!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 2.1.0+44.g1191679.dirty ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: def2-TZVP ! Description: def2-TZVP ! 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 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 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 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 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 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 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 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 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 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 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 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 D 1 1 2.31400000 1.0000000 D 1 1 0.64500000 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 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 D 1 1 3.10700000 1.0000000 D 1 1 0.85500000 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 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 D 1 1 4.01400000 1.0000000 D 1 1 1.09600000 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 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 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 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 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 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 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 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 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 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 D 2 1 3.75600000 0.20000000 2 0.812000000 1.00000000 D 1 1 0.273000000 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 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 D 2 1 4.61000000 0.20000000 2 1.01100000 1.00000000 D 1 1 0.339000000 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 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 D 2 1 5.55100000 0.20000000 2 1.23500000 1.00000000 D 1 1 0.412000000 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 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 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 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0.61000000000E-03 4 586.98950000 0.17730000000E-02 5 142.94060000 0.53920000000E-02 S 1 1 39.672200000 1.0000000 S 1 1 28.087800000 1.0000000 S 1 1 13.056900000 1.0000000 S 1 1 3.3514000000 1.0000000 S 1 1 1.7247000000 1.0000000 S 1 1 0.64270000000 1.0000000 S 1 1 0.28280000000 1.0000000 S 1 1 0.51900000000E-01 1.0000000 S 1 1 0.21700000000E-01 1.0000000 P 6 1 1541.9152978 -0.71997456535E-04 2 335.40289049 -0.58631673271E-03 3 106.74203322 -0.17009914039E-02 4 22.896710196 -0.72558322965E-01 5 14.200399316 0.24695703002 6 3.0867394424 -0.25921514998 P 3 1 6.7103596337 -0.10881330998 2 4.1550367670 -0.24076653997 3 1.9929222501 -0.19049609000 P 1 1 1.1874978721 1.0000000 P 1 1 0.65259339716 1.0000000 P 1 1 0.29362298053 1.0000000 P 1 1 0.11747692376 1.0000000 P 1 1 0.32216083150E-01 1.0000000 D 6 1 350.96120000 