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6-31g.gbf
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6-31g.gbf
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cartesian
!----------------------------------------------------------------------
! Basis Set Exchange
! Version v0.8.12
! https://www.basissetexchange.org
!----------------------------------------------------------------------
! Basis set: 6-31G
! Description: 6-31G valence double-zeta
! Role: orbital
! Version: 1 (Data from Gaussian 09/GAMESS)
!----------------------------------------------------------------------
****
H 0
S 3 1.00
0.1873113696D+02 0.3349460434D-01
0.2825394365D+01 0.2347269535D+00
0.6401216923D+00 0.8137573261D+00
S 1 1.00
0.1612777588D+00 1.0000000
****
He 0
S 3 1.00
0.3842163400D+02 0.4013973935D-01
0.5778030000D+01 0.2612460970D+00
0.1241774000D+01 0.7931846246D+00
S 1 1.00
0.2979640000D+00 1.0000000
****
Li 0
S 6 1.00
0.6424189150D+03 0.2142607810D-02
0.9679851530D+02 0.1620887150D-01
0.2209112120D+02 0.7731557250D-01
0.6201070250D+01 0.2457860520D+00
0.1935117680D+01 0.4701890040D+00
0.6367357890D+00 0.3454708450D+00
SP 3 1.00
0.2324918408D+01 -0.3509174574D-01 0.8941508043D-02
0.6324303556D+00 -0.1912328431D+00 0.1410094640D+00
0.7905343475D-01 0.1083987795D+01 0.9453636953D+00
SP 1 1.00
0.3596197175D-01 0.1000000000D+01 0.1000000000D+01
****
Be 0
S 6 1.00
0.1264585690D+04 0.1944757590D-02
0.1899368060D+03 0.1483505200D-01
0.4315908900D+02 0.7209054629D-01
0.1209866270D+02 0.2371541500D+00
0.3806323220D+01 0.4691986519D+00
0.1272890300D+01 0.3565202279D+00
SP 3 1.00
0.3196463098D+01 -0.1126487285D+00 0.5598019980D-01
0.7478133038D+00 -0.2295064079D+00 0.2615506110D+00
0.2199663302D+00 0.1186916764D+01 0.7939723389D+00
SP 1 1.00
0.8230990070D-01 0.1000000000D+01 0.1000000000D+01
****
B 0
S 6 1.00
0.2068882250D+04 0.1866274590D-02
0.3106495700D+03 0.1425148170D-01
0.7068303300D+02 0.6955161850D-01
0.1986108030D+02 0.2325729330D+00
0.6299304840D+01 0.4670787120D+00
0.2127026970D+01 0.3634314400D+00
SP 3 1.00
0.4727971071D+01 -0.1303937974D+00 0.7459757992D-01
0.1190337736D+01 -0.1307889514D+00 0.3078466771D+00
0.3594116829D+00 0.1130944484D+01 0.7434568342D+00
SP 1 1.00
0.1267512469D+00 0.1000000000D+01 0.1000000000D+01
****
C 0
S 6 1.00
0.3047524880D+04 0.1834737132D-02
0.4573695180D+03 0.1403732281D-01
0.1039486850D+03 0.6884262226D-01
0.2921015530D+02 0.2321844432D+00
0.9286662960D+01 0.4679413484D+00
0.3163926960D+01 0.3623119853D+00
SP 3 1.00
0.7868272350D+01 -0.1193324198D+00 0.6899906659D-01
0.1881288540D+01 -0.1608541517D+00 0.3164239610D+00
0.5442492580D+00 0.1143456438D+01 0.7443082909D+00
SP 1 1.00
0.1687144782D+00 0.1000000000D+01 0.1000000000D+01
****
N 0
S 6 1.00
0.4173511460D+04 0.1834772160D-02
0.6274579110D+03 0.1399462700D-01
