#---------------------------------------------------------------------- # Basis Set Exchange # Version 0.11 # https://www.basissetexchange.org #---------------------------------------------------------------------- # Basis set: def2-TZVP # Description: def2-TZVP # Role: orbital # Version: 1 (Data from Turbomole 7.3) #---------------------------------------------------------------------- BASIS "ao basis" SPHERICAL PRINT #BASIS SET: (5s,1p) -> [3s,1p] H S 34.0613410 0.60251978E-02 5.1235746 0.45021094E-01 1.1646626 0.20189726 H S 0.32723041 1.0000000 H S 0.10307241 1.0000000 H P 0.8000000 1.0000000 #BASIS SET: (5s,1p) -> [3s,1p] He S 98.078321616 0.75803064967E-02 14.764404247 0.54848620937E-01 3.3185831473 0.22074382186 He S 0.87413869551 1.0000000 He S 0.24459897208 1.0000000 He P 1.0000000 1.0000000 #BASIS SET: (11s,3p) -> [5s,3p] Li S 6269.2628010 0.20540968826E-03 940.31612431 0.15916554089E-02 214.22107528 0.82869829707E-02 60.759840184 0.33856374249E-01 19.915152032 0.11103225876 7.3171509797 0.27449383329 Li S 2.9724674216 0.23792456411 1.2639852314 0.30765411924 Li S 0.51427489953 1.0000000 Li S 0.77030885901E-01 1.0000000 Li S 0.28938896433E-01 1.0000000 Li P 3.3270000 1.0000000 Li P 0.4000000 1.0000000 Li P 0.0600000 1.0000000 #BASIS SET: (11s,4p,1d) -> [5s,3p,1d] Be S 4700.2365626 0.23584389316E-03 704.82845622 0.18243791019E-02 160.43110478 0.93966148224E-02 45.425347336 0.36908924159E-01 14.798334125 0.10897561281 5.3512452537 0.21694284551 Be S 2.1542044819 0.44695408857 0.93363744400 0.20866985771 Be S 0.18791432989 1.0000000 Be S 0.74648267947E-01 1.0000000 Be S 0.32650484598E-01 1.0000000 Be P 3.6316917145 -.29033998305E-01 Be P 0.71695694366 -0.16877854032 0.19541932860 -0.51403419628 Be P 0.60515465890E-01 1.0000000 Be D 0.1800000 1.0000000 #BASIS SET: (11s,6p,2d,1f) -> [5s,3p,2d,1f] B S 8564.8660687 0.22837198155E-03 1284.1516263 0.17682576447E-02 292.27871604 0.91407080516E-02 82.775469176 0.36342638989E-01 27.017939269 0.11063458441 9.8149619660 0.23367344321 B S 3.9318559059 0.41818777978 1.6595599712 0.22325473798 B S 0.35762965239 1.0000000 B S 0.14246277496 1.0000000 B S 0.60560594768E-01 1.0000000 B P 22.453875803 0.50265575179E-02 5.1045058330 0.32801738965E-01 1.4986081344 0.13151230768 0.50927831315 0.33197167769 B P 0.18147077798 .47314319570 B P 0.64621893904E-01 .25802783943 B D 0.66100000 1.0000000 B D 0.19900000 1.0000000 B F 0.49000000 1.0000000 #BASIS SET: (11s,6p,2d,1f) -> [5s,3p,2d,1f] C S 13575.3496820 0.22245814352E-03 2035.2333680 0.17232738252E-02 463.22562359 0.89255715314E-02 131.20019598 0.35727984502E-01 42.853015891 0.11076259931 15.584185766 0.24295627626 C S 6.2067138508 0.41440263448 2.5764896527 0.23744968655 C S 0.57696339419 1.0000000 C S 0.22972831358 1.0000000 C S 0.95164440028E-01 1.0000000 C P 34.697232244 0.53333657805E-02 7.9582622826 0.35864109092E-01 2.3780826883 0.14215873329 0.81433208183 0.34270471845 C P 0.28887547253 .46445822433 C P 0.10056823671 .24955789874 C D 1.09700000 1.0000000 C D 0.31800000 1.0000000 C F 0.76100000 1.0000000 #BASIS SET: (11s,6p,2d,1f) -> [5s,3p,2d,1f] N S 19730.8006470 0.21887984991E-03 2957.8958745 0.16960708803E-02 673.22133595 0.87954603538E-02 190.68249494 0.35359382605E-01 62.295441898 0.11095789217 22.654161182 0.24982972552 N S 8.9791477428 0.40623896148 3.6863002370 0.24338217176 N S 0.84660076805 1.0000000 N S 0.33647133771 1.0000000 N S 0.13647653675 1.0000000 N P 49.200380510 0.55552416751E-02 11.346790537 0.38052379723E-01 3.4273972411 0.14953671029 1.1785525134 0.34949305230 N P 0.41642204972 .45843153697 N P 0.14260826011 .24428771672 N D 1.65400000 1.0000000 N D 0.46900000 1.0000000 N F 1.09300000 1.0000000 #BASIS SET: (11s,6p,2d,1f) -> [5s,3p,2d,1f] O S 27032.3826310 0.21726302465E-03 4052.3871392 0.16838662199E-02 922.32722710 0.87395616265E-02 261.24070989 0.35239968808E-01 85.354641351 0.11153519115 31.035035245 0.25588953961 O S 12.260860728 0.39768730901 4.9987076005 0.24627849430 O S 1.1703108158 1.0000000 O S 0.46474740994 1.0000000 O S 0.18504536357 1.0000000 O P 63.274954801 0.60685103418E-02 14.627049379 0.41912575824E-01 4.4501223456 0.16153841088 1.5275799647 0.35706951311 O P 0.52935117943 .44794207502 O P 0.17478421270 .24446069663 O D 2.31400000 1.0000000 O D 0.64500000 1.0000000 O F 1.42800000 1.0000000 #BASIS SET: (11s,6p,2d,1f) -> [5s,3p,2d,1f] F S 35479.1004410 0.21545014888E-03 5318.4728983 0.16700686527E-02 1210.4810975 0.86733211476E-02 342.85518140 0.35049933175E-01 112.01943181 0.11165320133 40.714740248 0.25988506647 F S 16.039678111 0.39422966880 6.5038186740 0.24998238551 F S 1.5440477509 1.0000000 F S 0.61223452862 1.0000000 F S 0.24027979698 1.0000000 F P 80.233900483 0.63685999134E-02 18.594010743 0.44303143530E-01 5.6867902653 0.16867248708 1.9511006294 0.36166346255 F P 0.66970211298 .44202901491 F P 0.21651300410 .24319875730 F D 3.10700000 1.0000000 F D 0.85500000 1.0000000 F F 1.91700000 1.0000000 #BASIS SET: (11s,6p,2d,1f) -> [5s,3p,2d,1f] Ne S 45069.4640220 0.21687155182E-03 6755.9768656 0.16812736757E-02 1537.6502864 0.87356062782E-02 435.51697667 0.35361266922E-01 142.28655638 0.11321521454 51.692153804 0.26654653104 Ne S 20.315870490 0.39631959951 8.2021942646 0.25582811251 Ne S 1.9681276278 1.0000000 Ne S 0.77904756001 1.0000000 Ne S 0.30229502043 1.0000000 Ne P 99.782996032 0.65569234163E-02 23.176124101 0.45888009138E-01 7.1163945872 0.17331287812 2.4418711435 0.36475267512 Ne P 0.83389605766 .43831075171 Ne P 0.26607311301 .24160029835 Ne D 4.01400000 1.0000000 Ne D 1.09600000 1.0000000 Ne F 2.54400000 1.0000000 #BASIS SET: (14s,8p,3d) -> [5s,4p,3d] Na S 26041.1099270 0.61806342811E-03 3906.1268548 0.47748604414E-02 888.97454993 0.24471684829E-01 251.45497961 0.94755394977E-01 81.650143512 0.26867496920 28.904158401 0.47925475440 10.625782932 0.33248591469 Na S 53.769410179 0.19527731872E-01 16.308243025 0.92648010794E-01 2.3730384125 -0.39938670172 Na S 0.95730772603 1.6428595391 0.40806460959 0.55692596966 Na S 0.49967582329E-01 1.0000000 Na S 0.19268616250E-01 1.0000000 Na P 138.07979989 0.57951891929E-02 32.232700393 0.41620846251E-01 9.9816075360 0.16281916885 3.4822033928 0.36011784647 1.2299134620 0.44858979889 Na P 0.41743959423 .23040759559 Na P 0.0910000 1.0000000 Na P 0.0300000 1.0000000 Na D 2.6090000 1.0000000 Na D 0.4300000 1.0000000 Na D 0.1000000 1.0000000 #BASIS SET: (14s,8p,3d) -> [5s,4p,3d] Mg S 31438.3495550 0.60912311326E-03 4715.5153354 0.47066196465E-02 1073.1629247 0.24135820657E-01 303.57238768 0.93628959834E-01 98.626251042 0.26646742093 34.943808417 0.47890929917 12.859785199 0.33698490286 Mg S 64.876913004 0.19180889307E-01 19.725520777 0.90913704392E-01 2.8951804339 -0.39563756125 Mg S 1.1960454710 1.6827603373 0.54329451156 0.52141091954 Mg S 0.10099104092 1.0000000 Mg S 0.36865728085E-01 1.0000000 Mg P 179.87189612 0.53799549018E-02 42.120069376 0.39318014098E-01 13.120503032 0.15740129476 4.6257503609 0.35919094128 1.6695211016 0.45533379310 Mg P 0.58551012105 .21986432910 Mg P 0.18914796195 1.0000000 Mg P 0.53768755187E-01 1.0000000 Mg D 3.4440000 1.0000000 Mg D 0.2900000 1.0000000 Mg D 0.0700000 1.0000000 #BASIS SET: (14s,9p,3d,1f) -> [5s,5p,2d,1f] Al S 37792.5507720 0.57047888709E-03 5668.0682165 0.44093016538E-02 1289.8582841 0.22630967411E-01 364.86596028 0.88025644295E-01 118.57631515 0.25223701612 42.024867605 0.45960547169 15.499501629 0.33277886014 Al S 75.208026598 0.19250560190E-01 23.031408972 0.87906743952E-01 3.6348797649 -0.34246704535 Al S 1.6065049957 1.5106266058 0.76103394581 0.58071016470 Al S 0.16556708849 1.0000000 Al S 0.60041577113E-01 1.0000000 Al P 452.52303192 0.23110812466E-02 107.08195049 0.18568641823E-01 34.131021255 0.87216237035E-01 12.587037428 0.26902101523 4.9811919704 0.52128324272 Al P 2.0070350900 .60271687494 Al P 0.80083714374 1.0000000 Al P 0.20178927472 1.0000000 Al P 0.57895550392E-01 1.0000000 Al D 1.57000000 0.20000000 0.333000000 1.00000000 Al D 0.111000000 1.0000000 Al F 0.244000000 1.0000000 #BASIS SET: (14s,9p,3d,1f) -> [5s,5p,2d,1f] Si S 44773.3580780 0.55914765868E-03 6717.1992104 0.43206040189E-02 1528.8960325 0.22187096460E-01 432.54746585 0.86489249116E-01 140.61505226 0.24939889716 49.857636724 0.46017197366 18.434974885 0.34250236575 Si S 86.533886111 0.21300063007E-01 26.624606846 0.94676139318E-01 4.4953057159 -0.32616264859 Si S 2.1035045710 1.3980803850 1.0106094922 0.63865786699 Si S 0.23701751489 1.0000000 Si S 0.85703405362E-01 1.0000000 Si P 394.47503628 0.26285693959E-02 93.137683104 0.20556257749E-01 29.519608742 0.92070262801E-01 10.781663791 0.25565889739 4.1626574778 0.42111707185 Si P 1.6247972989 .34401746318 Si P 0.54306660493 1.0000000 Si P 0.20582073956 1.0000000 Si P 0.70053487306E-01 1.0000000 Si D 2.30300000 0.20000000 0.476000000 1.00000000 Si D 0.160000000 1.0000000 Si F 0.336000000 1.0000000 #BASIS SET: (14s,9p,3d,1f) -> [5s,5p,2d,1f] P S 52426.9992330 0.55207164100E-03 7863.2660552 0.42678595308E-02 1789.5227333 0.21931529186E-01 506.27300165 0.85667168373E-01 164.60698546 0.24840686605 58.391918722 0.46336753971 21.643663201 0.35350558156 P S 99.013837620 0.21895679958E-01 30.550439817 0.95650470295E-01 5.4537087661 -0.29454270186 P S 2.6503362563 1.3294381200 1.2726688867 0.66109396473 P S 0.31645005203 1.0000000 P S 0.11417466938 1.0000000 P P 472.27219248 0.25710623052E-02 111.58882756 0.20250297999E-01 35.445936418 0.91580716787E-01 12.990776875 0.25749454014 5.0486221658 0.42862899758 P P 1.9934049566 .34359817849 P P 0.66527284430 1.0000000 P P 0.25516832128 1.0000000 P P 0.90357762251E-01 1.0000000 P D 3.12000000 0.20000000 0.648000000 1.00000000 P D 0.218000000 1.0000000 P F 0.452000000 1.0000000 #BASIS SET: (14s,9p,3d,1f) -> [5s,5p,2d,1f] S S 60700.9281040 0.54695944225E-03 9102.6106854 0.42297224557E-02 2071.4166009 0.21747824159E-01 586.02476821 0.85100053589E-01 190.55395021 0.24799128459 67.630384260 0.46703640406 25.127306905 0.36434587550 S S 112.57463010 0.21670040240E-01 34.795554217 0.93602301760E-01 6.5115556215 -0.26068001422 S S 3.2399032261 1.2842089435 1.5477160881 0.66036416584 S S 0.40541030112 1.0000000 S S 0.14550651059 1.0000000 S P 564.36716027 0.24796796317E-02 133.42624379 0.19677930250E-01 42.468271189 0.89980008258E-01 15.616527580 0.25705880575 6.1093988469 0.43515167292 S P 2.4404160198 .34883240595 S P 0.83882201296 1.0000000 S P 0.31288746900 1.0000000 S P 0.10770109004 1.0000000 S D 3.75600000 0.20000000 0.812000000 1.00000000 S D 0.273000000 1.0000000 S F 0.557000000 1.0000000 #BASIS SET: (14s,9p,3d,1f) -> [5s,5p,2d,1f] Cl S 69507.9909450 0.54314897497E-03 10426.1568800 0.41990463961E-02 2373.2334061 0.21592141679E-01 671.56420071 0.84598850094E-01 218.41999790 0.24757249724 77.572249714 0.47016930228 28.888815277 0.37436370716 Cl S 127.10527185 0.25182166603E-01 39.339582961 0.10786112456 7.6740679989 -0.27408821574 Cl S 3.8745627630 1.3213875014 1.8385832573 0.68636955368 Cl S 0.50229057542 1.0000000 Cl S 0.17962723420 1.0000000 Cl P 666.50423284 0.23632663836E-02 157.64241690 0.18879300374E-01 50.262520978 0.87206341273E-01 18.536078105 0.25285612970 7.2940532777 0.43507154820 Cl P 2.9433248995 .35026513165 Cl P 1.0404970818 1.0000000 Cl P 0.38456415080 1.0000000 Cl P 0.13069642732 1.0000000 Cl D 4.61000000 0.20000000 1.01100000 1.00000000 Cl D 0.339000000 1.0000000 Cl F 0.706000000 1.0000000 #BASIS SET: (14s,9p,3d,1f) -> [5s,5p,2d,1f] Ar S 79111.4229980 0.51029325002E-03 11864.7460090 0.39463036981E-02 2700.1642973 0.20307073910E-01 763.95943485 0.79691825214E-01 248.45150561 0.23420623836 88.283581000 0.44833849481 32.948607069 0.36408167400 Ar S 142.55358000 0.26387407001E-01 44.163688009 0.11226433999 8.9524995000 -0.26178922001 Ar S 4.5546920941 1.3002484998 2.1444079001 0.67197237009 Ar S 0.60708777004 1.0000000 Ar S 0.21651431999 1.0000000 Ar P 776.77541998 0.22028005003E-02 183.80107018 0.17694180008E-01 58.694003175 0.82431293717E-01 21.701591695 0.24207278863 8.5821489635 0.42263558251 Ar P 3.4922679161 .34151806086 Ar P 1.2637426998 1.0000000 Ar P 0.46607870005 1.0000000 Ar P 0.15766003000 1.0000000 Ar D 5.55100000 0.20000000 1.23500000 1.00000000 Ar D 0.412000000 1.0000000 Ar F 0.890000000 1.0000000 #BASIS SET: (17s,11p,3d) -> [6s,4p,3d] K S 153976.1832500 0.23662636107E-03 23082.4976720 