0.28200000000E-03 2 105.96210000 0.22220000000E-02 3 38.470400000 0.11016000000E-01 4 15.482600000 -0.31804000000E-01 5 7.4260000000 0.22399400000 6 3.9996000000 0.43687400000 D 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14.908551039 0.24496395000 6 3.1749164710 -0.26347889002 P 3 1 6.8237905134 -0.10890262000 2 4.2307930831 -0.23718578999 3 1.8619629957 -0.19281728001 P 1 1 0.97760378202 1.0000000 P 1 1 0.48131299262 1.0000000 P 1 1 0.22682633560 1.0000000 P 1 1 0.83616938506E-01 1.0000000 P 1 1 0.29345374972E-01 1.0000000 D 6 1 341.80600000 0.43500000000E-03 2 102.94180000 0.34200000000E-02 3 38.223400000 0.14991000000E-01 4 16.124600000 -0.11413000000E-01 5 7.4243000000 0.24276300000 6 4.0177000000 0.43130900000 D 1 1 2.0884000000 1.0000000 D 1 1 1.0041000000 1.0000000 D 1 1 0.34370000000 1.0000000 D 1 1 0.10720000000 1.0000000 F 5 1 126.65160000 0.26100000000E-02 2 45.667200000 0.27331000000E-01 3 20.494900000 0.10293400000 4 9.3103000000 0.22727400000 5 4.2351000000 0.34313100000 F 1 1 1.8604000000 1.0000000 F 1 1 0.75850000000 1.0000000 F 1 1 0.26920000000 1.0000000 G 1 1 0.45190000000 1.0000000 SAMARIUM S 5 1 70078.171000 0.97000000000E-04 2 10598.384000 0.73000000000E-03 3 2413.8660000 0.35230000000E-02 4 677.40310000 0.10873000000E-01 5 208.50730000 0.17824000000E-01 S 1 1 39.366300000 1.0000000 S 1 1 27.987500000 1.0000000 S 1 1 14.342600000 1.0000000 S 1 1 3.6128000000 1.0000000 S 1 1 1.8452000000 1.0000000 S 1 1 0.68750000000 1.0000000 S 1 1 0.30010000000 1.0000000 S 1 1 0.53900000000E-01 1.0000000 S 1 1 0.22400000000E-01 1.0000000 P 6 1 1545.8172951 -0.14093759837E-03 2 358.33097527 -0.10497581620E-02 3 105.41095006 -0.38047009161E-02 4 24.323692819 -0.75758384975E-01 5 15.330016786 0.24471562999 6 3.2777030287 -0.25977821004 P 3 1 7.3871345024 -0.10977915000 2 4.3824346508 -0.24311473001 3 1.9204352599 -0.18652745001 P 1 1 1.0521152834 1.0000000 P 1 1 0.50532320012 1.0000000 P 1 1 0.22745219573 1.0000000 P 1 1 0.76702408745E-01 1.0000000 P 1 1 0.27281849214E-01 1.0000000 D 6 1 398.01540000 0.43300000000E-03 2 115.54660000 0.38520000000E-02 3 41.893700000 0.17324000000E-01 4 20.774300000 0.57430000000E-02 5 7.5304000000 0.25998300000 6 4.0454000000 0.43147800000 D 1 1 2.1012000000 1.0000000 D 1 1 1.0105000000 1.0000000 D 1 1 0.34750000000 1.0000000 D 1 1 0.10830000000 1.0000000 F 5 1 127.18630000 0.30500000000E-02 2 45.939600000 0.31145000000E-01 3 20.623400000 0.11362400000 4 9.3855000000 0.24012800000 5 4.2790000000 0.34765200000 F 1 1 1.8883000000 1.0000000 F 1 1 0.77480000000 1.0000000 F 1 1 0.27760000000 1.0000000 G 1 1 0.46380000000 1.0000000 EUROPIUM S 5 1 70059.420000 0.97000000000E-04 2 10776.235000 0.70700000000E-03 3 2482.4901000 0.33620000000E-02 4 702.15260000 0.10206000000E-01 5 216.79260000 0.16597000000E-01 S 1 1 41.495000000 1.0000000 S 1 1 29.496900000 1.0000000 S 1 1 15.030900000 1.0000000 S 1 1 3.7772000000 1.0000000 S 1 1 1.9219000000 1.0000000 S 1 1 0.71310000000 1.0000000 S 1 1 0.30970000000 1.0000000 S 1 1 0.54900000000E-01 1.0000000 S 1 1 0.22700000000E-01 1.0000000 P 6 1 1545.4788969 -0.21477687577E-03 2 348.79762213 -0.16803101931E-02 3 105.52943529 -0.57348847854E-02 4 25.617997454 -0.75899902959E-01 5 15.784430330 0.24468326999 6 3.3852871239 -0.26307923005 P 3 1 7.4940301111 -0.10983416002 2 4.5438093966 -0.24311706000 3 2.0144742222 -0.18613405999 P 1 1 1.1083886524 1.0000000 P 1 1 0.51142648878 1.0000000 P 1 1 0.22561415288 1.0000000 P 1 1 0.76000181463E-01 1.0000000 P 1 1 0.27117030486E-01 1.0000000 D 6 1 389.08410000 0.53400000000E-03 2 117.76020000 0.42580000000E-02 3 44.986900000 0.17160000000E-01 4 22.859900000 0.12427000000E-01 5 7.8331000000 0.27041600000 6 4.1134000000 0.44527200000 D 1 1 2.0999000000 1.0000000 D 1 1 1.0043000000 1.0000000 D 1 1 0.34220000000 1.0000000 D 1 1 0.10510000000 1.0000000 F 5 1 128.23410000 0.34240000000E-02 2 46.268500000 0.34313000000E-01 3 20.736600000 0.12319400000 4 9.4479000000 0.25182400000 5 4.3149000000 0.35129200000 F 1 1 1.9121000000 1.0000000 F 1 1 0.78970000000 1.0000000 F 1 1 0.28590000000 1.0000000 G 1 1 0.47520000000 1.0000000 GADOLINIUM S 5 1 70672.982000 0.13500000000E-03 2 10580.420000 0.10060000000E-02 3 2467.2196000 0.46050000000E-02 4 710.30550000 0.13577000000E-01 5 223.69340000 0.20915000000E-01 S 1 1 42.884500000 1.0000000 S 1 1 30.595200000 1.0000000 S 1 1 15.792300000 1.0000000 S 1 1 3.9598000000 1.0000000 S 1 1 2.0077000000 1.0000000 S 1 1 0.74940000000 1.0000000 S 1 1 0.32410000000 1.0000000 S 1 1 0.57800000000E-01 1.0000000 S 1 1 0.23700000000E-01 1.0000000 P 6 1 1547.5176828 -0.27484377768E-03 2 341.04355363 -0.22027518871E-02 3 100.44808811 -0.74993330072E-02 4 25.638724200 -0.75632911948E-01 5 15.897630316 0.24448929000 6 3.5643308647 -0.26400163004 P 3 1 8.3793352896 -0.11016848999 2 4.7567465018 -0.24310255997 3 2.1155437701 -0.18589755998 P 1 1 1.2378242468 1.0000000 P 1 1 0.57874986425 1.0000000 P 1 1 0.25295715243 1.0000000 P 1 1 0.78345762145E-01 1.0000000 P 1 1 0.28325755449E-01 1.0000000 D 6 1 406.09940000 0.65500000000E-03 2 122.42050000 0.53410000000E-02 3 46.367900000 0.22180000000E-01 4 20.728900000 0.29630000000E-01 5 7.9773000000 0.28827000000 6 4.1175000000 0.44967800000 D 1 1 2.0783000000 1.0000000 D 1 1 0.98880000000 1.0000000 D 1 1 0.33890000000 1.0000000 D 1 1 0.10370000000 1.0000000 F 5 1 128.70520000 0.39700000000E-02 2 46.564700000 0.38735000000E-01 3 20.888200000 0.13395800000 4 9.5233000000 0.26283500000 5 4.3476000000 0.35391100000 F 1 1 1.9241000000 1.0000000 F 1 1 0.79260000000 1.0000000 F 1 1 0.28550000000 1.0000000 G 1 1 0.47570000000 1.0000000 TERBIUM S 5 1 72672.982000 0.14500000000E-03 2 10989.467000 0.10810000000E-02 3 2527.1175000 0.50610000000E-02 4 721.01020000 0.14727000000E-01 5 226.91820000 0.22029000000E-01 S 1 1 46.084600000 1.0000000 S 1 1 30.515700000 1.0000000 S 1 1 15.763200000 1.0000000 S 1 1 4.0394000000 1.0000000 S 1 1 2.0660000000 1.0000000 S 1 1 0.74960000000 1.0000000 S 1 1 0.32390000000 1.0000000 S 1 1 0.56100000000E-01 1.0000000 S 1 1 0.23100000000E-01 1.0000000 P 6 1 1496.7406375 -0.35252193521E-03 2 336.67224858 -0.27802936896E-02 3 95.107797436 -0.97271998087E-02 4 26.173983351 -0.75975213748E-01 5 16.574198794 0.24438375027 6 3.7589776432 -0.26379918982 P 3 1 8.9860567493 -0.11195705980 2 4.9587485157 -0.24219364975 3 2.0850168854 -0.18569740970 P 1 1 1.3118796539 1.0000000 P 1 1 0.60093829090 1.0000000 P 1 1 0.26272369944 1.0000000 P 1 1 0.79998395175E-01 1.0000000 P 1 1 0.29116323886E-01 1.0000000 D 6 1 410.83070000 0.84900000000E-03 2 123.83550000 0.69370000000E-02 3 47.013100000 0.28533000000E-01 4 20.298900000 0.50342000000E-01 5 8.0138000000 0.30163300000 6 4.0855000000 0.44817800000 D 1 1 2.0516000000 1.0000000 D 1 1 0.98380000000 1.0000000 D 1 1 0.34200000000 1.0000000 D 1 1 0.10580000000 1.0000000 F 5 1 128.96660000 0.45880000000E-02 2 46.786100000 0.43563000000E-01 3 21.002100000 0.14488000000 4 9.5773000000 0.27243000000 5 4.3716000000 0.35365200000 F 1 1 1.9343000000 1.0000000 F 1 1 0.79600000000 1.0000000 F 1 1 0.28660000000 1.0000000 G 1 1 0.47760000000 1.0000000 DYSPROSIUM S 5 1 78529.743000 0.13800000000E-03 2 11854.699000 0.10330000000E-02 3 2719.9807000 0.48610000000E-02 4 772.40360000 0.14340000000E-01 5 242.03200000 0.21620000000E-01 S 1 1 48.356200000 1.0000000 S 1 1 31.880600000 1.0000000 S 1 1 16.860900000 1.0000000 S 1 1 4.2155000000 1.0000000 S 1 1 2.1287000000 1.0000000 S 1 1 0.78890000000 1.0000000 S 1 1 0.33830000000 1.0000000 S 1 1 0.58100000000E-01 1.0000000 S 1 1 0.23800000000E-01 1.0000000 P 6 1 1358.7955712 -0.54124273749E-03 2 314.30076974 -0.38199599919E-02 3 96.833600236 -0.11659520370E-01 4 26.794921343 -0.71362166970E-01 5 16.402756832 0.24160993997 6 3.7814596949 -0.26927863007 P 3 1 11.024274121 -0.11776304007 2 5.4163925954 -0.24421949997 3 2.0677311442 -0.17947890999 P 1 1 1.5508876090 1.0000000 P 1 1 0.70008700696 1.0000000 P 1 1 0.30001063837 1.0000000 P 1 1 0.93510529355E-01 1.0000000 P 1 1 0.32387494996E-01 1.0000000 D 6 1 409.80320000 0.10460000000E-02 2 123.71040000 0.84480000000E-02 3 47.097600000 0.33945000000E-01 4 20.120200000 0.63313000000E-01 5 8.1571000000 0.31054200000 6 4.1474000000 0.44327600000 D 1 1 2.0825000000 1.0000000 D 1 1 0.99980000000 1.0000000 D 1 1 0.32020000000 1.0000000 D 1 1 0.91300000000E-01 1.0000000 F 5 1 129.62740000 0.52520000000E-02 2 47.172700000 0.48490000000E-01 3 21.158600000 0.15475200000 4 9.6381000000 0.28117000000 5 4.3953000000 0.35382800000 F 1 1 1.9426000000 1.0000000 F 1 1 0.79800000000 1.0000000 F 1 1 0.28660000000 1.0000000 G 1 1 0.47820000000 1.0000000 HOLMIUM S 5 1 86373.955000 0.78000000000E-04 2 13014.200000 0.58800000000E-03 3 2974.2417000 0.28010000000E-02 4 840.77100000 0.83640000000E-02 5 258.12230000 0.13419000000E-01 S 1 1 49.764800000 1.0000000 S 1 1 35.546300000 1.0000000 S 1 1 18.129000000 1.0000000 S 1 1 4.4456000000 1.0000000 S 1 1 2.2170000000 1.0000000 S 1 1 0.83290000000 1.0000000 S 1 1 0.35440000000 1.0000000 S 1 1 0.59700000000E-01 1.0000000 S 1 1 0.24400000000E-01 1.0000000 P 6 1 1332.9863082 -0.69886752830E-03 2 314.40687931 -0.47443415377E-02 3 97.911719435 -0.14164711110E-01 4 27.909961603 -0.67658927355E-01 5 16.545097311 0.23908917082 6 3.9331568107 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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 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 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 F 1 1 2.1000000 1.0000000 F 1 1 0.4180600 1.0000000 $END