0.1429020930D+03 0.6858655181D-01
0.4023432930D+02 0.2322408730D+00
0.1282021290D+02 0.4690699481D+00
0.4390437010D+01 0.3604551991D+00
SP 3 1.00
0.1162636186D+02 -0.1149611817D+00 0.6757974388D-01
0.2716279807D+01 -0.1691174786D+00 0.3239072959D+00
0.7722183966D+00 0.1145851947D+01 0.7408951398D+00
SP 1 1.00
0.2120314975D+00 0.1000000000D+01 0.1000000000D+01
****
O 0
S 6 1.00
0.5484671660D+04 0.1831074430D-02
0.8252349460D+03 0.1395017220D-01
0.1880469580D+03 0.6844507810D-01
0.5296450000D+02 0.2327143360D+00
0.1689757040D+02 0.4701928980D+00
0.5799635340D+01 0.3585208530D+00
SP 3 1.00
0.1553961625D+02 -0.1107775495D+00 0.7087426823D-01
0.3599933586D+01 -0.1480262627D+00 0.3397528391D+00
0.1013761750D+01 0.1130767015D+01 0.7271585773D+00
SP 1 1.00
0.2700058226D+00 0.1000000000D+01 0.1000000000D+01
****
F 0
S 6 1.00
0.7001713090D+04 0.1819616901D-02
0.1051366090D+04 0.1391607961D-01
0.2392856900D+03 0.6840532453D-01
0.6739744530D+02 0.2331857601D+00
0.2151995730D+02 0.4712674392D+00
0.7403101300D+01 0.3566185462D+00
SP 3 1.00
0.2084795280D+02 -0.1085069751D+00 0.7162872424D-01
0.4808308340D+01 -0.1464516581D+00 0.3459121027D+00
0.1344069860D+01 0.1128688581D+01 0.7224699564D+00
SP 1 1.00
0.3581513930D+00 0.1000000000D+01 0.1000000000D+01
****
Ne 0
S 6 1.00
0.8425851530D+04 0.1884348050D-02
0.1268519400D+04 0.1433689940D-01
0.2896214140D+03 0.7010962331D-01
0.8185900400D+02 0.2373732660D+00
0.2625150790D+02 0.4730071261D+00
0.9094720510D+01 0.3484012410D+00
SP 3 1.00
0.2653213100D+02 -0.1071182872D+00 0.7190958851D-01
0.6101755010D+01 -0.1461638213D+00 0.3495133720D+00
0.1696271530D+01 0.1127773503D+01 0.7199405121D+00
SP 1 1.00
0.4458187000D+00 0.1000000000D+01 0.1000000000D+01
****
Na 0
S 6 1.00
0.9993200000D+04 0.1937659277D-02
0.1499890000D+04 0.1480699448D-01
0.3419510000D+03 0.7270547288D-01
0.9467960000D+02 0.2526289058D+00
0.2973450000D+02 0.4932418160D+00
0.1000630000D+02 0.3131688832D+00
SP 6 1.00
0.1509630000D+03 -0.3542083504D-02 0.5001659710D-02
0.3558780000D+02 -0.4395884348D-01 0.3551089794D-01
0.1116830000D+02 -0.1097521086D+00 0.1428249917D+00
0.3902010000D+01 0.1873981854D+00 0.3386199803D+00
0.1381770000D+01 0.6466996397D+00 0.4515789738D+00
0.4663820000D+00 0.3060583027D+00 0.2732709841D+00
SP 3 1.00
0.4979660000D+00 -0.2485031593D+00 -0.2302250043D-01
0.8435290000D-01 -0.1317040844D+00 0.9503590176D+00
0.6663500000D-01 0.1233520791D+01 0.5985790111D-01
SP 1 1.00
0.2595440000D-01 0.1000000000D+01 0.1000000000D+01
****
Mg 0
S 6 1.00
0.1172280000D+05 0.1977829317D-02
0.1759930000D+04 0.1511399478D-01
0.4008460000D+03 0.7391077448D-01
0.1128070000D+03 0.2491909140D+00
0.3599970000D+02 0.4879278316D+00
0.1218280000D+02 0.3196618896D+00
SP 6 1.00
0.1891800000D+03 -0.3237170471D-02 0.4928129921D-02
0.4521190000D+02 -0.4100790597D-01 0.3498879944D-01