0.18342929137E-02 5253.2344745 0.95310527769E-02 1486.9550133 0.38638406980E-01 484.06333726 0.12480768502 173.56653980 0.29278861009 67.116381464 0.40633425860 26.339502054 0.20077215860 K S 172.87693567 -0.24200960936E-01 53.058649063 -0.11553095040 7.9212753964 0.57455545175 3.2108880472 0.57023185107 K S 4.5662070895 -0.22615763466 0.70209907282 0.75528392045 K S 0.28258942635 1.0000000 K S 0.35805824617E-01 1.0000000 K S 0.15819213245E-01 1.0000000 K P 728.18449873 0.26150689792E-02 172.13265061 0.20673630835E-01 54.829847075 0.93205603870E-01 20.166266494 0.25436518210 7.8610728806 0.39131132810 3.1105213132 0.22481345943 K P 11.757337492 -0.25777289217E-01 1.5139617411 0.57359428604 0.58328591795 1.0798320002 K P 0.21570478076 1.0000000 K P 0.0417370 1.0000000 K D 0.9300000 1.0000000 K D 0.1800000 1.0000000 K D 0.0540000 1.0000000 #BASIS SET: (17s,12p,4d) -> [6s,5p,3d] Ca S 172517.3268500 0.23317502546E-03 25861.5192750 0.18076521980E-02 5885.6618668 0.93943844255E-02 1665.9730031 0.38108409009E-01 542.36718148 0.12331203853 194.57803492 0.29004470954 75.303597636 0.40587151157 29.574062589 0.20398410743 Ca S 191.20074660 -0.24419759759E-01 58.840299883 -0.11547027448 8.9642540845 0.56356636717 3.6856960541 0.56709682704 Ca S 5.2464289726 -0.22825334325 0.84862621528 0.72625219172 Ca S 0.36743300538 1.0000000 Ca S 0.66821582613E-01 1.0000000 Ca S 0.26759730445E-01 1.0000000 Ca P 836.97262058 0.25258346092E-02 197.93040142 0.20076506686E-01 63.135558054 0.91302987366E-01 23.282687170 0.25247029915 9.1176444932 0.39426326344 3.6336120139 0.23011559492 Ca P 13.494163120 -0.26495021951E-01 1.8139259790 0.55088108210 0.71981826006 1.0280616620 Ca P 0.27629576992 1.0000000 Ca P 0.0749790 1.0000000 Ca P 0.0269270 1.0000000 Ca D 5.4979093879 0.73770011433E-01 1.3177128032 0.26052853169 Ca D 0.32188682649 0.45233836380 Ca D 0.70528614919E-01 1.0000000 #BASIS SET: (17s,11p,7d,1f) -> [6s,4p,4d,1f] Sc S 191612.9187400 0.23076475942E-03 28723.8503630 0.17890329946E-02 6537.0116490 0.92990401140E-02 1850.3097171 0.37739438011E-01 602.38855156 0.12227148359 216.17324766 0.28814821470 83.712517880 0.40517543099 32.908707189 0.20566019623 Sc S 211.34393234 -0.24527991462E-01 65.128920139 -0.11570158142 10.034311535 0.55995283317 4.1596884597 0.56087765073 Sc S 6.0009041613 -0.22840494325 0.98255784150 0.71948970378 Sc S 0.42483192773 1.0000000 Sc S 0.77185462096E-01 1.0000000 Sc S 0.30147219702E-01 1.0000000 Sc P 947.34122823 0.24737208744E-02 224.09699732 0.19742967060E-01 71.560334882 0.90357147549E-01 26.444824490 0.25201602503 10.393798285 0.39675535929 4.1606304559 0.23208624517 Sc P 15.565737135 -0.27129423974E-01 2.1121544865 0.55109256629 0.84184709021 1.0090635806 Sc P 0.32297542652 1.0000000 Sc P 0.0897480 1.0000000 Sc D 30.989390993 0.11902837431E-01 8.6905465069 0.67655856850E-01 2.9520256337 0.21332539722 1.0761910745 0.38391075578 Sc D 0.38338915095 .43354716259 Sc D 0.12534686113 .24509263822 Sc D 0.0410000 1.0000000 Sc F 0.3450000 1.0000000 #BASIS SET: (17s,11p,7d,1f) -> [6s,4p,4d,1f] Ti S 211575.6902500 0.23318151011E-03 31714.9450580 0.18079690851E-02 7217.5476543 0.93984311352E-02 2042.9394247 0.38156853618E-01 665.12896208 0.12374757197 238.74942264 0.29208551143 92.508691001 0.41226800855 36.403919209 0.21090534061 Ti S 232.72624607 -0.24920140738E-01 71.791209711 -0.11746490087 11.158534615 0.56503342318 4.6548135416 0.56211101812 Ti S 6.8034629174 -0.23011425503 1.1201076403 0.72103186735 Ti S 0.48080118839 1.0000000 Ti S 0.85157274977E-01 1.0000000 Ti S 0.32657477046E-01 1.0000000 Ti P 1063.1474732 0.24690839320E-02 251.56507061 0.19773345523E-01 80.408554854 0.90987976672E-01 29.768193269 0.25559900413 11.736830556 0.40489386764 4.7142375230 0.23693402558 Ti P 17.796803704 -0.27878639615E-01 2.4272698680 0.55672914668 0.96823445537 1.0055447350 Ti P 0.37056694165 1.0000000 Ti P 0.1015610 1.0000000 Ti D 37.713384723 0.11513835092E-01 10.692931184 0.67246343996E-01 3.6728446990 0.21484207775 1.3588590303 0.38890892779 Ti D 0.49213295253 .43040835243 Ti D 0.16330520653 .23253305465 Ti D 0.0540000 1.0000000 Ti F 0.5620000 1.0000000 #BASIS SET: (17s,11p,7d,1f) -> [6s,4p,4d,1f] V S 232340.6505800 0.23072410092E-03 34828.8411700 0.17888178962E-02 7926.5448691 0.92992490131E-02 2243.7733046 0.37761463347E-01 730.59322944 0.12255909662 262.32219631 0.28963508811 101.70403805 0.41004702955 40.064784617 0.21113610858 V S 255.24014968 -0.24458116338E-01 78.804646961 -0.11527205366 12.340598946 0.55174749453 5.1742019219 0.54504528489 V S 7.6513894469 -0.22967638286 1.2639759898 0.71683769077 V S 0.53861761721 1.0000000 V S 0.92719296124E-01 1.0000000 V S 0.34998055176E-01 1.0000000 V P 1184.2369151 0.24449826729E-02 280.23075192 0.19643454466E-01 89.643627137 0.90796949190E-01 33.242411253 0.25650768222 13.144514452 0.40815393750 5.2948534140 0.23860378268 V P 20.175586851 -0.28241489023E-01 2.7605865197 0.55574635619 1.1008900902 0.99319919270 V P 0.42013310739 1.0000000 V P 0.1112480 1.0000000 V D 43.861134864 0.11487174238E-01 12.516021891 0.68247153977E-01 4.3313854957 0.21837784195 1.6138855773 0.39245212296 V D 0.58749573961 .42634466786 V D 0.19515723011 .22646562601 V D 0.0650000 1.0000000 V F 0.8310000 1.0000000 #BASIS SET: (17s,11p,7d,1f) -> [6s,4p,4d,1f] Cr S 254477.8070400 0.23386945693E-03 38131.7970540 0.18142601800E-02 8675.2930607 0.94363925721E-02 2455.0099848 0.38343639367E-01 799.16217787 0.12459194837 286.90021489 0.29489696029 111.25413232 0.41846149607 43.864152636 0.21633763420 Cr S 279.32669173 -0.23450908111E-01 86.274732376 -0.11080370027 13.555756113 0.53028965842 5.6978112751 0.51603516947 Cr S 8.5636582615 -0.38109545675 1.3988296768 1.1991591436 Cr S 0.57288171116 1.0000000 Cr S 0.90096171317E-01 1.0000000 Cr S 0.34125885135E-01 1.0000000 Cr P 1306.4398864 0.24277326185E-02 309.25311441 0.19544041017E-01 98.996273963 0.90651794553E-01 36.756916451 0.25699279154 14.566657077 0.40935504891 5.8739937432 0.23729388849 Cr P 22.890999695 -0.28166026613E-01 3.0855001822 0.56034120148 1.2132329118 0.98119019650 Cr P 0.44931680699 1.0000000 Cr P 0.1206750 1.0000000 Cr D 43.720074476 0.13622964026E-01 12.391242652 0.78935180133E-01 4.2639442006 0.23833840000 1.5525221790 0.39526851122 Cr D 0.53761929485 .41061717056 Cr D 0.16493173074 .24440410795 Cr D 0.0510000 1.0000000 Cr F 1.1470000 1.0000000 #BASIS SET: (17s,11p,7d,1f) -> [6s,4p,4d,1f] Mn S 277185.0015300 0.22838385133E-03 41550.7698900 0.17707650375E-02 9455.9700152 0.92077209994E-02 2676.5206482 0.37415971825E-01 871.46687530 0.12164861426 312.98306420 0.28824392499 121.44454051 0.41041600847 47.922598829 0.21372375145 Mn S 303.66723163 -0.24589926140E-01 93.881403187 -0.11602608038 14.879421214 0.55112059677 6.2865200745 0.53707560756 Mn S 9.4858591337 -0.22889262695 1.5698706158 0.71196169587 Mn S 0.65903213608 1.0000000 Mn S 0.10686292371 1.0000000 Mn S 0.39267435433E-01 1.0000000 Mn P 1444.7978182 0.23994136455E-02 342.06551197 0.19369286864E-01 109.58400891 0.90236108988E-01 40.747988173 0.25745467851 16.188626566 0.41272351958 6.5484505964 0.24087700007 Mn P 25.357086437 -0.28707174058E-01 3.4830168782 0.55208100712 1.3858800906 0.97226901379 Mn P 0.52555094893 1.0000000 Mn P 0.1276500 1.0000000 Mn D 56.563189119 0.11543245294532E-01 16.278734711 0.70299845987196E-01 5.6964273914 0.22450770821295 2.1411147942 0.39703065434226 Mn D 0.78291801938 .41941039165375 Mn D 0.25952311214 .21887261672743 Mn D 0.0860000 1.0000000 Mn F 1.3260000 1.0000000 #BASIS SET: (17s,11p,7d,1f) -> [6s,4p,4d,1f] Fe S 300784.8463700 0.22806273096E-03 45088.9705570 0.17681788761E-02 10262.5163170 0.91927083490E-02 2905.2897293 0.37355495807E-01 946.11487137 0.12151108426 339.87832894 0.28818881468 131.94425588 0.41126612677 52.111494077 0.21518583573 Fe S 329.48839267 -0.24745216477E-01 101.92332739 -0.11683089050 16.240462745 0.55293621136 6.8840675801 0.53601640182 Fe S 10.470693782 -0.22912708577 1.7360039648 0.71159319984 Fe S 0.72577288979 1.0000000 Fe S 0.11595528203 1.0000000 Fe S 0.41968227746E-01 1.0000000 Fe P 1585.3959970 0.23793960179E-02 375.38006499 0.19253154755E-01 120.31816501 0.90021836536E-01 44.788749031 0.25798172356 17.829278584 0.41492649744 7.2247153786 0.24207474784 Fe P 28.143219756 -0.29041755152E-01 3.8743241412 0.55312260343 1.5410752281 0.96771136842 Fe P 0.58285615250 1.0000000 Fe P 0.1349150 1.0000000 Fe D 61.996675034 0.11971972255E-01 17.873732552 0.73210135410E-01 6.2744782934 0.23103094314 2.3552337175 0.39910706494 Fe D 0.85432239901 .41391589765 Fe D 0.27869254413 .21909269782 Fe D 0.0910000 1.0000000 Fe F 1.5980000 1.0000000 #BASIS SET: (17s,11p,7d,1f) -> [6s,4p,4d,1f] Co S 325817.0155300 0.22568462484E-03 48839.6364530 0.17499397533E-02 11114.9373070 0.91003134097E-02 3146.1603642 0.36996256837E-01 1024.4378465 0.12044269621 368.02508816 0.28598731649 142.91229205 0.40908312004 56.482649209 0.21500145739 Co S 356.40298318 -0.24767059678E-01 110.31165215 -0.11702139134 17.659634834 0.55215522200 7.5059030479 0.53246877060 Co S 11.501807176 -0.22942470077 1.9081994606 0.71180933514 Co S 0.79396696891 1.0000000 Co S 0.12444448829 1.0000000 Co S 0.44444645379E-01 1.0000000 Co P 1731.1369144 0.23905767685E-02 409.91750438 0.19382999967E-01 131.45648578 0.90905448509E-01 48.987439714 0.26146681577 19.537078992 0.42157264570 7.9287281634 0.24571813557 Co P 31.076017584 -0.29438069973E-01 4.2835180697 0.55615568168 1.7022921563 0.96772195064 Co P 0.64202908602 1.0000000 Co P 0.1413080 1.0000000 Co D 68.140745239 0.11983845360E-01 19.685241019 0.73688540475E-01 6.9322128825 0.23085496779 2.6025125694 0.39281059225 Co D 0.94016837302 .40203412228 Co D 0.30381457794 .21415606743 Co D 0.0980000 1.0000000 Co F 1.9030000 1.0000000 #BASIS SET: (17s,11p,7d,1f) -> [6s,4p,4d,1f] Ni S 351535.7293500 0.22529386884E-03 52695.8092830 0.17468616223E-02 11992.4682930 0.90849992136E-02 3394.5776689 0.36940748447E-01 1105.3594585 0.12032819950 397.14677769 0.28596715057 154.27542974 0.40983020196 61.018723780 0.21620642851 Ni S 384.45559739 -0.24651279268E-01 119.04879199 -0.11658505277 19.137012223 0.54864126676 8.1526718562 0.52640051122 Ni S 12.579408642 -0.22797884293 2.0870866081 0.70703738215 Ni S 0.86432568555 1.0000000 Ni S 0.13283169217 1.0000000 Ni S 0.46845327726E-01 1.0000000 Ni P 1883.0907486 0.23748258443E-02 445.95155320 0.19289457172E-01 143.08430815 0.90718211507E-01 53.372920722 0.26181414117 21.321919357 0.42309149832 8.6643561994 0.24641686015 Ni P 34.144255211 -0.29677129163E-01 4.7122455921 0.55616824096 1.8709231845 0.96357766460 Ni P 0.70370016267 1.0000000 Ni P 0.1465880 1.0000000 Ni D 74.591603465 0.12077454672E-01 21.590632752 0.74637262154E-01 7.6246142580 0.23236775502 2.8632206762 0.39042651680 Ni D 1.0311063388 .39509498921 Ni D 0.33060760691 .21138769167 Ni D 0.1060000 1.0000000 Ni F 2.1740000 1.0000000 #BASIS SET: (17s,11p,7d,1f) -> [6s,4p,4d,1f] Cu S 377518.7992300 0.22811766128E-03 56589.9843110 0.17688035931E-02 12878.7117060 0.91993460227E-02 3645.3752143 0.37411016434E-01 1187.0072945 0.12189873737 426.46421902 0.28983900714 165.70660164 0.41531872174 65.598942707 0.21905799287 Cu S 414.41265811 -0.24682525053E-01 128.32056039 -0.11716827406 20.622089750 0.55301315941 8.7821226045 0.52242718609 Cu S 13.741372006 -0.22736061821 2.2431246833 0.71761210873 Cu S 0.89370549079 1.0000000 Cu S 0.10836699534 1.0000000 Cu S 0.38806178058E-01 1.0000000 Cu P 2034.7596692 0.23524822298E-02 481.90468106 0.19134070751E-01 154.67482963 0.90171105278E-01 57.740576969 0.26063284735 23.099052811 0.42093485770 9.3882478591 0.24344615121 Cu P 37.596171210 -0.28991094530E-01 5.1240690810 0.54919083831 2.0119996085 0.93793330488 Cu P 0.73860686002 1.0000000 Cu P 0.1550650 1.0000000 Cu D 74.129460637 0.14363216676E-01 21.359842587 0.86628177096E-01 7.4995240537 0.25631430541 2.7601394169 0.40374062368 Cu D 0.95362061236 .39427042447 Cu D 0.28420862520 .23091146816 Cu D 0.0850000 1.0000000 Cu F 2.2330000 1.0000000 #BASIS SET: (17s,12p,7d,1f) -> [6s,5p,4d,1f] Zn S 405924.3102800 0.22442017483E-03 60846.9557350 0.17402086626E-02 13847.3430920 0.90513339565E-02 3919.6158551 0.36817341445E-01 1276.3594167 0.12004850256 458.67254435 0.28576057621 178.28725246 0.41087462062 70.612192837 0.21816962456 Zn S 443.88077950 -0.24934274984E-01 137.55875267 -0.11817955766 22.268083479 0.55367318468 9.5217310606 0.52628934936 Zn S 14.874114065 -0.22929955254 2.4647517612 0.71135484742 Zn S 1.0113272238 1.0000000 Zn S 0.14919852089 1.0000000 Zn S 0.51441872981E-01 1.0000000 Zn P 2205.3508534 0.23356240448E-02 522.35300699 0.19031022634E-01 167.73055542 0.89955758675E-01 62.670045373 0.26113248631 25.109749456 0.42348448173 10.225142681 0.24618926885 Zn P 40.713442521 -0.30029667592E-01 5.6247090696 0.55575254864 2.2279949116 0.95581013442 Zn P 0.83354741691 1.0000000 Zn P 0.1624550 1.0000000 Zn P 0.0477690 1.0000000 Zn D 88.554315311 0.12728170015E-01 25.721525557 0.79394499843E-01 9.1278367624 0.24491506805 3.4312364064 0.40390526479 Zn D 1.2308920645 .40158491145 Zn D 0.39031845112 .21579805034 Zn D 0.1240000 1.0000000 Zn F 2.6140000 1.0000000 #BASIS SET: (17s,12p,8d,1f) -> [6s,5p,4d,1f] Ga S 435548.6625400 0.23646329650E-03 65289.5890310 0.18335271776E-02 14858.7842560 0.95371863081E-02 4205.9734729 0.38803412468E-01 1369.6416431 0.12661604848 492.30348905 0.30175310292 191.41923233 0.43543934218 75.840558665 0.23282363780 Ga S 474.30810613 -0.26743707958E-01 147.10297560 -0.12654657542 23.982599435 0.58840346839 10.298230094 0.56324271589 Ga S 16.050381430 -0.24516439508 2.6988468784 0.74578049593 Ga S 1.1428588736 1.0000000 Ga S 0.20217652251 1.0000000 Ga S 0.71980152032E-01 1.0000000 Ga P 2432.0171070 0.22434065928E-02 576.12049582 0.18342265336E-01 185.11584354 0.87279697167E-01 69.246572556 0.25684868351 27.818107777 0.42398378107 11.420229938 0.25701340043 Ga P 42.819661530 -0.19326519119E-01 6.3885901000 0.31571386917 2.6698993326 0.57617792822 Ga P 1.0781783834 1.0000000 Ga P 0.22796559371 1.0000000 Ga P 0.62836234833E-01 1.0000000 Ga D 103.92331829 0.11464613652E-01 30.371094389 0.73625747383E-01 10.872078097 0.23505107382 4.1549137954 0.40318563513 1.5345659145 0.40824748152 Ga D 0.51114263830 .20502439263 Ga D 0.30622000 1.0000000 Ga D 0.11391309 1.0000000 Ga F 0.30996095 1.0000000 #BASIS SET: (17s,12p,8d,1f) -> [6s,5p,4d,1f] Ge S 466115.0059200 0.22487264660E-03 69875.4207620 0.17435426729E-02 15903.2767160 0.90691482206E-02 4501.8233453 0.36906174685E-01 1466.0570924 0.12050167907 527.07841728 0.28748641703 205.00395074 0.41622321885 81.251596065 0.22397845695 Ge S 505.74661282 -0.25184609291E-01 156.96593744 -0.11898929721 25.761448176 0.54930135870 11.106654687 0.52939309129 Ge S 17.272059104 -0.22854595728 2.9438289048 0.68377930317 Ge S 1.2839164916 1.0000000 Ge S 0.25873337445 1.0000000 Ge S 0.93524913177E-01 1.0000000 Ge P 2633.9346241 0.22143925310E-02 624.00161628 0.18140899141E-01 200.58528404 0.86632184922E-01 75.097081525 0.25649020592 30.214388474 0.42658611262 12.440087567 0.26200527313 Ge P 45.981316002 -0.20321767678E-01 6.9945654416 0.32013744527 2.9686001327 0.59051014555 Ge P 1.2320988495 1.0000000 Ge P 0.28981614974 1.0000000 Ge P 0.85564606447E-01 1.0000000 Ge D 119.44887581 0.10586544521E-01 35.062915293 0.69601280945E-01 12.636924529 0.22807035287 4.8888672922 0.40301067220 1.8453195392 0.41304847015 Ge D 0.63571158892 .19639209740 Ge D 0.35492132 1.0000000 Ge D 0.13155709 1.0000000 Ge F 0.36210645 1.0000000 #BASIS SET: (17s,13p,8d,1f) -> [6s,5p,4d,1f] As S 498032.4215800 0.22740196900E-03 74656.8687430 0.17632816413E-02 16990.9600040 0.91728040381E-02 4809.6200321 0.37337829344E-01 1566.2887055 0.12199536117 563.21360499 0.29137475324 219.11179978 0.42326351479 86.866061030 0.22921464278 As S 538.19512479 -0.25254197297E-01 167.14850224 -0.11915461115 27.605517159 0.54628495980 11.947858521 0.53001520976 As S 18.538023133 -0.23479188136 3.2018985739 0.69167053428 As S 1.4356522077 1.0000000 As S 0.31837805200 1.0000000 As S 0.11622632186 1.0000000 As P 2678.9421546 0.23318955287E-02 634.61765840 0.19042149977E-01 203.93967606 0.90229744913E-01 76.323890369 0.26169037693 30.664124943 0.41857168155 12.505056732 0.23447830190 As P 49.256229549 -0.21235539870E-01 7.7274891466 0.30470206668 3.5410493476 0.52888373107 1.6985585501 0.37272250955 As P 0.76848071044 1.0000000 As P 0.30050823260 1.0000000 As P 0.98190639437E-01 1.0000000 As D 135.33289305 0.99291144106E-02 39.860212744 0.66568843496E-01 14.446428359 0.22275768307 5.6432900356 0.40309224382 2.1668188623 0.41671667946 As D 0.76514970569 .18935502288 As D 0.42434653 1.0000000 As D 0.16331527 1.0000000 As F 0.43271941 1.0000000 #BASIS SET: (17s,13p,8d,1f) -> [6s,5p,4d,1f] Se S 531071.6669600 0.24108973168E-03 79603.0441170 0.18696431441E-02 18115.8442400 0.97271616536E-02 5127.8923194 0.39604793031E-01 1669.9130839 0.12948855136 600.57534527 0.30959437289 233.70021247 0.45115769216 92.672443932 0.24579189033 Se S 571.57513675 -0.26895707881E-01 177.63686375 -0.12670989353 29.517767052 0.57699001719 12.824399795 0.56369075408 Se S 19.848235841 -0.25132415534 3.4744018486 0.72905416980 Se S 1.5988910849 1.0000000 Se S 0.38333469387 1.0000000 Se S 0.14049742459 1.0000000 Se P 2815.3500566 0.25569026854E-02 666.92558298 0.20874026901E-01 214.34213188 0.98772096250E-01 80.246687942 0.28471821221 32.251081288 0.45003584934 13.106432562 0.24416091055 Se P 53.366108516 -0.21558456273E-01 8.1827777195 0.32662310638 3.6239945672 0.57740499319 1.6341591401 0.34301320826 Se P 0.58418320228 1.0000000 Se P 0.23966269279 1.0000000 Se P 0.88785134803E-01 1.0000000 Se D 151.82910279 0.93970276988E-02 44.839992523 0.64086503991E-01 16.328999510 0.21834238004 6.4305057612 0.40314789649 2.5048025169 0.41966491490 Se D 0.90271148434 .18366663432 Se D 0.47683613 1.0000000 Se D 0.18535160 1.0000000 Se F 0.48866905 1.0000000 #BASIS SET: (17s,13p,8d,1f) -> [6s,5p,4d,1f] Br S 565073.2525600 0.23660314690E-03 84701.7231790 0.18348332508E-02 19276.2719000 0.95465849860E-02 5456.4284576 0.38877142153E-01 1776.9503500 0.12718314231 639.19398276 0.30437662191 248.78823961 0.44490940497 98.678305494 0.24381643058 Br S 606.07824568 -0.26527158709E-01 188.45598484 -0.12484584809 31.497144506 0.56468683559 13.736008320 0.55555268564 Br S 21.203212766 -0.24940920493 3.7616420178 0.71213119743 Br S 1.7735933962 1.0000000 Br S 0.45197413664 1.0000000 Br S 0.16613377099 1.0000000 Br P 3019.6955723 0.24971049798E-02 715.35481126 0.20419267596E-01 229.98328751 0.96897148309E-01 86.167844615 0.28053901252 34.667870802 0.44606390473 14.113870307 0.24410073923 Br P 57.085653082 -0.21855950710E-01 8.8193845840 0.32707075320 3.9340302872 0.57855229520 1.7998830384 0.33570987698 Br P 0.66899410512 1.0000000 Br P 0.27136238231 1.0000000 Br P 0.10083790243 1.0000000 Br D 168.85370257 0.89663981988E-02 49.977949919 0.62062059316E-01 18.274913338 0.21474732384 7.2455694631 0.40335336746 2.8562315025 0.42208813080 Br D 1.0459621144 .17874813267 Br D 0.56865655 1.0000000 Br D 0.22031490 1.0000000 Br F 0.57083312 1.0000000 #BASIS SET: (17s,13p,8d,1f) -> [6s,5p,4d,1f] Kr S 600250.9757500 0.23740610399E-03 89976.6507810 0.18410240539E-02 20476.8142250 0.95795580699E-02 5796.1554078 0.39020650488E-01 1887.5913196 0.12772645628 679.11458519 0.30596521300 264.38244511 0.44857474437 104.88368574 0.24722957327 Kr S 641.47370764 -0.26745279805E-01 199.57524820 -0.12571122567 33.545462954 0.56483736390 14.683955144 0.55972765539 Kr S 22.603101860 -0.25298771800 4.0650682991 0.70992159965 Kr S 1.9611027060 1.0000000 Kr S 0.52465147979 1.0000000 Kr S 0.19332399511 1.0000000 Kr P 3232.9589614 0.24885607974E-02 765.96442694 0.20379007428E-01 246.33940810 0.96977188584E-01 92.365283041 0.28199960954 37.199509551 0.45116254358 15.172166534 0.24917131496 Kr P 60.931321698 -0.22173603519E-01 9.4792600646 0.32838462778 4.2564686326 0.58124997120 1.9729313762 0.32863541783 Kr P 0.76337108716 1.0000000 Kr P 0.30943625526 1.0000000 Kr P 0.11569704458 1.0000000 Kr D 186.41760904 0.86120284601E-02 55.274124345 0.60394406304E-01 20.283219120 0.21181331869 8.0884536976 0.40366293413 3.2214033853 0.42402860686 Kr D 1.1952170102 .17441742274 Kr D 0.6480000 1.0000000 Kr D 0.2510000 1.0000000 Kr F 0.6280000 1.0000000 #BASIS SET: (7s,7p,3d) -> [6s,4p,3d] Rb S 7.4744618040 0.26997866363 6.7296180594 -0.42629251814 Rb S 2.7816640004 1.0000000 Rb S 0.53452175148 1.0000000 Rb S 0.22368793034 1.0000000 Rb S 0.32410407052E-01 1.0000000 Rb S 0.14171047424E-01 1.0000000 Rb P 5.6720643194 0.48114224135E-01 3.3320183956 -0.18485131426 0.80150054910 0.42811864954 0.36302220227 0.58673165411 Rb P 0.15733924392 1.0000000 Rb P 0.40000000000E-01 1.0000000 Rb P 0.16000000000E-01 1.0000000 Rb D 0.25907866956 0.76806746340E-01 Rb D 0.42507438045E-01 0.37846160487 Rb D 0.11909276840E-01 1.0000000 #BASIS SET: (7s,7p,5d) -> [6s,4p,3d] Sr S 10.000000000 -0.18530550262 8.5000000000 0.33970355376 Sr S 3.0057048856 1.0000000 Sr S 0.61161287650 1.0000000 Sr S 0.27393841217 1.0000000 Sr S 0.57435564563E-01 1.0000000 Sr S 0.23338198665E-01 1.0000000 Sr P 7.5883077869 0.33731690287E-01 3.6731307392 -0.20523185005 0.90496618455 0.49209972665 0.43310256408 0.62105296512 Sr P 0.20222168964 1.0000000 Sr P 0.72000000000E-01 1.0000000 Sr P 0.25000000000E-01 1.0000000 Sr D 3.6180810000 -0.75010000000E-02 0.99665600000 0.10809800000 0.39073500000 0.27854000000 Sr D 0.12277000000 1.0000000 Sr D 0.36655000000E-01 1.0000000 #BASIS SET: (7s,7p,5d,1f) -> [6s,4p,3d,1f] Y S 10.000000000 -0.17487686796 8.5000000000 0.34152345084 Y S 3.3653905454 1.0000000 Y S 0.68860679385 1.0000000 Y S 0.31191502936 1.0000000 Y S 0.70326042567E-01 1.0000000 Y S 0.27733859327E-01 1.0000000 Y P 8.0554093616 0.36410978939E-01 4.0163458751 -0.20872572547 1.0232915404 0.48956929335 0.49843561636 0.60611943833 Y P 0.23307661842 1.0000000 Y P 0.80000000000E-01 1.0000000 Y P 0.27000000000E-01 1.0000000 Y D 3.9030833060 -0.98209792625E-02 1.1363234302 0.19183629664 0.45617043877 0.40597788539 Y D 0.17470950748 1.0000000 Y D 0.61978796638E-01 1.0000000 Y F 0.2651500 1.0000000 #BASIS SET: (7s,7p,5d,1f) -> [6s,4p,3d,1f] Zr S 11.000000000 -0.19075595257 9.5000000000 0.33895588754 Zr S 3.6383667759 1.0000000 Zr S 0.76822026698 1.0000000 Zr S 0.34036824036 1.0000000 Zr S 0.75261298085E-01 1.0000000 Zr S 0.30131404705E-01 1.0000000 Zr P 8.6066305543 0.40404260236E-01 4.4400979958 -0.21187745201 1.1281026946 0.49164266891 0.54346076310 0.57303370658 Zr P 0.25022406048 1.0000000 Zr P 0.85000000000E-01 1.0000000 Zr P 0.29000000000E-01 1.0000000 Zr D 4.5567957795 -0.96190569023E-02 1.2904939797 0.20569990155 0.51646987222 0.41831381851 Zr D 0.19349797794 1.0000000 Zr D 0.67309809967E-01 1.0000000 Zr F 0.3926100 1.0000000 #BASIS SET: (7s,7p,5d,1f) -> [6s,4p,3d,1f] Nb S 12.000000000 -0.20219507530 10.500000000 0.33640105939 Nb S 3.9276062854 1.0000000 Nb S 0.85976543258 1.0000000 Nb S 0.39074087505 1.0000000 Nb S 0.86387259879E-01 1.0000000 Nb S 0.32906200326E-01 1.0000000 Nb P 9.2056285646 0.43347689874E-01 4.8679632125 -0.21302479233 1.2442155792 0.48102127136 0.60390590312 0.53917858960 Nb P 0.27967675553 1.0000000 Nb P 0.90000000000E-01 1.0000000 Nb P 0.30000000000E-01 1.0000000 Nb D 4.6170975867 -0.13574476955E-01 1.5663438480 0.20374310496 0.66952425826 0.42997453105 Nb D 0.27140946867 1.0000000 Nb D 0.10054426592 1.0000000 Nb F 0.5227000 1.0000000 #BASIS SET: (7s,7p,5d,1f) -> [6s,4p,3d,1f] Mo S 14.000000000 -0.22490043406 12.500000000 0.33151248555 Mo S 4.0921501803 1.0000000 Mo S 0.97053602586 1.0000000 Mo S 0.44217620170 1.0000000 Mo S 0.92915024334E-01 1.0000000 Mo S 0.35016314389E-01 1.0000000 Mo P 8.8931117915 0.69994449475E-01 5.4689112270 -0.23547141883 1.3548473007 0.46315460007 0.65494867461 0.48820184710 Mo P 0.30428197472 1.0000000 Mo P 0.10000000000 1.0000000 Mo P 0.33000000000E-01 1.0000000 Mo D 5.0044445497 -0.21587364862E-01 1.7736823324 0.20958680086 0.76950591696 0.43730880599 Mo D 0.31530878939 1.0000000 Mo D 0.11754374390 1.0000000 Mo F 0.6554500 1.0000000 #BASIS SET: (7s,7p,5d,1f) -> [6s,4p,3d,1f] Tc S 15.000000000 -0.19945408941 12.910581694 0.33689922245 Tc S 4.4493321158 1.0000000 Tc S 1.0548409451 1.0000000 Tc S 0.47909677246 1.0000000 Tc S 0.99124162989E-01 1.0000000 Tc S 0.36882799789E-01 1.0000000 Tc P 10.027138011 0.61481602710E-01 5.8463419741 -0.23600729385 1.4968345491 0.47746483995 0.72934632066 0.50731543496 Tc P 0.33913558879 1.0000000 Tc P 0.11000000000 1.0000000 Tc P 0.35000000000E-01 1.0000000 Tc D 5.0906268699 -0.32176405405E-01 2.0156178510 0.21280802536 