 5.25338900
0.38692400 2 5.36118800
8 ----- p-f potential -----
67.43914200 2 15.70177200
134.87471100 2 15.25860800
14.66330000 2 9.29218400
29.35473000 2 8.55900300
23.08929500 2 20.88155700
30.07447500 2 20.78344300
0.28822700 2 5.25338900
0.38692400 2 5.36118800
10 ----- d-f potential -----
35.43690800 2 15.18560000
53.19577200 2 14.28450000
9.04623200 2 7.12188900
13.22368100 2 6.99196300
0.08485300 2 0.62394600
0.04415500 2 0.64728400
23.08929500 2 20.88155700
30.07447500 2 20.78344300
0.28822700 2 5.25338900
0.38692400 2 5.36118800
CS-ECP GEN 46 3
1 ----- f-ul potential -----
-28.8843090 2 3.1232690
3 ----- s-f potential -----
84.5477300 2 4.0797500
16.6541730 2 2.4174060
28.8843090 2 3.1232690
3 ----- p-f potential -----
157.0490590 2 5.5140800
26.4233070 2 2.1603160
28.8843090 2 3.1232690
3 ----- d-f potential -----
13.1727530 2 1.8074100
3.3428330 2 0.8581820
28.8843090 2 3.1232690
BA-ECP GEN 46 3
1 ----- f-ul potential -----
-33.4731740 2 3.5894650
3 ----- s-f potential -----
427.8458160 2 9.5269860
204.4175300 2 4.4875100
33.4731740 2 3.5894650
3 ----- p-f potential -----
293.6058640 2 8.3159300
294.1933160 2 4.2922170
33.4731740 2 3.5894650
3 ----- d-f potential -----
112.5504020 2 5.9161080
181.7826210 2 2.8748420
33.4731740 2 3.5894650
LA-ECP GEN 46 3
1 ----- f-ul potential -----
-36.0100160 2 4.0286000
3 ----- s-f potential -----
91.9321770 2 3.3099000
-3.7887640 2 1.6550000
36.0100160 2 4.0286000
3 ----- p-f potential -----
63.7594860 2 2.8368000
-0.6479580 2 1.4184000
36.0100160 2 4.0286000
3 ----- d-f potential -----
36.1161730 2 2.0213000
0.2191140 2 1.0107000
36.0100160 2 4.0286000
HF-ECP GEN 60 3
1 ----- f-ul potential -----
10.04672251 2 1.78576984
3 ----- s-f potential -----
1499.28471073 2 14.76995900
40.28210136 2 7.38497940
-10.04672251 2 1.78576984
3 ----- p-f potential -----
397.73300533 2 9.84948950
19.31640586 2 4.92474450
-10.04672251 2 1.78576984
3 ----- d-f potential -----
101.32980526 2 6.09675640
5.87343821 2 3.04837820
-10.04672251 2 1.78576984
TA-ECP GEN 60 3
1 ----- f-ul potential -----
12.01796094 2 2.01788111
3 ----- s-f potential -----
1345.88064703 2 14.54640770
36.76680620 2 7.27320380
-12.01796094 2 2.01788111
3 ----- p-f potential -----
378.42530145 2 9.93556529
22.29309086 2 4.96778243
-12.01796094 2 2.01788111
3 ----- d-f potential -----
104.88395571 2 6.34737691
8.75584805 2 3.17368846
-12.01796094 2 2.01788111
W-ECP GEN 60 3
1 ----- f-ul potential -----
14.15257947 2 2.25888846
3 ----- s-f potential -----
1192.39588226 2 14.32285640
32.52293315 2 7.16142810
-14.15257947 2 2.25888846
3 ----- p-f potential -----
359.03196711 2 10.02164110
24.03038019 2 5.01082040
-14.15257947 2 2.25888846
3 ----- d-f potential -----
108.30134897 2 6.59799743
10.98252827 2 3.29899871
-14.15257947 2 2.25888846
RE-ECP GEN 60 3
1 ----- f-ul potential -----
16.44985227 2 2.50865059
3 ----- s-f potential -----
1038.95157226 2 14.09930510
29.56173830 2 7.04965250
-16.44985227 2 2.50865059
3 ----- p-f potential -----
339.54350965 2 10.10771690
24.91369646 2 5.05385830
-16.44985227 2 2.50865059
3 ----- d-f potential -----
111.69965275 2 6.84861794
12.62432927 2 3.42430897
-16.44985227 2 2.50865059
OS-ECP GEN 60 3
1 ----- f-ul potential -----