0.1435630000D+02 -0.1126000164D+00 0.1407249977D+00
0.5138860000D+01 0.1486330216D+00 0.3336419947D+00
0.1906520000D+01 0.6164970898D+00 0.4449399929D+00
0.7058870000D+00 0.3648290531D+00 0.2692539957D+00
SP 3 1.00
0.9293400000D+00 -0.2122908985D+00 -0.2241918123D-01
0.2690350000D+00 -0.1079854570D+00 0.1922708390D+00
0.1173790000D+00 0.1175844977D+01 0.8461802916D+00
SP 1 1.00
0.4210610000D-01 0.1000000000D+01 0.1000000000D+01
****
Al 0
S 6 1.00
0.1398310000D+05 0.1942669947D-02
0.2098750000D+04 0.1485989959D-01
0.4777050000D+03 0.7284939800D-01
0.1343600000D+03 0.2468299932D+00
0.4287090000D+02 0.4872579866D+00
0.1451890000D+02 0.3234959911D+00
SP 6 1.00
0.2396680000D+03 -0.2926190028D-02 0.4602845582D-02
0.5744190000D+02 -0.3740830036D-01 0.3319896813D-01
0.1828590000D+02 -0.1144870011D+00 0.1362818692D+00
0.6599140000D+01 0.1156350011D+00 0.3304756828D+00
0.2490490000D+01 0.6125950058D+00 0.4491455689D+00
0.9445450000D+00 0.3937990037D+00 0.2657037450D+00
SP 3 1.00
0.1277900000D+01 -0.2276069245D+00 -0.1751260189D-01
0.3975900000D+00 0.1445835873D-02 0.2445330264D+00
0.1600950000D+00 0.1092794439D+01 0.8049340867D+00
SP 1 1.00
0.5565770000D-01 0.1000000000D+01 0.1000000000D+01
****
Si 0
S 6 1.00
0.1611590000D+05 0.1959480216D-02
0.2425580000D+04 0.1492880164D-01
0.5538670000D+03 0.7284780801D-01
0.1563400000D+03 0.2461300271D+00
0.5006830000D+02 0.4859140535D+00
0.1701780000D+02 0.3250020358D+00
SP 6 1.00
0.2927180000D+03 -0.2780941415D-02 0.4438264521D-02
0.6987310000D+02 -0.3571461817D-01 0.3266793328D-01
0.2233630000D+02 -0.1149850585D+00 0.1347211372D+00
0.8150390000D+01 0.9356344760D-01 0.3286783348D+00
0.3134580000D+01 0.6030173068D+00 0.4496404580D+00
0.1225430000D+01 0.4189592131D+00 0.2613722662D+00
SP 3 1.00
0.1727380000D+01 -0.2446310042D+00 -0.1779510605D-01
0.5729220000D+00 0.4315737717D-02 0.2535390863D+00
0.2221920000D+00 0.1098184508D+01 0.8006692724D+00
SP 1 1.00
0.7783690000D-01 0.1000000000D+01 0.1000000000D+01
****
P 0
S 6 1.00
0.1941330000D+05 0.1851598923D-02
0.2909420000D+04 0.1420619174D-01
0.6613640000D+03 0.6999945928D-01
0.1857590000D+03 0.2400788603D+00
0.5919430000D+02 0.4847617180D+00
0.2003100000D+02 0.3351998050D+00
SP 6 1.00
0.3394780000D+03 -0.2782170105D-02 0.4564616191D-02
0.8101010000D+02 -0.3604990135D-01 0.3369357188D-01
0.2587800000D+02 -0.1166310044D+00 0.1397548834D+00
0.9452210000D+01 0.9683280364D-01 0.3393617168D+00
0.3665660000D+01 0.6144180231D+00 0.4509206237D+00
0.1467460000D+01 0.4037980152D+00 0.2385858009D+00
SP 3 1.00
0.2156230000D+01 -0.2529241139D+00 -0.1776531273D-01
0.7489970000D+00 0.3285184468D-01 0.2740581964D+00
0.2831450000D+00 0.1081254762D+01 0.7854215630D+00
SP 1 1.00
0.9983170000D-01 0.1000000000D+01 0.1000000000D+01
****
S 0
S 6 1.00
0.2191710000D+05 0.1869240849D-02