0.88113887240 0.44403309175 Tc D 0.36427094833 1.0000000 Tc D 0.13678402297 1.0000000 Tc F 0.7908500 1.0000000 #BASIS SET: (7s,7p,5d,1f) -> [6s,4p,3d,1f] Ru S 16.000000000 -0.20634002919 13.910581694 0.33550437725 Ru S 4.7967971407 1.0000000 Ru S 1.1555425594 1.0000000 Ru S 0.52455741182 1.0000000 Ru S 0.10734572646 1.0000000 Ru S 0.39432760192E-01 1.0000000 Ru P 11.187208671 0.53225073263E-01 6.2477688734 -0.22731662050 1.6279472859 0.47869486056 0.79326493538 0.50213311567 Ru P 0.36707276865 1.0000000 Ru P 0.11500000000 1.0000000 Ru P 0.37000000000E-01 1.0000000 Ru D 5.7341846619 -0.35266111560E-01 2.2483686294 0.21802502222 0.98376978359 0.44709565013 Ru D 0.40379445583 1.0000000 Ru D 0.14978618173 1.0000000 Ru F 0.9431400 1.0000000 #BASIS SET: (7s,7p,6d,1f) -> [6s,4p,3d,1f] Rh S 17.000000000 -0.16690803139 13.910581694 0.34235001652 Rh S 5.2481265288 1.0000000 Rh S 1.2262575928 1.0000000 Rh S 0.53930216349 1.0000000 Rh S 0.10130730377 1.0000000 Rh S 0.37124139005E-01 1.0000000 Rh P 11.767103631 0.59494859388E-01 6.7485133083 -0.23735853477 1.7502679834 0.49019334303 0.84321166133 0.50623933751 Rh P 0.38295544759 1.0000000 Rh P 0.11500000000 1.0000000 Rh P 0.37000000000E-01 1.0000000 Rh D 19.857830136 0.66960778187E-02 10.061378139 -0.21981738213E-01 2.2619546477 0.37918706236 0.97098845035 0.67289976592 Rh D 0.38391195297 1.0000000 Rh D 0.13537026904 1.0000000 Rh F 1.0949900 1.0000000 #BASIS SET: (7s,7p,6d,1f) -> [6s,4p,3d,1f] Pd S 18.000000000 -0.16605388598 14.662134308 0.34899955055 Pd S 5.6388709265 1.0000000 Pd S 1.3198953252 1.0000000 Pd S 0.57817908509 1.0000000 Pd S 0.10352166239 1.0000000 Pd S 0.37548442674E-01 1.0000000 Pd P 12.552899300 0.61728998206E-01 7.2444496380 -0.24178626753 1.8905941078 0.49453200915 0.90737168760 0.50454362626 Pd P 0.40877210813 1.0000000 Pd P 0.11500000000 1.0000000 Pd P 0.37000000000E-01 1.0000000 Pd D 22.357457575 0.39559479546E-02 10.682526382 -0.14039011601E-01 2.4858232550 0.24219476776 1.0735333903 0.42580283281 Pd D 0.42613842853 1.0000000 Pd D 0.15046355385 1.0000000 Pd F 1.2462900 1.0000000 #BASIS SET: (7s,7p,6d,1f) -> [6s,4p,3d,1f] Ag S 19.000000000 -0.16600104141 15.428199933 0.35665095918 Ag S 6.0553507268 1.0000000 Ag S 1.4162368935 1.0000000 Ag S 0.61758635858 1.0000000 Ag S 0.10474197431 1.0000000 Ag S 0.37685106264E-01 1.0000000 Ag P 13.188180180 0.66928737147E-01 7.7952789138 -0.24735235409 2.0351571912 0.49154280216 0.98093914842 0.49741609006 Ag P 0.44451179958 1.0000000 Ag P 0.13000000000 1.0000000 Ag P 0.41200000000E-01 1.0000000 Ag D 25.784397351 0.35645063082E-02 11.396636755 -0.12984262784E-01 2.7345581361 0.24108826548 1.1873583605 0.42412330744 Ag D 0.47316910566 1.0000000 Ag D 0.16746017986 1.0000000 Ag F 1.3971100 1.0000000 #BASIS SET: (7s,7p,6d,1f) -> [6s,4p,3d,1f] Cd S 20.000000000 -0.17401196927 16.309051661 0.37137277194 Cd S 6.4512709901 1.0000000 Cd S 1.5350047390 1.0000000 Cd S 0.68983631523 1.0000000 Cd S 0.13475720977 1.0000000 Cd S 0.47416874527E-01 1.0000000 Cd P 14.000681404 0.69333062793E-01 8.3094019872 -0.25420103681 2.2020058122 0.49200980368 1.0779246137 0.49702118131 Cd P 0.50111879846 1.0000000 Cd P 0.16000000000 1.0000000 Cd P 0.51600000000E-01 1.0000000 Cd D 30.380789793 0.32545123835E-02 11.474551578 -0.14212074843E-01 3.0507394903 0.24961756436 1.3622028524 0.44905635176 Cd D 0.56399409888 1.0000000 Cd D 0.20916686535 1.0000000 Cd F 1.5981300 1.0000000 #BASIS SET: (10s,9p,8d,2f) -> [6s,5p,3d,2f] In S 847.79276774 0.12432052471E-03 72.041054824 0.23600367607E-02 41.061316522 -0.85588299453E-02 12.407609713 0.62952032489 In S 11.640316941 1.5543429200 6.3695642727 0.67492488361 In S 1.7063236353 1.0000000 In S 0.78666967936 1.0000000 In S 0.16965196873 1.0000000 In S 0.62074858667E-01 1.0000000 In P 268.28136685 0.11542193636E-03 14.781553782 0.77779830292E-01 8.8041476194 -0.28332389472 In P 2.3717277227 0.47896111744 1.1927065422 0.48293819961 0.58352812041 0.16843883728 In P 0.23280968310 1.0000000 In P 0.88674065208E-01 1.0000000 In P 0.33598828267E-01 1.0000000 In D 94.282575063 0.43652729696E-03 19.716431102 0.63918753088 19.600106824 -0.64663115577 3.5643186737 0.21187579614 1.7017801400 0.42129321741 0.76456615531 0.38418127707 In D 0.31826765584 1.0000000 In D 0.10000000000 1.0000000 In F 0.9000000 1.0000000 In F 0.26415991 1.0000000 #BASIS SET: (10s,9p,8d,2f) -> [6s,5p,3d,2f] Sn S 1577.0715931 0.17042767713E-03 235.26601078 0.81467057272E-03 38.206330645 -0.39057904293E-02 13.097031765 0.53245922343 Sn S 11.681492759 1.5435287275 5.9647604361 0.76421510041 Sn S 1.8891070740 1.0000000 Sn S 0.88514080630 1.0000000 Sn S 0.20500105152 1.0000000 Sn S 0.76748551032E-01 1.0000000 Sn P 221.55767496 0.31125177983E-03 21.084021433 0.31108097016E-01 8.7600138521 -0.27571560918 Sn P 2.5912909722 0.45912328666 1.3426801157 0.49682867217 0.67732735829 0.18962377821 Sn P 0.29418756752 1.0000000 Sn P 0.11863762052 1.0000000 Sn P 0.46215750632E-01 1.0000000 Sn D 108.33210154 0.46561853277E-03 23.703936630 0.54063163067E-01 22.339843906 -0.58928768877E-01 4.0874834028 0.19588500896 1.9737354146 0.42301799185 0.90158257692 0.39252716176 Sn D 0.38237153649 1.0000000 Sn D 0.12000000000 1.0000000 Sn F 1.0000000 1.0000000 Sn F 0.2939284850 1.0000000 #BASIS SET: (10s,9p,8d,2f) -> [6s,5p,3d,2f] Sb S 1612.4199933 0.28540380783E-03 238.84452097 0.13393778746E-02 23.998118809 -0.49388154574E-01 15.193124213 0.43392227254 Sb S 11.736409733 0.92125519965 6.5259774794 0.79235280226 Sb S 2.0247451872 1.0000000 Sb S 0.97113418587 1.0000000 Sb S 0.24254333998 1.0000000 Sb S 0.92206608177E-01 1.0000000 Sb P 215.68393354 0.26051823221E-03 16.374479088 0.73728000195E-01 9.7216283345 -0.27230028128 Sb P 2.7982643154 0.46472692374 1.4711045033 0.50364242075 0.75165385301 0.18706666294 Sb P 0.33168699849 1.0000000 Sb P 0.13931606366 1.0000000 Sb P 0.56399307526E-01 1.0000000 Sb D 115.90312253 0.53140915051E-03 30.474233720 0.59411139166E-02 18.228418239 -0.10563706947E-01 4.3291456646 0.20348177341 2.1294818496 0.42748378928 0.99682636692 0.38539560809 Sb D 0.43347239863 1.0000000 Sb D 0.14000000000 1.0000000 Sb F 1.1000000 1.0000000 Sb F 0.32369706 1.0000000 #BASIS SET: (11s,9p,8d,2f) -> [6s,5p,3d,2f] Te S 6213.2001650 0.17392073280E-03 920.89640017 0.11933589842E-02 199.28042708 0.36256556777E-02 24.774233098 -0.59791033012E-01 14.838199169 0.95943203263 Te S 12.278761954 0.75942429936 6.3807845532 0.35331689542 Te S 2.2228405205 1.0000000 Te S 1.0776043442 1.0000000 Te S 0.28136649025 1.0000000 Te S 0.10781573341 1.0000000 Te P 204.29400852 0.40605406751E-03 18.208759358 0.60255451613E-01 9.9211024302 -0.27491671277 Te P 3.1441528685 0.43154849974 1.7220884031 0.55403079110 0.89098945714 0.24087311227 Te P 0.39804719568 1.0000000 Te P 0.16538785242 1.0000000 Te P 0.65082695586E-01 1.0000000 Te D 121.51055249 0.63490629024E-03 32.968794396 0.61811936324E-02 19.249862451 -0.88929825218E-02 4.7198407254 0.20159884764 2.3428061416 0.42976049013 1.1135379412 0.38247126751 Te D 0.49200061510 1.0000000 Te D 0.16000000000 1.0000000 Te F 1.8500000 1.0000000 Te F 0.38255757 1.0000000 #BASIS SET: (11s,10p,8d,2f) -> [6s,5p,3d,2f] I S 5899.5791533 0.24188269271E-03 898.54238765 0.15474041742E-02 200.37237912 0.42836684457E-02 31.418053840 -0.39417936275E-01 15.645987838 0.96086691992 I S 11.815741857 0.75961524091 6.4614458287 0.42495501835 I S 2.3838067579 1.0000000 I S 1.1712089662 1.0000000 I S 0.32115875757 1.0000000 I S 0.12387919364 1.0000000 I P 197.30030547 0.73951226905E-03 20.061411349 0.66168450008E-01 9.7631460485 -0.28554662348 I P 12.984316904 -0.49096186164E-01 3.6199503008 0.38914432482 2.0232273090 0.65610817262 1.0367490559 0.31803551647 I P 0.45937816000 1.0000000 I P 0.19116532928 1.0000000 I P 0.74878813023E-01 1.0000000 I D 119.12671745 0.82596039573E-03 33.404240134 0.68377675770E-02 17.805918203 -0.10308158997E-01 4.8990510353 0.22670457658 2.4516753106 0.44180113937 1.1820693432 0.36775472225 I D 0.52923110068 1.0000000 I D 0.17000000000 1.0000000 I F 2.1800000 1.0000000 I F 0.44141808 1.0000000 #BASIS SET: (11s,10p,8d,2f) -> [6s,5p,3d,2f] Xe S 6420.2481656 0.25092173886E-03 983.54530664 0.16251948178E-02 219.43881364 0.46037106451E-02 23.012587807 -0.14698707182 18.048324490 0.57524870348 Xe S 11.752550163 0.66038420156 6.2390917199 0.38470524721 Xe S 2.6257211320 1.0000000 Xe S 1.2905042943 1.0000000 Xe S 0.36204185060 1.0000000 Xe S 0.14069888091 1.0000000 Xe P 193.81432545 0.95394802497E-03 21.725228086 0.57393353332E-01 9.8891605641 -0.27974266640 Xe P 13.960683826 -0.50950157807E-01 4.0928947097 0.36669211800 2.2546815460 0.72619456861 1.1546596184 0.35555871740 Xe P 0.52321923128 1.0000000 Xe P 0.21945569800 1.0000000 Xe P 0.86158996836E-01 1.0000000 Xe D 135.60300038 0.81873543290E-03 38.727062692 0.60897654151E-02 15.377328089 -0.92782985596E-02 5.2602537686 0.22890785589 2.6590627424 0.44434407051 1.2938205124 0.36029482992 Xe D 0.58050830139 1.0000000 Xe D 0.18000000000 1.0000000 Xe F 2.5000000 1.0000000 Xe F 0.49652793 1.0000000 #BASIS SET: (7s,6p,3d) -> [5s,3p,3d] Cs S 5.8778113443 0.12859994983 4.3631538286 -0.34632569725 1.8048475155 0.69930637051 Cs S 0.37485237136 1.0000000 Cs S 0.16384858778 1.0000000 Cs S 0.27230462048E-01 1.0000000 Cs S 0.11991533212E-01 1.0000000 Cs P 4.2751856154 0.45723074174E-01 1.9656663360 -0.25019961976 0.47689195212 0.55660850066 0.21529749588 0.58218553406 Cs P 0.91450850296E-01 1.0000000 Cs P 0.17592078473E-01 1.0000000 Cs D 0.27941471548 0.15040680034 Cs D 0.62419809739E-01 0.36150912942 Cs D 0.15987870156E-01 1.0000000 #BASIS SET: (7s,7p,5d,4f) -> [6s,4p,3d,1f] Ba S 6.0000000000 -0.56587174838 4.9822082226 0.97514768535 Ba S 2.1451943914 1.0000000 Ba S 0.41486174100 1.0000000 Ba S 0.19214757016 1.0000000 Ba S 0.48465890337E-01 1.0000000 Ba S 0.20138298948E-01 1.0000000 Ba P 5.5000000000 -0.44586312998 4.9017938336 0.67755479813 2.6142685062 -0.46010554954 0.47903394983 0.68749608021 Ba P 0.19415138747 1.0000000 Ba P 0.34917622027E-01 1.0000000 Ba P 0.16320065666E-01 1.0000000 Ba D 0.96631500000 -0.90893800000 0.89382800000 0.94724000000 0.27319500000 0.32205700000 Ba D 0.10389100000 1.0000000 Ba D 0.35578000000E-01 1.0000000 Ba F 10.00 0.073 3.20 0.210 1.00 0.350 0.32 0.360 #BASIS SET: (7s,7p,5d,1f) -> [6s,4p,3d,1f] La S 5.0873990000 -0.44174952534 4.2709780000 0.85812466843 La S 2.1823656045 1.0000000 La S 0.48966533785 1.0000000 La S 0.23301675348 1.0000000 La S 0.55719523051E-01 1.0000000 La S 0.22854708808E-01 1.0000000 La P 6.0000000000 -0.11397960924E-01 3.6808191615 0.14675038550 2.3265462081 -0.35581819167 0.64342629633 0.45834955229 La P 0.33584281962 1.0000000 La P 0.16519051916 1.0000000 La P 0.354E-01 1.0000000 La D 1.2675288018 -0.17569274035 0.89395340284 0.25139922933 0.33095767339 0.44603267053 La D 0.13461377501 1.0000000 La D 0.51441629839E-01 1.0000000 La F 0.2568300 1.0000000 #BASIS SET: (14s,14p,10d,8f,1g) -> [10s,7p,5d,4f,1g] Ce S 66920.681000 0.50000000000E-05 7142.4190000 0.62000000000E-04 1149.2279000 0.40800000000E-03 626.04740000 0.80000000000E-04 137.28130000 0.35590000000E-02 Ce S 36.643400000 1.0000000 Ce S 25.974200000 1.0000000 Ce S 11.885900000 1.0000000 Ce S 3.0284000000 1.0000000 Ce S 1.5664000000 1.0000000 Ce S 0.59370000000 1.0000000 Ce S 0.26300000000 1.0000000 Ce S 0.49000000000E-01 1.0000000 Ce S 0.20700000000E-01 1.0000000 Ce P 6.4369463859 -0.10809501000 3.8798398182 -0.23803318999 1.9048218166 -0.19736029000 Ce P 1540.6142012 -0.26957183646E-04 327.03620501 -0.28472254334E-03 109.60350154 -0.32344795159E-03 21.538843756 -0.70680313025E-01 13.193872708 0.24804039000 3.0269443306 -0.25859425000 Ce P 1.3440027231 1.0000000 Ce P 0.75170989085 1.0000000 Ce P 0.33582028579 1.0000000 Ce P 0.13679455578 1.0000000 Ce P 0.34898392874E-01 1.0000000 Ce D 367.71570000 0.12000000000E-03 109.87980000 0.99100000000E-03 36.021100000 0.77780000000E-02 14.763700000 -0.62958000000E-01 7.3281000000 0.18034200000 3.9441000000 0.43252900000 Ce D 2.0202000000 1.0000000 Ce D 0.96490000000 1.0000000 Ce D 0.32730000000 1.0000000 Ce D 0.10320000000 1.0000000 Ce F 123.48210000 0.15660000000E-02 43.988100000 0.18101000000E-01 19.451800000 0.76157000000E-01 8.6013000000 0.19268300000 3.8049000000 0.32433200000 Ce F 1.6176000000 1.0000000 Ce F 0.63640000000 1.0000000 Ce