18.90945701 2 2.76707510
3 ----- s-f potential -----
885.40571914 2 13.87575390
25.96704014 2 6.93787690
-18.90945701 2 2.76707510
3 ----- p-f potential -----
320.08390185 2 10.19379260
26.14876493 2 5.09689620
-18.90945701 2 2.76707510
3 ----- d-f potential -----
115.04484313 2 7.09923846
13.62257457 2 3.54961923
-18.90945701 2 2.76707510
IR-ECP GEN 60 3
1 ----- f-ul potential -----
21.53103107 2 3.03407192
3 ----- s-f potential -----
732.26919978 2 13.65220260
26.48472087 2 6.82610130
-21.53103107 2 3.03407192
3 ----- p-f potential -----
299.48947357 2 10.27986840
26.46623354 2 5.13993410
-21.53103107 2 3.03407192
3 ----- d-f potential -----
124.45759451 2 7.34985897
14.03599518 2 3.67492949
-21.53103107 2 3.03407192
PT-ECP GEN 60 3
1 ----- f-ul potential -----
24.31437573 2 3.30956857
3 ----- s-f potential -----
579.22386092 2 13.42865130
29.66949062 2 6.71432560
-24.31437573 2 3.30956857
3 ----- p-f potential -----
280.86077422 2 10.36594420
26.74538204 2 5.18297210
-24.31437573 2 3.30956857
3 ----- d-f potential -----
120.39644429 2 7.60047949
15.81092058 2 3.80023974
-24.31437573 2 3.30956857
AU-ECP GEN 60 3
2 ----- f-ul potential -----
30.49008890 2 4.78982000
5.17107381 2 2.39491000
4 ----- s-f potential -----
426.84667920 2 13.20510000
37.00708285 2 6.60255000
-30.49008890 2 4.78982000
-5.17107381 2 2.39491000
4 ----- p-f potential -----
261.19958038 2 10.45202000
26.96249604 2 5.22601000
-30.49008890 2 4.78982000
-5.17107381 2 2.39491000
4 ----- d-f potential -----
124.79066561 2 7.85110000
16.30072573 2 3.92555000
-30.49008890 2 4.78982000
-5.17107381 2 2.39491000
HG-ECP GEN 60 3
1 ----- f-ul potential -----
30.36499643 2 3.88579112
3 ----- s-f potential -----
275.73721174 2 12.98154870
49.08921249 2 6.49077440
-30.36499643 2 3.88579112
3 ----- p-f potential -----
241.54007398 2 10.53809580
27.39659081 2 5.26904790
-30.36499643 2 3.88579112
3 ----- d-f potential -----
127.86700761 2 8.10172051
16.60831151 2 4.05086026
-30.36499643 2 3.88579112
TL-ECP GEN 60 3
4 ----- f-ul potential -----
15.82548800 2 5.62639900
21.10402100 2 5.54895200
2.91512700 2 2.87494600
3.89690300 2 2.82145100
6 ----- s-f potential -----
281.28466300 2 12.16780500
62.43425100 2 8.29490900
-15.82548800 2 5.62639900
-21.10402100 2 5.54895200
-2.91512700 2 2.87494600
-3.89690300 2 2.82145100
8 ----- p-f potential -----
4.63340800 2 7.15149200
9.34175600 2 5.17286500
72.29925300 2 9.89107200
144.55803700 2 9.00339100
-15.82548800 2 5.62639900
-21.10402100 2 5.54895200
-2.91512700 2 2.87494600
-3.89690300 2 2.82145100
8 ----- d-f potential -----
35.94303900 2 7.13021800
53.90959300 2 6.92690600
10.38193900 2 5.41757000
15.58382200 2 5.13868100
-15.82548800 2 5.62639900
-21.10402100 2 5.54895200
-2.91512700 2 2.87494600
-3.89690300 2 2.82145100
PB-ECP GEN 60 3
2 ----- f-ul potential -----
12.20989200 2 3.88751200
16.19029100 2 3.81196300
4 ----- s-f potential -----
281.28549900 2 12.29630300
62.52021700 2 8.63263400
-12.20989200 2 3.88751200
-16.19029100 2 3.81196300
6 ----- p-f potential -----
72.27689700 2 10.24179000
144.59108300 2 8.92417600
4.75869300 2 6.58134200
9.94062100 2 6.25540300
-12.20989200 2 3.88751200
-16.19029100 2 3.81196300
6 ----- d-f potential -----