0.3301490000D+04 0.1423030646D-01
0.7541460000D+03 0.6969623166D-01
0.2127110000D+03 0.2384871083D+00
0.6798960000D+02 0.4833072195D+00
0.2305150000D+02 0.3380741536D+00
SP 6 1.00
0.4237350000D+03 -0.2376770499D-02 0.4061009982D-02
0.1007100000D+03 -0.3169300665D-01 0.3068129986D-01
0.3215990000D+02 -0.1133170238D+00 0.1304519994D+00
0.1180790000D+02 0.5609001177D-01 0.3272049985D+00
0.4631100000D+01 0.5922551243D+00 0.4528509980D+00
0.1870250000D+01 0.4550060955D+00 0.2560419989D+00
SP 3 1.00
0.2615840000D+01 -0.2503731142D+00 -0.1451048955D-01
0.9221670000D+00 0.6695676310D-01 0.3102627765D+00
0.3412870000D+00 0.1054506269D+01 0.7544824565D+00
SP 1 1.00
0.1171670000D+00 0.1000000000D+01 0.1000000000D+01
****
Cl 0
S 6 1.00
0.2518010000D+05 0.1832959848D-02
0.3780350000D+04 0.1403419883D-01
0.8604740000D+03 0.6909739426D-01
0.2421450000D+03 0.2374519803D+00
0.7733490000D+02 0.4830339599D+00
0.2624700000D+02 0.3398559718D+00
SP 6 1.00
0.4917650000D+03 -0.2297391417D-02 0.3989400879D-02
0.1169840000D+03 -0.3071371894D-01 0.3031770668D-01
0.3741530000D+02 -0.1125280694D+00 0.1298800286D+00
0.1378340000D+02 0.4501632776D-01 0.3279510723D+00
0.5452150000D+01 0.5893533634D+00 0.4535271000D+00
0.2225880000D+01 0.4652062868D+00 0.2521540556D+00
SP 3 1.00
0.3186490000D+01 -0.2518280280D+00 -0.1429931472D-01
0.1144270000D+01 0.6158925141D-01 0.3235723331D+00
0.4203770000D+00 0.1060184328D+01 0.7435077653D+00
SP 1 1.00
0.1426570000D+00 0.1000000000D+01 0.1000000000D+01
****
Ar 0
S 6 1.00
0.2834830000D+05 0.1825260192D-02
0.4257620000D+04 0.1396860147D-01
0.9698570000D+03 0.6870730723D-01
0.2732630000D+03 0.2362040249D+00
0.8736950000D+02 0.4822140508D+00
0.2968670000D+02 0.3420430360D+00
SP 6 1.00
0.5758910000D+03 -0.2159720895D-02 0.3806649842D-02
0.1368160000D+03 -0.2907751206D-01 0.2923049879D-01
0.4380980000D+02 -0.1108270460D+00 0.1264669948D+00
0.1620940000D+02 0.2769991148D-01 0.3235099866D+00
0.6460840000D+01 0.5776132395D+00 0.4548959811D+00
0.2651140000D+01 0.4886882026D+00 0.2566299894D+00
SP 3 1.00
0.3860280000D+01 -0.2555929604D+00 -0.1591969040D-01
0.1413730000D+01 0.3780674206D-01 0.3246458042D+00
0.5166460000D+00 0.1080564060D+01 0.7439895512D+00
SP 1 1.00
0.1738880000D+00 0.1000000000D+01 0.1000000000D+01
****
K 0
S 6 1.00
0.3159442000D+05 0.1828009922D-02
0.4744330000D+04 0.1399402940D-01
0.1080419000D+04 0.6887128707D-01
0.3042338000D+03 0.2369759899D+00
0.9724586000D+02 0.4829039794D+00
0.3302495000D+02 0.3404794855D+00
SP 6 1.00
0.6227625000D+03 -0.2502975932D-02 0.4094636754D-02
0.1478839000D+03 -0.3315549910D-01 0.3145198811D-01
0.4732735000D+02 -0.1226386967D+00 0.1351557919D+00
0.1751495000D+02 0.5353642855D-01 0.3390499796D+00
0.6922722000D+01 0.6193859832D+00 0.4629454722D+00
0.2768277000D+01 0.4345877882D+00 0.2242637865D+00