F 0.21640000000 1.0000000 Ce G 0.37110000000 1.0000000 #BASIS SET: (14s,14p,10d,8f,1g) -> [10s,7p,5d,4f,1g] Pr S 66920.681000 0.80000000000E-05 10906.625000 0.50000000000E-04 2635.4147000 0.24300000000E-03 713.90510000 0.87600000000E-03 140.01390000 0.41760000000E-02 Pr S 38.128000000 1.0000000 Pr S 26.985500000 1.0000000 Pr S 12.495900000 1.0000000 Pr S 3.1878000000 1.0000000 Pr S 1.6451000000 1.0000000 Pr S 0.61850000000 1.0000000 Pr S 0.27310000000 1.0000000 Pr S 0.50600000000E-01 1.0000000 Pr S 0.21200000000E-01 1.0000000 Pr P 6.6047433884 -0.10834093438 3.9695549710 -0.24027465924 1.8876075409 -0.19718069819 Pr P 1542.4277530 -0.39138546304E-04 334.96907623 -0.39055170334E-03 109.62343240 -0.89406456462E-03 22.183078862 -0.70604726802E-01 13.658163200 0.24747588569 3.0331953705 -0.25776259936 Pr P 1.1574042008 1.0000000 Pr P 0.70703662269 1.0000000 Pr P 0.32376482703 1.0000000 Pr P 0.13270288477 1.0000000 Pr P 0.35682474433E-01 1.0000000 Pr D 355.96150000 0.19300000000E-03 107.14140000 0.15450000000E-02 37.556200000 0.90040000000E-02 15.085900000 -0.47296000000E-01 7.3832000000 0.20233700000 3.9795000000 0.43537400000 Pr D 2.0469000000 1.0000000 Pr D 0.97940000000 1.0000000 Pr D 0.32960000000 1.0000000 Pr D 0.10260000000 1.0000000 Pr F 124.50830000 0.18850000000E-02 44.583700000 0.20949000000E-01 19.873100000 0.85208000000E-01 8.9102000000 0.20531200000 3.9977000000 0.33340300000 Pr F 1.7285000000 1.0000000 Pr F 0.69360000000 1.0000000 Pr F 0.24180000000 1.0000000 Pr G 0.40950000000 1.0000000 #BASIS SET: (14s,14p,10d,8f,1g) -> [10s,7p,5d,4f,1g] Nd S 67945.590000 0.15000000000E-04 9404.4083000 0.12500000000E-03 2084.3177000 0.61000000000E-03 586.98950000 0.17730000000E-02 142.94060000 0.53920000000E-02 Nd S 39.672200000 1.0000000 Nd S 28.087800000 1.0000000 Nd S 13.056900000 1.0000000 Nd S 3.3514000000 1.0000000 Nd S 1.7247000000 1.0000000 Nd S 0.64270000000 1.0000000 Nd S 0.28280000000 1.0000000 Nd S 0.51900000000E-01 1.0000000 Nd S 0.21700000000E-01 1.0000000 Nd P 6.7103596337 -0.10881330998 4.1550367670 -0.24076653997 1.9929222501 -0.19049609000 Nd P 1541.9152978 -0.71997456535E-04 335.40289049 -0.58631673271E-03 106.74203322 -0.17009914039E-02 22.896710196 -0.72558322965E-01 14.200399316 0.24695703002 3.0867394424 -0.25921514998 Nd P 1.1874978721 1.0000000 Nd P 0.65259339716 1.0000000 Nd P 0.29362298053 1.0000000 Nd P 0.11747692376 1.0000000 Nd P 0.32216083150E-01 1.0000000 Nd D 350.96120000 0.28200000000E-03 105.96210000 0.22220000000E-02 38.470400000 0.11016000000E-01 15.482600000 -0.31804000000E-01 7.4260000000 0.22399400000 3.9996000000 0.43687400000 Nd D 2.0642000000 1.0000000 Nd D 0.98980000000 1.0000000 Nd D 0.33700000000 1.0000000 Nd D 0.10510000000 1.0000000 Nd F 126.08450000 0.21720000000E-02 45.167900000 0.23585000000E-01 20.170000000 0.94142000000E-01 9.0999000000 0.21745600000 4.1085000000 0.33961200000 Nd F 1.7914000000 1.0000000 Nd F 0.72580000000 1.0000000 Nd F 0.25620000000 1.0000000 Nd G 0.43120000000 1.0000000 #BASIS SET: (14s,14p,10d,8f,1g) -> [10s,7p,5d,4f,1g] Pm S 69642.715000 0.29000000000E-04 10512.976000 0.21700000000E-03 2302.5578000 0.11360000000E-02 604.17620000 0.36880000000E-02 155.76230000 0.77630000000E-02 Pm S 43.085200000 1.0000000 Pm S 27.874400000 1.0000000 Pm S 13.739500000 1.0000000 Pm S 3.4869000000 1.0000000 Pm S 1.7860000000 1.0000000 Pm S 0.66590000000 1.0000000 Pm S 0.29190000000 1.0000000 Pm S 0.53000000000E-01 1.0000000 Pm S 0.22100000000E-01 1.0000000 Pm P 6.8237905134 -0.10890262000 4.2307930831 -0.23718578999 1.8619629957 -0.19281728001 Pm P 1541.8763965 -0.97813730374E-04 336.04008962 -0.78060176940E-03 106.56623043 -0.23069377088E-02 23.811447991 -0.74414777977E-01 14.908551039 0.24496395000 3.1749164710 -0.26347889002 Pm P 0.97760378202 1.0000000 Pm P 0.48131299262 1.0000000 Pm P 0.22682633560 1.0000000 Pm P 0.83616938506E-01 1.0000000 Pm P 0.29345374972E-01 1.0000000 Pm D 341.80600000 0.43500000000E-03 102.94180000 0.34200000000E-02 38.223400000 0.14991000000E-01 16.124600000 -0.11413000000E-01 7.4243000000 0.24276300000 4.0177000000 0.43130900000 Pm D 2.0884000000 1.0000000 Pm D 1.0041000000 1.0000000 Pm D 0.34370000000 1.0000000 Pm D 0.10720000000 1.0000000 Pm F 126.65160000 0.26100000000E-02 45.667200000 0.27331000000E-01 20.494900000 0.10293400000 9.3103000000 0.22727400000 4.2351000000 0.34313100000 Pm F 1.8604000000 1.0000000 Pm F 0.75850000000 1.0000000 Pm F 0.26920000000 1.0000000 Pm G 0.45190000000 1.0000000 #BASIS SET: (14s,14p,10d,8f,1g) -> [10s,7p,5d,4f,1g] Sm S 70078.171000 0.97000000000E-04 10598.384000 0.73000000000E-03 2413.8660000 0.35230000000E-02 677.40310000 0.10873000000E-01 208.50730000 0.17824000000E-01 Sm S 39.366300000 1.0000000 Sm S 27.987500000 1.0000000 Sm S 14.342600000 1.0000000 Sm S 3.6128000000 1.0000000 Sm S 1.8452000000 1.0000000 Sm S 0.68750000000 1.0000000 Sm S 0.30010000000 1.0000000 Sm S 0.53900000000E-01 1.0000000 Sm S 0.22400000000E-01 1.0000000 Sm P 7.3871345024 -0.10977915000 4.3824346508 -0.24311473001 1.9204352599 -0.18652745001 Sm P 1545.8172951 -0.14093759837E-03 358.33097527 -0.10497581620E-02 105.41095006 -0.38047009161E-02 24.323692819 -0.75758384975E-01 15.330016786 0.24471562999 3.2777030287 -0.25977821004 Sm P 1.0521152834 1.0000000 Sm P 0.50532320012 1.0000000 Sm P 0.22745219573 1.0000000 Sm P 0.76702408745E-01 1.0000000 Sm P 0.27281849214E-01 1.0000000 Sm D 398.01540000 0.43300000000E-03 115.54660000 0.38520000000E-02 41.893700000 0.17324000000E-01 20.774300000 0.57430000000E-02 7.5304000000 0.25998300000 4.0454000000 0.43147800000 Sm D 2.1012000000 1.0000000 Sm D 1.0105000000 1.0000000 Sm D 0.34750000000 1.0000000 Sm D 0.10830000000 1.0000000 Sm F 127.18630000 0.30500000000E-02 45.939600000 0.31145000000E-01 20.623400000 0.11362400000 9.3855000000 0.24012800000 4.2790000000 0.34765200000 Sm F 1.8883000000 1.0000000 Sm F 0.77480000000 1.0000000 Sm F 0.27760000000 1.0000000 Sm G 0.46380000000 1.0000000 #BASIS SET: (14s,14p,10d,8f,1g) -> [10s,7p,5d,4f,1g] Eu S 70059.420000 0.97000000000E-04 10776.235000 0.70700000000E-03 2482.4901000 0.33620000000E-02 702.15260000 0.10206000000E-01 216.79260000 0.16597000000E-01 Eu S 41.495000000 1.0000000 Eu S 29.496900000 1.0000000 Eu S 15.030900000 1.0000000 Eu S 3.7772000000 1.0000000 Eu S 1.9219000000 1.0000000 Eu S 0.71310000000 1.0000000 Eu S 0.30970000000 1.0000000 Eu S 0.54900000000E-01 1.0000000 Eu S 0.22700000000E-01 1.0000000 Eu P 7.4940301111 -0.10983416002 4.5438093966 -0.24311706000 2.0144742222 -0.18613405999 Eu P 1545.4788969 -0.21477687577E-03 348.79762213 -0.16803101931E-02 105.52943529 -0.57348847854E-02 25.617997454 -0.75899902959E-01 15.784430330 0.24468326999 3.3852871239 -0.26307923005 Eu P 1.1083886524 1.0000000 Eu P 0.51142648878 1.0000000 Eu P 0.22561415288 1.0000000 Eu P 0.76000181463E-01 1.0000000 Eu P 0.27117030486E-01 1.0000000 Eu D 389.08410000 0.53400000000E-03 117.76020000 0.42580000000E-02 44.986900000 0.17160000000E-01 22.859900000 0.12427000000E-01 7.8331000000 0.27041600000 4.1134000000 0.44527200000 Eu D 2.0999000000 1.0000000 Eu D 1.0043000000 1.0000000 Eu D 0.34220000000 1.0000000 Eu D 0.10510000000 1.0000000 Eu F 128.23410000 0.34240000000E-02 46.268500000 0.34313000000E-01 20.736600000 0.12319400000 9.4479000000 0.25182400000 4.3149000000 0.35129200000 Eu F 1.9121000000 1.0000000 Eu F 0.78970000000 1.0000000 Eu F 0.28590000000 1.0000000 Eu G 0.47520000000 1.0000000 #BASIS SET: (14s,14p,10d,8f,1g) -> [10s,7p,5d,4f,1g] Gd S 70672.982000 0.13500000000E-03 10580.420000 0.10060000000E-02 2467.2196000 0.46050000000E-02 710.30550000 0.13577000000E-01 223.69340000 0.20915000000E-01 Gd S 42.884500000 1.0000000 Gd S 30.595200000 1.0000000 Gd S 15.792300000 1.0000000 Gd S 3.9598000000 1.0000000 Gd S 2.0077000000 1.0000000 Gd S 0.74940000000 1.0000000 Gd S 0.32410000000 1.0000000 Gd S 0.57800000000E-01 1.0000000 Gd S 0.23700000000E-01 1.0000000 Gd P 8.3793352896 -0.11016848999 4.7567465018 -0.24310255997 2.1155437701 -0.18589755998 Gd P 1547.5176828 -0.27484377768E-03 341.04355363 -0.22027518871E-02 100.44808811 -0.74993330072E-02 25.638724200 -0.75632911948E-01 15.897630316 0.24448929000 3.5643308647 -0.26400163004 Gd P 1.2378242468 1.0000000 Gd P 0.57874986425 1.0000000 Gd P 0.25295715243 1.0000000 Gd P 0.78345762145E-01 1.0000000 Gd P 0.28325755449E-01 1.0000000 Gd D 406.09940000 0.65500000000E-03 122.42050000 0.53410000000E-02 46.367900000 0.22180000000E-01 20.728900000 0.29630000000E-01 7.9773000000 0.28827000000 4.1175000000 0.44967800000 Gd D 2.0783000000 1.0000000 Gd D 0.98880000000 1.0000000 Gd D 0.33890000000 1.0000000 Gd D 0.10370000000 1.0000000 Gd F 128.70520000 0.39700000000E-02 46.564700000 0.38735000000E-01 20.888200000 0.13395800000 9.5233000000 0.26283500000 4.3476000000 0.35391100000 Gd F 1.9241000000 1.0000000 Gd F 0.79260000000 1.0000000 Gd F 0.28550000000 1.0000000 Gd G 0.47570000000 1.0000000 #BASIS SET: (14s,14p,10d,8f,1g) -> [10s,7p,5d,4f,1g] Tb S 72672.982000 0.14500000000E-03 10989.467000 0.10810000000E-02 2527.1175000 0.50610000000E-02 721.01020000 0.14727000000E-01 226.91820000 0.22029000000E-01 Tb S 46.084600000 1.0000000 Tb S 30.515700000 1.0000000 Tb S 15.763200000 1.0000000 Tb S 4.0394000000 1.0000000 Tb S 2.0660000000 1.0000000 Tb S 0.74960000000 1.0000000 Tb S 0.32390000000 1.0000000 Tb S 0.56100000000E-01 1.0000000 Tb S 0.23100000000E-01 1.0000000 Tb P 8.9860567493 -0.11195705980 4.9587485157 -0.24219364975 2.0850168854 -0.18569740970 Tb P 1496.7406375 -0.35252193521E-03 336.67224858 -0.27802936896E-02 95.107797436 -0.97271998087E-02 26.173983351 -0.75975213748E-01 16.574198794 0.24438375027 3.7589776432 -0.26379918982 Tb P 1.3118796539 1.0000000 Tb P 0.60093829090 1.0000000 Tb P 0.26272369944 1.0000000 Tb P 0.79998395175E-01 1.0000000 Tb P 0.29116323886E-01 1.0000000 Tb D 410.83070000 0.84900000000E-03 123.83550000 0.69370000000E-02 47.013100000 0.28533000000E-01 20.298900000 0.50342000000E-01 8.0138000000 0.30163300000 4.0855000000 0.44817800000 Tb D 2.0516000000 1.0000000 Tb D 0.98380000000 1.0000000 Tb D 0.34200000000 1.0000000 Tb D 0.10580000000 1.0000000 Tb F 128.96660000 0.45880000000E-02 46.786100000 0.43563000000E-01 21.002100000 0.14488000000 9.5773000000 0.27243000000 4.3716000000 0.35365200000 Tb F 1.9343000000 1.0000000 Tb F 0.79600000000 1.0000000 Tb F 0.28660000000 1.0000000 Tb G 0.47760000000 1.0000000 #BASIS SET: (14s,14p,10d,8f,1g) -> [10s,7p,5d,4f,1g] Dy S 78529.743000 0.13800000000E-03 11854.699000 0.10330000000E-02 2719.9807000 0.48610000000E-02 772.40360000 0.14340000000E-01 242.03200000 0.21620000000E-01 Dy S 48.356200000 1.0000000 Dy S 31.880600000 1.0000000 Dy S 16.860900000 1.0000000 Dy S 4.2155000000 1.0000000 Dy S 2.1287000000 1.0000000 Dy S 0.78890000000 1.0000000 Dy S 0.33830000000 1.0000000 Dy S 0.58100000000E-01 1.0000000 Dy S 0.23800000000E-01 1.0000000 Dy P 11.024274121 -0.11776304007 5.4163925954 -0.24421949997 2.0677311442 -0.17947890999 Dy P 1358.7955712 -0.54124273749E-03 314.30076974 -0.38199599919E-02 96.833600236 -0.11659520370E-01 26.794921343 -0.71362166970E-01 16.402756832 0.24160993997 3.7814596949 -0.26927863007 Dy P 1.5508876090 1.0000000 Dy P 0.70008700696 1.0000000 Dy P 0.30001063837 1.0000000 Dy P 0.93510529355E-01 1.0000000 Dy P 0.32387494996E-01 1.0000000 Dy D 409.80320000 0.10460000000E-02 123.71040000 0.84480000000E-02 47.097600000 0.33945000000E-01 20.120200000 0.63313000000E-01 8.1571000000 0.31054200000 4.1474000000 0.44327600000 Dy D 2.0825000000 1.0000000 Dy D 0.99980000000 1.0000000 Dy D 0.32020000000 1.0000000 Dy D 0.91300000000E-01 1.0000000 Dy F 129.62740000 0.52520000000E-02 47.172700000 0.48490000000E-01 21.158600000 0.15475200000 9.6381000000 0.28117000000 4.3953000000 0.35382800000 Dy F 1.9426000000 1.0000000 Dy F 0.79800000000 1.0000000 Dy F 0.28660000000 1.0000000 Dy G 0.47820000000 1.0000000 #BASIS SET: (14s,14p,10d,8f,1g) -> [10s,7p,5d,4f,1g] Ho S 86373.955000 0.78000000000E-04 13014.200000 0.58800000000E-03 2974.2417000 0.28010000000E-02 840.77100000 0.83640000000E-02 258.12230000 0.13419000000E-01 Ho S 49.764800000 1.0000000 Ho S 35.546300000 1.0000000 Ho S 18.129000000 1.0000000 Ho S 4.4456000000 1.0000000 Ho S 2.2170000000 1.0000000 Ho S 0.83290000000 1.0000000 Ho S 0.35440000000 1.0000000 Ho S 0.59700000000E-01 1.0000000 