35.84850700 2 7.75433600
53.72434200 2 7.72028100
10.11525600 2 4.97026400
14.83373100 2 4.56378900
-12.20989200 2 3.88751200
-16.19029100 2 3.81196300
BI-ECP GEN 60 3
2 ----- f-ul potential -----
13.71338300 2 4.21454600
18.19430800 2 4.13340000
4 ----- s-f potential -----
283.26422700 2 13.04309000
62.47195900 2 8.22168200
-13.71338300 2 4.21454600
-18.19430800 2 4.13340000
6 ----- p-f potential -----
72.00149900 2 10.46777700
144.00227700 2 9.11890100
5.00794500 2 6.75479100
9.99155000 2 6.25259200
-13.71338300 2 4.21454600
-18.19430800 2 4.13340000
6 ----- d-f potential -----
36.39625900 2 8.08147400
54.59766400 2 7.89059500
9.98429400 2 4.95555600
14.98148500 2 4.70455900
-13.71338300 2 4.21454600
-18.19430800 2 4.13340000
PO-ECP GEN 60 3
4 ----- f-ul potential -----
17.42829500 2 5.01327000
23.38035300 2 4.98464000
0.16339200 2 1.32676000
0.32456600 2 1.52875800
6 ----- s-f potential -----
283.24470600 2 13.27722700
62.39646100 2 8.39951800
-17.42829500 2 5.01327000
-23.38035300 2 4.98464000
-0.16339200 2 1.32676000
-0.32456600 2 1.52875800
8 ----- p-f potential -----
71.99171600 2 10.66568200
143.97187100 2 9.28375300
4.94961500 2 6.87274900
9.74049900 2 6.32615000
-17.42829500 2 5.01327000
-23.38035300 2 4.98464000
-0.16339200 2 1.32676000
-0.32456600 2 1.52875800
8 ----- d-f potential -----
36.37838300 2 8.21486600
54.56271500 2 8.00869600
9.88949900 2 5.05522700
14.69387700 2 4.78255300
-17.42829500 2 5.01327000
-23.38035300 2 4.98464000
-0.16339200 2 1.32676000
-0.32456600 2 1.52875800
AT-ECP GEN 60 3
4 ----- f-ul potential -----
19.87019800 2 5.81216300
26.41645200 2 5.75371500
0.99497000 2 2.51347200
1.49070100 2 2.53626100
7 ----- s-f potential -----
49.95715800 2 30.20083200
283.21037100 2 13.61230600
62.28105200 2 8.52934000
-19.87019800 2 5.81216300
-26.41645200 2 5.75371500
-0.99497000 2 2.51347200
-1.49070100 2 2.53626100
8 ----- p-f potential -----
71.98237100 2 10.85406500
143.90353200 2 9.46822900
4.87175900 2 7.03111400
8.98305900 2 6.14385800
-19.87019800 2 5.81216300
-26.41645200 2 5.75371500
-0.99497000 2 2.51347200
-1.49070100 2 2.53626100
8 ----- d-f potential -----
36.36323700 2 8.31351500
54.54897000 2 7.99896500
9.77628500 2 5.17996600
14.26475500 2 4.94222600
-19.87019800 2 5.81216300
-26.41645200 2 5.75371500
-0.99497000 2 2.51347200
-1.49070100 2 2.53626100
RN-ECP GEN 60 3
4 ----- f-ul potential -----
21.79729000 2 6.34857100
28.94680500 2 6.29594900
1.44736500 2 2.88211800
2.17796400 2 2.90804800
7 ----- s-f potential -----
49.96555100 2 30.15124200
283.07000000 2 14.52124100
62.00287000 2 8.05203800
-21.79729000 2 6.34857100
-28.94680500 2 6.29594900
-1.44736500 2 2.88211800
-2.17796400 2 2.90804800
8 ----- p-f potential -----
71.96911900 2 11.00994200
143.86055900 2 9.61762500
4.71476100 2 7.33600800
9.01306500 2 6.40625300
-21.79729000 2 6.34857100
-28.94680500 2 6.29594900
-1.44736500 2 2.88211800
-2.17796400 2 2.90804800
8 ----- d-f potential -----
36.36836500 2 8.36922000
54.55176100 2 8.11697500
9.63448700 2 5.35365600
14.38790200 2 5.09721200
-21.79729000 2 6.34857100
-28.94680500 2 6.29594900
-1.44736500 2 2.88211800
-2.17796400 2 2.90804800
$END
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