Ho S 0.24400000000E-01 1.0000000 Ho P 11.734112679 -0.12903589462 5.7259586736 -0.22875008481 2.1474251528 -0.17724151732 Ho P 1332.9863082 -0.69886752830E-03 314.40687931 -0.47443415377E-02 97.911719435 -0.14164711110E-01 27.909961603 -0.67658927355E-01 16.545097311 0.23908917082 3.9331568107 -0.28419452937 Ho P 1.9836134634 1.0000000 Ho P 0.84599263880 1.0000000 Ho P 0.35904662823 1.0000000 Ho P 0.12780582053 1.0000000 Ho P 0.38623978525E-01 1.0000000 Ho D 454.44040000 0.10650000000E-02 137.41230000 0.87540000000E-02 52.693600000 0.35896000000E-01 22.603700000 0.76848000000E-01 8.7808000000 0.29227300000 4.3752000000 0.45709200000 Ho D 2.1022000000 1.0000000 Ho D 0.90730000000 1.0000000 Ho D 0.31720000000 1.0000000 Ho D 0.97500000000E-01 1.0000000 Ho F 136.46780000 0.52300000000E-02 49.569200000 0.48449000000E-01 22.247100000 0.15620800000 10.135900000 0.28238400000 4.6186000000 0.35388100000 Ho F 2.0375000000 1.0000000 Ho F 0.83430000000 1.0000000 Ho F 0.29790000000 1.0000000 Ho G 0.49850000000 1.0000000 #BASIS SET: (14s,15p,10d,8f,1g) -> [10s,8p,5d,4f,1g] Er S 89904.835000 0.63000000000E-04 13532.874000 0.47300000000E-03 3087.3042000 0.22540000000E-02 870.18760000 0.67060000000E-02 263.42620000 0.10882000000E-01 Er S 52.414100000 1.0000000 Er S 37.438700000 1.0000000 Er S 18.930000000 1.0000000 Er S 4.6293000000 1.0000000 Er S 2.3028000000 1.0000000 Er S 0.86460000000 1.0000000 Er S 0.36610000000 1.0000000 Er S 0.60500000000E-01 1.0000000 Er S 0.24700000000E-01 1.0000000 Er P 11.957197000 -0.14606300000 6.1128678000 -0.21361997000 2.3709039000 -0.17725088000 Er P 1313.7192000 -0.85085703000E-03 317.62634000 -0.56332121000E-02 100.72062000 -0.15928060000E-01 31.085412000 -0.56267936000E-01 16.701242000 0.23405579000 4.4544611000 -0.30821909000 Er P 2.6407536000 1.0000000 Er P 1.0370364000 1.0000000 Er P 0.44469224000 1.0000000 Er P 0.17406437000 1.0000000 Er P 0.68583626885E-01 1.0000000 Er P 0.26118405217E-01 1.0000000 Er D 456.00080000 0.14180000000E-02 138.15230000 0.11586000000E-01 53.204400000 0.46849000000E-01 22.681500000 0.10408300000 8.9971000000 0.28843400000 4.4298000000 0.44983300000 Er D 2.1154000000 1.0000000 Er D 0.90920000000 1.0000000 Er D 0.31100000000 1.0000000 Er D 0.93300000000E-01 1.0000000 Er F 137.95750000 0.52180000000E-02 49.673200000 0.48047000000E-01 22.275400000 0.16363400000 10.212300000 0.28948300000 4.6589000000 0.35374200000 Er F 2.0551000000 1.0000000 Er F 0.84060000000 1.0000000 Er F 0.29960000000 1.0000000 Er G 0.50180000000 1.0000000 #BASIS SET: (14s,15p,10d,8f,1g) -> [10s,8p,5d,4f,1g] Tm S 91965.741000 0.56000000000E-04 13821.718000 0.42000000000E-03 3143.9393000 0.20100000000E-02 882.03480000 0.59310000000E-02 261.83820000 0.96710000000E-02 Tm S 55.310800000 1.0000000 Tm S 39.507700000 1.0000000 Tm S 19.625100000 1.0000000 Tm S 4.8195000000 1.0000000 Tm S 2.3954000000 1.0000000 Tm S 0.89260000000 1.0000000 Tm S 0.37650000000 1.0000000 Tm S 0.61500000000E-01 1.0000000 Tm S 0.25000000000E-01 1.0000000 Tm P 11.991772000 -0.15251673000 9.8698236000 -0.20311556000 2.0053929000 -0.19621836000 Tm P 1416.2116000 -0.95591407000E-03 364.66774000 -0.55852573000E-02 124.32162000 -0.16181718000E-01 42.452195000 -0.36559868000E-01 14.730545000 0.23712942000 5.4481245000 -0.30572341000 Tm P 3.5694494000 1.0000000 Tm P 1.3379669000 1.0000000 Tm P 0.57929408000 1.0000000 Tm P 0.23696110000 1.0000000 Tm P 0.76512597103E-01 1.0000000 Tm P 0.28346699677E-01 1.0000000 Tm D 462.75630000 0.15900000000E-02 140.26880000 0.12892000000E-01 54.038900000 0.51416000000E-01 22.993700000 0.11270300000 9.1744000000 0.29479100000 4.4985000000 0.44636800000 Tm D 2.1434000000 1.0000000 Tm D 0.91950000000 1.0000000 Tm D 0.31310000000 1.0000000 Tm D 0.93400000000E-01 1.0000000 Tm F 139.45920000 0.59800000000E-02 50.468800000 0.53736000000E-01 22.646900000 0.17238700000 10.346700000 0.29555200000 4.7136000000 0.35243800000 Tm F 2.0773000000 1.0000000 Tm F 0.84900000000 1.0000000 Tm F 0.30230000000 1.0000000 Tm G 0.50660000000 1.0000000 #BASIS SET: (14s,15p,10d,8f,1g) -> [10s,8p,5d,4f,1g] Yb S 91972.903000 0.51000000000E-04 13787.371000 0.38600000000E-03 3123.6135000 0.18440000000E-02 871.47540000 0.53560000000E-02 250.46300000 0.88590000000E-02 Yb S 58.282700000 1.0000000 Yb S 41.630500000 1.0000000 Yb S 20.216400000 1.0000000 Yb S 4.9972000000 1.0000000 Yb S 2.4822000000 1.0000000 Yb S 0.91790000000 1.0000000 Yb S 0.38530000000 1.0000000 Yb S 0.61400000000E-01 1.0000000 Yb S 0.25000000000E-01 1.0000000 Yb P 12.274108000 -0.15252141000 10.695631000 -0.20243492000 2.0359782000 -0.19621046000 Yb P 1497.5567000 -0.10182934000E-02 375.04101000 -0.60919401000E-02 128.69727000 -0.17077693000E-01 45.270759000 -0.35655508000E-01 14.906971000 0.23732226000 5.6450858000 -0.30559689000 Yb P 3.6752106000 1.0000000 Yb P 1.3296961000 1.0000000 Yb P 0.55338966000 1.0000000 Yb P 0.22382350000 1.0000000 Yb P 0.68350467650E-01 1.0000000 Yb P 0.25355670803E-01 1.0000000 Yb D 469.76060000 0.19840000000E-02 142.61280000 0.16013000000E-01 55.126700000 0.63153000000E-01 23.441500000 0.13780000000 9.4951000000 0.28549800000 4.5792000000 0.43830900000 Yb D 2.1646000000 1.0000000 Yb D 0.92380000000 1.0000000 Yb D 0.31070000000 1.0000000 Yb D 0.91400000000E-01 1.0000000 Yb F 142.02930000 0.59570000000E-02 51.086200000 0.53180000000E-01 22.874100000 0.17807600000 10.502500000 0.30060000000 4.7872000000 0.35034200000 Yb F 2.1088000000 1.0000000 Yb F 0.86090000000 1.0000000 Yb F 0.30600000000 1.0000000 Yb G 0.51330000000 1.0000000 #BASIS SET: (14s,15p,10d,8f,1g) -> [10s,8p,5d,4f,1g] Lu S 95169.767000 0.22000000000E-04 15488.403000 0.14500000000E-03 3776.2335000 0.65100000000E-03 1079.0501000 0.20380000000E-02 268.95380000 0.51270000000E-02 Lu S 63.467900000 1.0000000 Lu S 45.133200000 1.0000000 Lu S 21.456800000 1.0000000 Lu S 5.3483000000 1.0000000 Lu S 2.6778000000 1.0000000 Lu S 1.0287000000 1.0000000 Lu S 0.44080000000 1.0000000 Lu S 0.79100000000E-01 1.0000000 Lu S 0.31300000000E-01 1.0000000 Lu P 12.333733920 -0.15313031066 11.080331415 -0.20300664852 2.0341747228 -0.19458361263 Lu P 1500.5317313 -0.10192569555E-02 382.39748937 -0.59476212135E-02 132.99969628 -0.16265160929E-01 46.110032419 -0.35623845839E-01 15.583529011 0.23709171074 5.7856677022 -0.30670977844 Lu P 3.7823361008 1.0000000 Lu P 1.3682592248 1.0000000 Lu P 0.57288205601 1.0000000 Lu P 0.22793165135 1.0000000 Lu P 0.81403917986E-01 1.0000000 Lu P 0.29091071778E-01 1.0000000 Lu D 484.52750000 0.22860000000E-02 146.66550000 0.18629000000E-01 56.377900000 0.74088000000E-01 23.671100000 0.16155400000 9.4401000000 0.30809100000 4.3712000000 0.44833400000 Lu D 1.9580000000 1.0000000 Lu D 0.72720000000 1.0000000 Lu D 0.24600000000 1.0000000 Lu D 0.74400000000E-01 1.0000000 Lu F 175.15590000 0.41020000000E-02 62.890900000 0.39086000000E-01 28.362400000 0.14704400000 13.247800000 0.27109200000 6.1440000000 0.34566500000 Lu F 2.7623000000 1.0000000 Lu F 1.1574000000 1.0000000 Lu F 0.42440000000 1.0000000 Lu G 0.70090000000 1.0000000 #BASIS SET: (9s,7p,5d,1f) -> [6s,4p,3d,1f] Hf S 24.000000000 0.19369448644 16.000000000 -3.5064630782 14.400000000 4.3082581000 10.304504667 -0.91045809742 Hf S 3.8426510824 1.0000000 Hf S 0.93296029049 1.0000000 Hf S 0.42615320942 1.0000000 Hf S 0.93366560195E-01 1.0000000 Hf S 0.35532895141E-01 1.0000000 Hf P 17.000000000 -0.30316491880E-01 11.738072097 0.10139279686 4.9203967161 -0.28227924657 1.1251726138 0.52032008501 Hf P 0.54220114055 1.0000000 Hf P 0.25659447877 1.0000000 Hf P 0.06500000000 1.0000000 Hf D 3.9820623229 -0.42446023944E-01 1.3077987772 0.18409232564 0.53272310298 0.41484423516 Hf D 0.20564954488 1.0000000 Hf D 0.73099858787E-01 1.0000000 Hf F 0.3154700 1.0000000 #BASIS SET: (9s,7p,5d,1f) -> [6s,4p,3d,1f] Ta S 24.473650944 0.20590322488 18.721372549 -0.74670795514 11.500000000 3.4071363897 10.350000000 -2.8175487609 Ta S 3.8436180089 1.0000000 Ta S 1.0202266016 1.0000000 Ta S 0.46774781869 1.0000000 Ta S 0.10323186670 1.0000000 Ta S 0.38674461203E-01 1.0000000 Ta P 17.000000000 -0.32577305616E-01 12.008186536 0.10336287365 5.0278760583 -0.28526521696 1.1937124184 0.51790141155 Ta P 0.57889707053 1.0000000 Ta P 0.27225198801 1.0000000 Ta P 0.06500000000 1.0000000 Ta D 3.9738796278 -0.52799310714E-01 1.4528884813 0.18558319471 0.61042908544 0.42959071631 Ta D 0.24216276510 1.0000000 Ta D 0.87909318337E-01 1.0000000 Ta F 0.3738600 1.0000000 #BASIS SET: (8s,7p,6d,1f) -> [6s,4p,3d,1f] W S 30.000000000 0.32246483410 27.000000000 -0.46692257214 13.078045684 0.42699563776 W S 4.8100449717 1.0000000 W S 0.98497804263 1.0000000 W S 0.44910485344 1.0000000 W S 0.11448352920 1.0000000 W S 0.41720421956E-01 1.0000000 W P 17.000000000 -0.37817768433E-01 12.431973432 0.10905673845 5.1586217658 -0.29399955020 1.2801454812 0.51560726697 W P 0.62856790898 1.0000000 W P 0.29380423553 1.0000000 W P 0.06500000000 1.0000000 W D 7.4064737315 0.86993963018E-01 5.9026268603 -0.17667540011 1.2984756750 0.55145697030 0.57153508541 0.95313596535 W D 0.23845526606 1.0000000 W D 0.91144267331E-01 1.0000000 W F 0.4319900 1.0000000 #BASIS SET: (8s,7p,6d,1f) -> [6s,4p,3d,1f] Re S 30.000000000 0.31780717811 27.000000000 -0.46492321332 13.078045684 0.45723641305 Re S 5.0352712861 1.0000000 Re S 1.0482706438 1.0000000 Re S 0.47708773413 1.0000000 Re S 0.12225857255 1.0000000 Re S 0.44007400609E-01 1.0000000 Re P 18.000000000 -0.26890962397E-01 12.318606250 0.99711498502E-01 5.3719234505 -0.29289398145 1.3506646748 0.51466301434 Re P 0.66212816808 1.0000000 Re P 0.31071385193 1.0000000 Re P 0.07000000000 1.0000000 Re D 7.7352877672 0.83901798556E-01 6.0949443610 -0.17722258734 1.3871105497 0.55238259692 0.62324027854 0.91980111239 Re D 0.26517328547 1.0000000 Re D 0.10321096849 1.0000000 Re F 0.4898900 1.0000000 #BASIS SET: (8s,7p,6d,1f) -> [6s,4p,3d,1f] Os S 30.000000000 0.32213004804 27.000000000 -0.47922918137 13.524730005 0.47465946837 Os S 5.2402883472 1.0000000 Os S 1.1306661245 1.0000000 Os S 0.51689966917 1.0000000 Os S 0.13222953545 1.0000000 Os S 0.47220318801E-01 1.0000000 Os P 15.500000000 0.16016463376 14.000000000 -0.23201520402 5.5458290420 0.29772587274 1.4139502215 -0.54253238176 Os P 0.68136686765 1.0000000 Os P 0.30911452647 1.0000000 Os P 0.52000000000E-01 1.0000000 Os D 8.2945059487 0.69648222110E-01 6.3060397430 -0.16444229630 1.4890109110 0.55154541033 0.67315390607 0.88461370291 Os D 0.28590805222 1.0000000 Os D 0.11058012051 1.0000000 Os F 0.5506500 1.0000000 #BASIS SET: (8s,7p,6d,1f) -> [6s,4p,3d,1f] Ir S 30.000000000 0.30797903228 27.000000000 -0.46726361781 13.961973911 0.47161003146 Ir S 5.3956977802 1.0000000 Ir S 1.2149128721 1.0000000 Ir S 0.55885743756 1.0000000 Ir S 0.14097974313 1.0000000 Ir S 0.50021924989E-01 1.0000000 Ir P 15.902664143 -0.16290720099 14.415830698 0.23483212987 5.7597608991 -0.30305337176 1.5008913108 0.55512982069 Ir P 0.72348035957 1.0000000 Ir P 0.32785980328 1.0000000 Ir P 0.56000000000E-01 1.0000000 Ir D 8.6321692504 0.75000099949E-01 6.5898192302 -0.17326965173 1.5808379663 0.55065196913 0.71827834905 0.85273641436 Ir D 0.30571851998 1.0000000 Ir D 0.11827071879 1.0000000 Ir F 0.6100800 1.0000000 #BASIS SET: (8s,7p,6d,1f) -> [6s,4p,3d,1f] Pt S 30.000000000 0.27148263900 27.000000000 -0.42226758774 14.408318564 0.44361581995 Pt S 5.5335788010 1.0000000 Pt S 1.2986438223 1.0000000 Pt S 0.58759393108 1.0000000 Pt S 0.13845587261 1.0000000 Pt S 0.49204459888E-01 1.0000000 Pt P 15.500000000 -0.15672718629 14.000000000 0.23853412989 6.1161212339 -0.31041379733 1.5715586385 0.56473525089 Pt P 0.75132510781 1.0000000 Pt P 0.33306466812 1.0000000 Pt P 0.57000000000E-01 1.0000000 Pt D 8.3207937611 0.62945798646E-01 7.4207226520 -0.90271847072E-01 1.6570410639 0.16812526416 0.73943569960 0.25045416970 Pt D 0.30510856008 1.0000000 Pt D 0.11350405268 1.0000000 Pt F 0.6681300 1.0000000 #BASIS SET: (8s,7p,6d,1f) -> [6s,4p,3d,1f] Au S 30.000000000 0.20749231108 27.000000000 -0.33267893394 14.746824331 0.38302817958 Au S 5.6017248938 1.0000000 Au S 1.3874162443 1.0000000 Au S 0.62923031957 1.0000000 Au S 0.14027517613 1.0000000 Au S 0.49379413761E-01 1.0000000 Au P 15.500000000 0.15001711880 14.000000000 -0.23609813183 6.4227368205 0.31458896948 1.6595601681 -0.57279670446 Au P 0.79402913993 1.0000000 Au P 0.35125155397 1.0000000 Au P 0.45000000000E-01 1.0000000 Au D 9.5524098656 0.40145559502E-01 7.2698886937 -0.93690906606E-01 1.7746496789 0.31746282317 0.79960541055 0.46795192483 Au D 0.33252279372 1.0000000 Au D 0.12445133105 1.0000000 Au F 0.7248200 1.0000000 #BASIS SET: (8s,8p,6d,1f) -> [6s,5p,3d,1f] Hg S 48.013786990 0.58008164912E-02 21.239875095 -0.17328165235 15.876100879 0.36416685034 Hg S 5.5180531820 1.0000000 Hg S 1.5099145479 1.0000000 Hg S 0.70683482159 1.0000000 Hg S 0.16266265576 1.0000000 Hg S 0.56960589112E-01 1.0000000 Hg P 17.500000000 -0.86457187331E-01 15.252594855 0.15327318234 6.4404715169 -0.30274955249 1.8180159920 0.54361285026 Hg P 0.90067981801 1.0000000 Hg P 0.41304540122 1.0000000 Hg P 0.11845702655 1.0000000 Hg P 0.36087619349E-01 1.0000000 Hg D 10.028197701 0.39922353165E-01 7.5920661493 -0.94774230522E-01 1.9144256118 0.31164157463 0.88641552102 0.45567078406 Hg D 0.38154235320 1.0000000 Hg D 0.14880740086 1.0000000 Hg F 0.7956900 1.0000000 #BASIS SET: (10s,9p,8d,2f) -> [6s,5p,3d,2f] Tl S 729.65038145 0.13672829828E-03 46.665548707 0.60443439951E-02 20.970448726 -0.20022066697 14.149588677 0.40801678488 Tl S 20.730134285 -0.71861135918E-01 6.1527631309 0.98057508445 Tl S 1.5757324480 1.0000000 Tl S 0.74980169458 1.0000000 Tl S 0.19536816194 1.0000000 Tl S 0.70878767298E-01 1.0000000 Tl P 15.383852616 0.61717949180 14.814929544 -0.72859235151 6.7261253658 0.40438195364 Tl P 1.9626182149 0.43157661160 1.0331857851 0.39230403853 0.53837445996 0.14007406820 Tl P 0.24446611676 1.0000000 Tl P 0.90785377260E-01 1.0000000 Tl P 0.33401321498E-01 1.0000000 Tl D 57.606819928 0.16054811114E-03 9.7368866667 0.24456562496E-01 6.9256201679 -0.69914775031E-01 2.1396230731 0.19496269490 1.0836187110 0.29731629705 0.52356298209 0.23728708102 Tl D 0.23842309375 1.0000000 Tl D 0.95000000000E-01 1.0000000 Tl F 0.9500000 1.0000000 Tl F 0.2843500 1.0000000 #BASIS SET: (10s,9p,8d,2f) -> [6s,5p,3d,2f] Pb S 591.61124370 0.22126521076E-03 46.757232559 0.56961959130E-02 20.746462696 -0.21374063831 14.610796419 0.40502620616 Pb S 20.222637612 -0.83541883299E-01 6.4767324865 0.97910892388 Pb S 1.6600600927 1.0000000 Pb S 0.80431655001 1.0000000 Pb S 0.22627039020 1.0000000 Pb S 0.84014530665E-01 1.0000000 Pb P 15.189102118 0.61952303583 14.693144415 -0.72498497086 6.8705890048 0.37680007984 Pb P 2.2021426123 0.40196284806 1.2209125119 0.46058131862 0.63367559815 0.19367655397 Pb P 0.28202837058 1.0000000 Pb P 0.11333375666 1.0000000 Pb P 0.43948707430E-01 1.0000000 Pb D 61.315369628 0.33870800787E-03 12.372195840 0.13788683942E-01 6.9254944983 -0.75979608103E-01 2.3319539939 0.28113784298 1.2108730003 0.44474512269 0.60090478506 0.35326874351 Pb D 0.28135869813 1.0000000 Pb D 0.11500000000 1.0000000 Pb F 1.0000000 1.0000000 Pb F 0.2896200 1.0000000 #BASIS SET: (10s,9p,8d,2f) -> [6s,5p,3d,2f] Bi S 716.41435310 0.31254307133E-03 83.806059047 0.17624768946E-02 21.116962853 -0.21910983437 15.491448187 0.40411224931 Bi S 23.239855029 -0.68255758685E-01 6.6474255000 0.97888046471 Bi S 1.7617744005 1.0000000 Bi S 0.87252866000 1.0000000 Bi S 0.25618895997 1.0000000 Bi S 0.97073913006E-01 1.0000000 Bi P 15.249644669 0.74560356000 14.846176053 -0.85578637338 7.0636826784 0.40149159592 Bi P 2.5881255616 0.35542729633 1.5020208499 0.63976991890 0.76732724388 0.32332773839 Bi P 0.32797648982 1.0000000 Bi P 0.13820335991 1.0000000 Bi P 0.55137330969E-01 1.0000000 Bi D 66.404481948 0.38102878348E-03 13.858426961 0.10746152442E-01 7.0654519000 -0.71947646845E-01 2.5252144035 0.26195974989 1.3419585000 0.42594750000 0.68340941000 0.33680325627 Bi D 0.32934755420 1.0000000 Bi D 0.14000000000 1.0000000 Bi F 1.0500000 1.0000000 Bi F 0.3127100 1.0000000 #BASIS SET: (11s,10p,8d,2f) -> [6s,5p,3d,2f] Po S 6744.8211765 0.76891556363E-04 744.41892532 0.71284827354E-03 131.04029309 0.22057583958E-02 19.662021030 -0.64364713744 16.623025609 0.91997150546 Po S 23.094002965 -0.70404410177E-01 6.9707398381 0.97886540086 Po S 1.8497377593 1.0000000 Po S 0.93082999263 1.0000000 Po S 0.28673026462 1.0000000 Po S 0.10979212169 1.0000000 Po P 253.99024497 0.83876362116E-04 9.8712718748 0.24572710458 7.4489893496 -0.44297763661 Po P 8.9027395407 -0.13798250445 5.7414667465 0.26304005326 1.9896329823 0.66225846161 0.94703210822 0.39547051892 Po P 0.37071136280 1.0000000 Po P 0.15554706086 1.0000000 Po P 0.61173720818E-01 1.0000000 Po D 67.943077046 0.48919125336E-03 14.914219894 0.10157120776E-01 7.2973948305 -0.69943263066E-01 2.6826784400 0.26244730680 1.4374143009 0.42702361494 0.73903797417 0.32502435477 Po D 0.35838153281 1.0000000 Po D 0.15000000000 1.0000000 Po F 1.4000000 1.0000000 Po F 0.3327500 1.0000000 #BASIS SET: (11s,10p,8d,2f) -> [6s,5p,3d,2f] At S 3635.9809356 0.12571463494E-03 537.64129823 0.75950883820E-03 91.600030756 0.25790982348E-02 20.200005804 -0.54772187699 16.893873824 0.78417507786 At S 18.177216938 -0.13023627002 7.2317852082 0.96473566747 At S 1.9496199739 1.0000000 At S 0.99226695236 1.0000000 At S 0.31957178881 1.0000000 At S 0.12342539809 1.0000000 At P 216.81518928 0.16975297090E-03 10.592298115 0.22683755793 7.4596585430 -0.47336848377 At P 8.9484156471 -0.15012953475 5.9694592464 0.27048141788 2.1099088209 0.63671217722 1.0236370373 0.38057472615 At P 0.42186356565 1.0000000 At P 0.17757132268 1.0000000 At P 0.69670886939E-01 1.0000000 At D 70.619633393 0.59974022914E-03 16.212096478 0.93445952839E-02 7.3607401479 -0.70748413897E-01 2.9309052592 0.24037366077 1.6085414823 0.41841372624 0.84194162715 0.32832651044 At D 0.41335677957 1.0000000 At D 0.17400000000 1.0000000 At F 1.8000000 1.0000000 At F 0.3740800 1.0000000 #BASIS SET: (11s,10p,8d,2f) -> [6s,5p,3d,2f] Rn S 5187.7442468 0.16097034848E-03 768.14491207 0.10508214789E-02 159.35182065 0.27375438093E-02 21.863432724 -0.55045904905 18.388689978 0.78321373922 Rn S 24.816226448 -0.82636797204E-01 7.2923301677 1.0926256000 Rn S 2.0850437166 1.0000000 Rn S 1.0915245945 1.0000000 Rn S 0.34915708428 1.0000000 Rn S 0.13648422952 1.0000000 Rn P 194.68918723 0.26265814046E-03 11.210013525 0.19952302621 7.5298316489 -0.45994479561 Rn P 9.0845000304 -0.23093917426 6.2631489717 0.39747614192 2.2545193734 0.83026693838 1.1180666918 0.51467013112 Rn P 0.47444492594 1.0000000 Rn P 0.20172354616 1.0000000 Rn P 0.79503144392E-01 1.0000000 Rn D 75.302723665 0.73590238429E-03 17.965913830 0.89490827389E-02 7.3741298033 -0.76641663693E-01 3.2296258578 0.22975404602 1.7937840508 0.43991495311 0.94633319732 0.35259395198 Rn D 0.46860482223 1.0000000 Rn D 0.20000000000 1.0000000 Rn F 2.1000000 1.0000000 Rn F 0.4180600 1.0000000 END ECP Rb nelec 28 Rb ul 2 3.8431140 -12.3169000 Rb S 2 5.0365510 89.5001980 2 1.9708490 0.4937610 2 3.8431140 12.3169000 Rb P 2 4.2583410 58.5689740 2 1.4707090 0.4317910 2 3.8431140 12.3169000 Rb D 2 3.0231270 26.2248980 2 0.6503830 0.9628390 2 3.8431140 12.3169000 Sr nelec 28 Sr ul 2 4.6339750 -15.8059920 Sr S 2 7.4000740 135.4794300 2 3.6063790 17.5344630 2 4.6339750 15.8059920 Sr P 2 6.4848680 88.3597090 2 3.2880530 15.3943720 2 4.6339750 15.8059920 Sr D 2 4.6228410 29.8889870 2 2.2469040 6.6594140 2 4.6339750 15.8059920 Y nelec 28 Y ul 2 6.5842120 -19.12219811 2 3.2921060 -2.43637543 Y S 2 7.4880494 135.15384412 2 3.7440247 15.55244130 2 6.5842120 19.12219811 2 3.2921060 2.43637543 Y P 2 6.4453772 87.78499167 2 3.2226886 11.56406599 2 6.5842120 19.12219811 2 3.2921060 2.43637543 Y D 2 4.6584472 29.70100072 2 2.3292236 5.53996847 2 6.5842120 19.12219811 2 3.2921060 2.43637543 Zr nelec 28 Zr ul 2 7.5400000 -21.09377605 2 3.7700000 -3.08069427 Zr S 2 8.2000000 150.26759106 2 4.0897278 18.97621650 2 7.5400000 21.09377605 2 3.7700000 3.08069427 Zr P 2 7.1100000 99.62212372 2 3.5967980 14.16873329 2 7.5400000 21.09377605 2 3.7700000 3.08069427 Zr D 2 5.3500000 35.04512355 2 2.4918215 6.11125948 2 7.5400000 21.09377605 2 3.7700000 3.08069427 Nb nelec 28 Nb ul 2 8.4900000 -22.92954996 2 4.2500000 -3.66630986 Nb S 2 8.9000000 165.17914349 2 4.4300000 21.99297437 2 8.4900000 22.92954996 2 4.2500000 3.66630986 Nb P 2 7.7700000 111.79441445 2 3.9600000 16.63348326 2 8.4900000 22.92954996 2 4.2500000 3.66630986 Nb D 2 6.0500000 38.11224880 2 2.8400000 8.03916727 2 8.4900000 22.92954996 2 4.2500000 3.66630986 Mo nelec 28 Mo ul 2 9.4500000 -24.80517707 2 4.7200000 -4.15378155 Mo S 2 9.7145938 180.10310850 2 4.6805004 24.99722791 2 9.4500000 24.80517707 2 4.7200000 4.15378155 Mo P 2 8.1421366 123.77275231 2 4.6259863 19.53022800 2 9.4500000 24.80517707 2 4.7200000 4.15378155 Mo D 2 6.6184148 48.37502229 2 3.2487516 8.89205274 2 9.4500000 24.80517707 2 4.7200000 4.15378155 Tc nelec 28 Tc ul 2 10.4000000 -26.56244747 2 5.2000000 -4.58568054 Tc S 2 10.4223462 195.15916591 2 5.0365160 28.09260333 2 10.4000000 26.56244747 2 5.2000000 4.58568054 Tc P 2 8.9504494 135.28456622 2 4.8544394 21.80650430 2 10.4000000 26.56244747 2 5.2000000 4.58568054 Tc D 2 6.9456968 54.32972942 2 3.9705849 11.15506795 2 10.4000000 26.56244747 2 5.2000000 4.58568054 Ru nelec 28 Ru ul 2 11.3600000 -28.34061627 2 5.6800000 -4.94462923 Ru S 2 11.1052693 209.82297122 2 5.4147454 30.65472642 2 11.3600000 28.34061627 2 5.6800000 4.94462923 Ru P 2 9.7712707 146.33618228 2 5.0739908 24.12787723 2 11.3600000 28.34061627 2 5.6800000 4.94462923 Ru D 2 7.6714231 67.51589667 2 4.1365647 9.87010415 2 11.3600000 28.34061627 2 5.6800000 4.94462923 Rh nelec 28 Rh ul 2 12.3100000 -30.09345572 2 6.1600000 -5.21848192 Rh S 2 11.7200000 225.34775353 2 5.8200000 32.82318898 2 12.3100000 30.09345572 2 6.1600000 5.21848192 Rh P 2 10.4200000 158.70941159 2 5.4500000 26.44410049 2 12.3100000 30.09345572 2 6.1600000 5.21848192 Rh D 2 8.8200000 62.75862572 2 3.8700000 10.97871947 2 12.3100000 30.09345572 2 6.1600000 5.21848192 Pd nelec 28 Pd ul 2 13.2700000 -31.92955431 2 6.6300000 -5.39821694 Pd S 2 12.4300000 240.22904033 2 6.1707594 35.17194347 2 13.2700000 31.92955431 2 6.6300000 5.39821694 Pd P 2 11.0800000 170.41727605 2 5.8295541 28.47213287 2 13.2700000 31.92955431 2 6.6300000 5.39821694 Pd D 2 9.5100000 69.01384488 2 4.1397811 11.75086158 2 13.2700000 31.92955431 2 6.6300000 5.39821694 Ag nelec 28 Ag ul 2 14.2200000 -33.68992012 2 7.1100000 -5.53112021 Ag S 2 13.1300000 255.13936452 2 6.5100000 36.86612154 2 14.2200000 33.68992012 2 7.1100000 5.53112021 Ag P 2 11.7400000 182.18186871 2 6.2000000 30.35775148 2 14.2200000 33.68992012 2 7.1100000 5.53112021 Ag D 2 10.2100000 73.71926087 2 4.3800000 12.50211712 2 14.2200000 33.68992012 2 7.1100000 5.53112021 Cd nelec 28 Cd ul 2 15.1847957 -35.47662555 2 7.5923978 -5.61767685 Cd S 2 13.8358689 270.00948324 2 6.8572704 38.76730798 2 15.1847957 35.47662555 2 7.5923978 5.61767685 Cd P 2 12.4049710 193.82962939 2 6.5677995 31.89652523 2 15.1847957 35.47662555 2 7.5923978 5.61767685 Cd D 2 10.8969253 79.19364700 2 4.6411649 13.23082674 2 15.1847957 35.47662555 2 7.5923978 5.61767685 In nelec 28 In ul 2 12.53905600 -13.72807800 2 12.55256100 -18.20686600 In S 2 15.39282200 281.12235000 2 8.05586400 61.90147000 2 12.53905600 13.72807800 2 12.55256100 18.20686600 In P 2 13.92867200 67.46215400 2 13.34723400 134.94925000 2 7.61413200 14.74614000 2 7.31836500 29.63926200 2 12.53905600 13.72807800 2 12.55256100 18.20686600 In D 2 14.03471500 35.49325400 2 14.51161600 53.17877300 2 5.55055000 9.17728100 2 5.05941500 12.39241000 2 12.53905600 13.72807800 2 12.55256100 18.20686600 Sn nelec 28 Sn ul 2 12.28234800 -12.57633300 2 12.27215000 -16.59594400 Sn S 2 17.42041400 279.98868200 2 7.63115500 62.37781000 2 12.28234800 12.57633300 2 12.27215000 16.59594400 Sn P 2 16.13102400 66.16252300 2 15.62807700 132.17439600 2 7.32560800 16.33941700 2 6.94251900 32.48895900 2 12.28234800 12.57633300 2 12.27215000 16.59594400 Sn D 2 15.51497600 36.38744100 2 15.18816000 54.50784100 2 5.45602400 8.69682300 2 5.36310500 12.84020800 2 12.28234800 12.57633300 2 12.27215000 16.59594400 Sb nelec 28 Sb ul 2 14.44497800 -15.36680100 2 14.44929500 -20.29613800 Sb S 2 16.33086500 281.07158100 2 8.55654200 61.71660400 2 14.44497800 15.36680100 2 14.44929500 20.29613800 Sb P 2 14.47033700 67.45738000 2 13.81619400 134.93350300 2 8.42492400 14.71634400 2 8.09272800 29.51851200 2 14.44497800 15.36680100 2 14.44929500 20.29613800 Sb D 2 14.88633100 35.44781500 2 15.14631900 53.14346600 2 5.90826700 9.17922300 2 5.59432200 13.24025300 2 14.44497800 15.36680100 2 14.44929500 20.29613800 Te nelec 28 Te ul 2 15.20616800 -15.74545000 2 15.20170200 -20.74244800 Te S 2 16.81447300 281.04584300 2 8.79352600 61.62065600 2 15.20616800 15.74545000 2 15.20170200 20.74244800 Te P 2 14.87780100 67.44946400 2 14.26973100 134.90430400 2 8.72443500 14.68954700 2 8.29151500 29.41506300 2 15.20616800 15.74545000 2 15.20170200 20.74244800 Te D 2 15.20500800 35.43205700 2 15.22584800 53.13568700 2 6.07176900 9.06980200 2 5.80476000 13.12230400 2 15.20616800 15.74545000 2 15.20170200 20.74244800 I nelec 28 I ul 2 19.45860900 -21.84204000 2 19.34926000 -28.46819100 2 4.82376700 -0.24371300 2 4.88431500 -0.32080400 I S 2 40.01583500 49.99429300 2 17.42974700 281.02531700 2 9.00548400 61.57332600 2 19.45860900 21.84204000 2 19.34926000 28.46819100 2 4.82376700 0.24371300 2 4.88431500 0.32080400 I P 2 15.35546600 67.44284100 2 14.97183300 134.88113700 2 8.96016400 14.67505100 2 8.25909600 29.37566600 2 19.45860900 21.84204000 2 19.34926000 28.46819100 2 4.82376700 0.24371300 2 4.88431500 0.32080400 I D 2 15.06890800 35.43952900 2 14.55532200 53.17605700 2 6.71864700 9.06719500 2 6.45639300 13.20693700 2 1.19177900 0.08933500 2 1.29115700 0.05238000 2 19.45860900 21.84204000 2 19.34926000 28.46819100 2 4.82376700 0.24371300 2 4.88431500 0.32080400 Xe nelec 28 Xe ul 2 20.88155700 -23.08929500 2 20.78344300 -30.07447500 2 5.25338900 -0.28822700 2 5.36118800 -0.38692400 Xe S 2 40.00518400 49.99796200 2 17.81221400 281.01330300 2 9.30415000 61.53825500 2 20.88155700 23.08929500 2 20.78344300 30.07447500 2 5.25338900 0.28822700 2 5.36118800 0.38692400 Xe P 2 15.70177200 67.43914200 2 15.25860800 134.87471100 2 9.29218400 14.66330000 2 8.55900300 29.35473000 2 20.88155700 23.08929500 2 20.78344300 30.07447500 2 5.25338900 0.28822700 2 5.36118800 0.38692400 Xe D 2 15.18560000 35.43690800 2 14.28450000 53.19577200 2 7.12188900 9.04623200 2 6.99196300 13.22368100 2 0.62394600 0.08485300 2 0.64728400 0.04415500 2 20.88155700 23.08929500 2 20.78344300 30.07447500 2 5.25338900 0.28822700 2 5.36118800 0.38692400 Cs nelec 46 Cs ul 2 3.1232690 -28.8843090 Cs S 2 4.0797500 84.5477300 2 2.4174060 16.6541730 2 3.1232690 28.8843090 Cs P 2 5.5140800 157.0490590 2 2.1603160 26.4233070 2 3.1232690 28.8843090 Cs D 2 1.8074100 13.1727530 2 0.8581820 3.3428330 2 3.1232690 28.8843090 Ba nelec 46 Ba ul 2 3.5894650 -33.4731740 Ba S 2 9.5269860 427.8458160 2 4.4875100 204.4175300 2 3.5894650 33.4731740 Ba P 2 8.3159300 293.6058640 2 4.2922170 294.1933160 2 3.5894650 33.4731740 Ba D 2 5.9161080 112.5504020 2 2.8748420 181.7826210 2 3.5894650 33.4731740 La nelec 46 La ul 2 4.0286000 -36.0100160 La S 2 3.3099000 91.9321770 2 1.6550000 -3.7887640 2 4.0286000 36.0100160 La P 2 2.8368000 63.7594860 2 1.4184000 -0.6479580 2 4.0286000 36.0100160 La D 2 2.0213000 36.1161730 2 1.0107000 0.2191140 2 4.0286000 36.0100160 Ce nelec 28 Ce ul 2 1.00000000 0.00000000 Ce S 2 20.13782900 580.08345700 Ce P 2 15.99848200 310.30283300 Ce D 2 14.97418700 167.81394400 Ce F 2 23.40245500 -49.39022900 Ce G 2 16.57055300 -21.33187900 Pr nelec 28 Pr ul 2 1.00000000 0.00000000 Pr S 2 20.76627800 577.57312200 Pr P 2 16.07844800 295.78584600 Pr D 2 14.70508900 150.86705500 Pr F 2 23.37896900 -48.73676600 Pr G 2 17.44713800 -22.32948800 Nd nelec 28 Nd ul 2 1.00000000 0.00000000 Nd S 2 21.35226700 574.37098000 Nd P 2 16.11926500 280.94644000 Nd D 2 14.49410300 138.67062700 Nd F 2 23.18386000 -47.52266800 Nd G 2 18.34417400 -23.34458700 Pm nelec 28 Pm ul 2 1.00000000 0.00000000 Pm S 2 21.94286500 575.39574900 Pm P 2 16.55516100 281.70451400 Pm D 2 13.96030800 123.52473700 Pm F 2 24.03354600 -50.74151100 Pm G 2 19.26024500 -24.37251000 Sm nelec 28 Sm ul 2 1.00000000 0.00000000 Sm S 2 22.34447100 572.98533200 Sm P 2 16.69459000 272.35914500 Sm D 2 13.72770500 115.29390000 Sm F 2 24.05909200 -51.10839200 Sm G 2 20.19724900 -25.42188500 Eu nelec 28 Eu ul 2 1.00000000 0.00000000 Eu S 2 23.47138400 607.65933100 Eu P 2 16.77247900 264.38547600 Eu D 2 13.98134300 115.38137500 Eu F 2 23.96288800 -49.40079400 Eu G 2 21.23245800 -26.74827300 Gd nelec 28 Gd ul 2 1.00000000 0.00000000 Gd S 2 24.60215100 637.20086900 Gd P 2 16.88925000 261.68960100 Gd D 2 13.64335800 106.85653300 Gd F 2 24.12691700 -50.68359000 Gd G 2 22.13188700 -27.57963000 Tb nelec 28 Tb ul 2 1.00000000 0.00000000 Tb S 2 24.95295600 668.59715500 Tb P 2 17.61089900 266.98047500 Tb D 2 12.97600900 97.50659600 Tb F 2 24.24886900 -52.17575700 Tb G 2 23.13067200 -28.69426800 Dy nelec 28 Dy ul 2 1.00000000 0.00000000 Dy S 2 26.42958600 705.67122100 Dy P 2 17.31703400 254.86698900 Dy D 2 12.91359900 95.04518700 Dy F 2 24.90787800 -54.57409300 Dy G 2 24.14875300 -29.82827700 Ho nelec 28 Ho ul 2 1.00000000 0.00000000 Ho S 2 28.39725700 755.70313600 Ho P 2 17.43863300 253.55199800 Ho D 2 12.43421200 89.63567700 Ho F 2 25.38701000 -55.48203600 Ho G 2 25.18850100 -30.99112500 Er nelec 28 Er ul 2 1.00000000 0.00000000 Er S 2 29.79859200 800.95287600 Er P 2 18.11423700 262.01986900 Er D 2 11.36958700 80.17055200 Er F 2 21.82123300 -42.33628500 Er G 2 26.25073500 -32.18527800 Tm nelec 28 Tm ul 2 1.00000000 0.00000000 Tm S 2 31.14412200 845.51074300 Tm P 2 18.09235300 258.58523900 Tm D 2 11.46915900 80.72905900 Tm F 2 23.60554400 -48.70126600 Tm G 2 27.32978100 -33.39549600 Yb nelec 28 Yb ul 2 1.00000000 0.00000000 Yb S 2 32.42448400 891.01377700 Yb P 2 18.65623200 264.03695300 Yb D 2 10.49022200 73.92391900 Yb F 2 20.77418300 -39.59217300 Yb G 2 28.43102800 -34.63863800 Lu nelec 28 Lu ul 2 1.00000000 0.00000000 Lu S 2 35.16209700 989.99558400 Lu P 2 19.46440200 278.86565200 Lu D 2 10.00686500 71.00917800 Lu F 2 23.51793200 -47.40589000 Lu G 2 29.41223800 -35.55714600 Hf nelec 60 Hf ul 2 1.78576984 10.04672251 Hf S 2 14.76995900 1499.28471073 2 7.38497940 40.28210136 2 1.78576984 -10.04672251 Hf P 2 9.84948950 397.73300533 2 4.92474450 19.31640586 2 1.78576984 -10.04672251 Hf D 2 6.09675640 101.32980526 2 3.04837820 5.87343821 2 1.78576984 -10.04672251 Ta nelec 60 Ta ul 2 2.01788111 12.01796094 Ta S 2 14.54640770 1345.88064703 2 7.27320380 36.76680620 2 2.01788111 -12.01796094 Ta P 2 9.93556529 378.42530145 2 4.96778243 22.29309086 2 2.01788111 -12.01796094 Ta D 2 6.34737691 104.88395571 2 3.17368846 8.75584805 2 2.01788111 -12.01796094 W nelec 60 W ul 2 2.25888846 14.15257947 W S 2 14.32285640 1192.39588226 2 7.16142810 32.52293315 2 2.25888846 -14.15257947 W P 2 10.02164110 359.03196711 2 5.01082040 24.03038019 2 2.25888846 -14.15257947 W D 2 6.59799743 108.30134897 2 3.29899871 10.98252827 2 2.25888846 -14.15257947 Re nelec 60 Re ul 2 2.50865059 16.44985227 Re S 2 14.09930510 1038.95157226 2 7.04965250 29.56173830 2 2.50865059 -16.44985227 Re P 2 10.10771690 339.54350965 2 5.05385830 24.91369646 2 2.50865059 -16.44985227 Re D 2 6.84861794 111.69965275 2 3.42430897 12.62432927 2 2.50865059 -16.44985227 Os nelec 60 Os ul 2 2.76707510 18.90945701 Os S 2 13.87575390 885.40571914 2 6.93787690 25.96704014 2 2.76707510 -18.90945701 Os P 2 10.19379260 320.08390185 2 5.09689620 26.14876493 2 2.76707510 -18.90945701 Os D 2 7.09923846 115.04484313 2 3.54961923 13.62257457 2 2.76707510 -18.90945701 Ir nelec 60 Ir ul 2 3.03407192 21.53103107 Ir S 2 13.65220260 732.26919978 2 6.82610130 26.48472087 2 3.03407192 -21.53103107 Ir P 2 10.27986840 299.48947357 2 5.13993410 26.46623354 2 3.03407192 -21.53103107 Ir D 2 7.34985897 124.45759451 2 3.67492949 14.03599518 2 3.03407192 -21.53103107 Pt nelec 60 Pt ul 2 3.30956857 24.31437573 Pt S 2 13.42865130 579.22386092 2 6.71432560 29.66949062 2 3.30956857 -24.31437573 Pt P 2 10.36594420 280.86077422 2 5.18297210 26.74538204 2 3.30956857 -24.31437573 Pt D 2 7.60047949 120.39644429 2 3.80023974 15.81092058 2 3.30956857 -24.31437573 Au nelec 60 Au ul 2 4.78982000 30.49008890 2 2.39491000 5.17107381 Au S 2 13.20510000 426.84667920 2 6.60255000 37.00708285 2 4.78982000 -30.49008890 2 2.39491000 -5.17107381 Au P 2 10.45202000 261.19958038 2 5.22601000 26.96249604 2 4.78982000 -30.49008890 2 2.39491000 -5.17107381 Au D 2 7.85110000 124.79066561 2 3.92555000 16.30072573 2 4.78982000 -30.49008890 2 2.39491000 -5.17107381 Hg nelec 60 Hg ul 2 3.88579112 30.36499643 Hg S 2 12.98154870 275.73721174 2 6.49077440 49.08921249 2 3.88579112 -30.36499643 Hg P 2 10.53809580 241.54007398 2 5.26904790 27.39659081 2 3.88579112 -30.36499643 Hg D 2 8.10172051 127.86700761 2 4.05086026 16.60831151 2 3.88579112 -30.36499643 Tl nelec 60 Tl ul 2 5.62639900 15.82548800 2 5.54895200 21.10402100 2 2.87494600 2.91512700 2 2.82145100 3.89690300 Tl S 2 12.16780500 281.28466300 2 8.29490900 62.43425100 2 5.62639900 -15.82548800 2 5.54895200 -21.10402100 2 2.87494600 -2.91512700 2 2.82145100 -3.89690300 Tl P 2 7.15149200 4.63340800 2 5.17286500 9.34175600 2 9.89107200 72.29925300 2 9.00339100 144.55803700 2 5.62639900 -15.82548800 2 5.54895200 -21.10402100 2 2.87494600 -2.91512700 2 2.82145100 -3.89690300 Tl D 2 7.13021800 35.94303900 2 6.92690600 53.90959300 2 5.41757000 10.38193900 2 5.13868100 15.58382200 2 5.62639900 -15.82548800 2 5.54895200 -21.10402100 2 2.87494600 -2.91512700 2 2.82145100 -3.89690300 Pb nelec 60 Pb ul 2 3.88751200 12.20989200 2 3.81196300 16.19029100 Pb S 2 12.29630300 281.28549900 2 8.63263400 62.52021700 2 3.88751200 -12.20989200 2 3.81196300 -16.19029100 Pb P 2 10.24179000 72.27689700 2 8.92417600 144.59108300 2 6.58134200 4.75869300 2 6.25540300 9.94062100 2 3.88751200 -12.20989200 2 3.81196300 -16.19029100 Pb D 2 7.75433600 35.84850700 2 7.72028100 53.72434200 2 4.97026400 10.11525600 2 4.56378900 14.83373100 2 3.88751200 -12.20989200 2 3.81196300 -16.19029100 Bi nelec 60 Bi ul 2 4.21454600 13.71338300 2 4.13340000 18.19430800 Bi S 2 13.04309000 283.26422700 2 8.22168200 62.47195900 2 4.21454600 -13.71338300 2 4.13340000 -18.19430800 Bi P 2 10.46777700 72.00149900 2 9.11890100 144.00227700 2 6.75479100 5.00794500 2 6.25259200 9.99155000 2 4.21454600 -13.71338300 2 4.13340000 -18.19430800 Bi D 2 8.08147400 36.39625900 2 7.89059500 54.59766400 2 4.95555600 9.98429400 2 4.70455900 14.98148500 2 4.21454600 -13.71338300 2 4.13340000 -18.19430800 Po nelec 60 Po ul 2 5.01327000 17.42829500 2 4.98464000 23.38035300 2 1.32676000 0.16339200 2 1.52875800 0.32456600 Po S 2 13.27722700 283.24470600 2 8.39951800 62.39646100 2 5.01327000 -17.42829500 2 4.98464000 -23.38035300 2 1.32676000 -0.16339200 2 1.52875800 -0.32456600 Po P 2 10.66568200 71.99171600 2 9.28375300 143.97187100 2 6.87274900 4.94961500 2 6.32615000 9.74049900 2 5.01327000 -17.42829500 2 4.98464000 -23.38035300 2 1.32676000 -0.16339200 2 1.52875800 -0.32456600 Po D 2 8.21486600 36.37838300 2 8.00869600 54.56271500 2 5.05522700 9.88949900 2 4.78255300 14.69387700 2 5.01327000 -17.42829500 2 4.98464000 -23.38035300 2 1.32676000 -0.16339200 2 1.52875800 -0.32456600 At nelec 60 At ul 2 5.81216300 19.87019800 2 5.75371500 26.41645200 2 2.51347200 0.99497000 2 2.53626100 1.49070100 At S 2 30.20083200 49.95715800 2 13.61230600 283.21037100 2 8.52934000 62.28105200 2 5.81216300 -19.87019800 2 5.75371500 -26.41645200 2 2.51347200 -0.99497000 2 2.53626100 -1.49070100 At P 2 10.85406500 71.98237100 2 9.46822900 143.90353200 2 7.03111400 4.87175900 2 6.14385800 8.98305900 2 5.81216300 -19.87019800 2 5.75371500 -26.41645200 2 2.51347200 -0.99497000 2 2.53626100 -1.49070100 At D 2 8.31351500 36.36323700 2 7.99896500 54.54897000 2 5.17996600 9.77628500 2 4.94222600 14.26475500 2 5.81216300 -19.87019800 2 5.75371500 -26.41645200 2 2.51347200 -0.99497000 2 2.53626100 -1.49070100 Rn nelec 60 Rn ul 2 6.34857100 21.79729000 2 6.29594900 28.94680500 2 2.88211800 1.44736500 2 2.90804800 2.17796400 Rn S 2 30.15124200 49.96555100 2 14.52124100 283.07000000 2 8.05203800 62.00287000 2 6.34857100 -21.79729000 2 6.29594900 -28.94680500 2 2.88211800 -1.44736500 2 2.90804800 -2.17796400 Rn P 2 11.00994200 71.96911900 2 9.61762500 143.86055900 2 7.33600800 4.71476100 2 6.40625300 9.01306500 2 6.34857100 -21.79729000 2 6.29594900 -28.94680500 2 2.88211800 -1.44736500 2 2.90804800 -2.17796400 Rn D 2 8.36922000 36.36836500 2 8.11697500 54.55176100 2 5.35365600 9.63448700 2 5.09721200 14.38790200 2 6.34857100 -21.79729000 2 6.29594900 -28.94680500 2 2.88211800 -1.44736500 2 2.90804800 -2.17796400 END