SP 6 1.00
0.1184802000D+02 0.1277689027D-01 -0.1221377161D-01
0.4079211000D+01 0.2098767044D+00 -0.6900537911D-02
0.1763481000D+01 -0.3095274065D-02 0.2007466265D+00
0.7889270000D+00 -0.5593884117D+00 0.4281332565D+00
0.3503870000D+00 -0.5134760107D+00 0.3970156524D+00
0.1463440000D+00 -0.6598035138D-01 0.1104718146D+00
SP 3 1.00
0.7168010000D+00 -0.5237766157D-01 0.3164300053D-01
0.2337410000D+00 -0.2798499878D+00 -0.4046160068D-01
0.3867500000D-01 0.1141545727D+01 0.1012029017D+01
SP 1 1.00
0.1652100000D-01 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.9029078000D+01 0.8747672000D-01
0.2285045000D+01 0.3795635000D+00
0.6638920000D+00 0.7180393000D+00
D 1 1.00
0.1793890000D+00 1.0000000
****
Ca 0
S 6 1.00
0.3526486000D+05 0.1813501124D-02
0.5295503000D+04 0.1388493095D-01
0.1206020000D+04 0.6836162469D-01
0.3396839000D+03 0.2356188162D+00
0.1086264000D+03 0.4820639331D+00
0.3692103000D+02 0.3429819235D+00
SP 6 1.00
0.7063096000D+03 0.2448225082D-02 0.4020370978D-02
0.1678187000D+03 0.3241504109D-01 0.3100600983D-01
0.5382558000D+02 0.1226219041D+00 0.1337278993D+00
0.2001638000D+02 -0.4316965145D-01 0.3367982982D+00
0.7970279000D+01 -0.6126995206D+00 0.4631280975D+00
0.3212059000D+01 -0.4487540151D+00 0.2257531988D+00
SP 6 1.00
0.1419518000D+02 0.1084500055D-01 -0.1289621138D-01
0.4880828000D+01 0.2088333107D+00 -0.1025198110D-01
0.2160390000D+01 0.3150338161D-01 0.1959781209D+00
0.9878990000D+00 -0.5526518282D+00 0.4357933466D+00
0.4495170000D+00 -0.5437997277D+00 0.3996452427D+00
0.1873870000D+00 -0.6669342340D-01 0.9713637038D-01
SP 3 1.00
0.1032271000D+01 -0.4439718086D-01 -0.4298620974D+00
0.3811710000D+00 -0.3284561584D+00 0.6935828957D-02
0.6513100000D-01 0.1163009499D+01 0.9705932940D+00
SP 1 1.00
0.2601000000D-01 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.1011067000D+02 0.8747672000D-01
0.2558769000D+01 0.3795635000D+00
0.7434200000D+00 0.7180393000D+00
D 1 1.00
0.2008780000D+00 1.0000000
****
Sc 0
S 6 1.00
0.3908898000D+05 0.1803262955D-02
0.5869792000D+04 0.1380768965D-01
0.1336910000D+04 0.6800395829D-01
0.3766031000D+03 0.2347098941D+00
0.1204679000D+03 0.4815689879D+00
0.4098032000D+02 0.3445651913D+00
SP 6 1.00
0.7862852000D+03 0.2451863032D-02 0.4039529691D-02
0.1868870000D+03 0.3259579042D-01 0.3122569761D-01
0.6000935000D+02 0.1238242016D+00 0.1349832897D+00
0.2225883000D+02 -0.4359890057D-01 0.3424792738D+00
0.8885149000D+01 -0.6177181080D+00 0.4623112646D+00
0.3609211000D+01 -0.4432823058D+00 0.2177523833D+00
SP 6 1.00
0.2984355000D+02 -0.2586302031D-02 -0.6096652719D-02
0.9542383000D+01 0.7188424085D-01 -0.2628884310D-01
0.4056790000D+01 0.2503260030D+00 0.5091001601D-01
0.1704703000D+01 -0.2991003035D+00 0.3798097448D+00
0.7062340000D+00 -0.7446818088D+00 0.5170883610D+00
0.2795360000D+00 -0.1799776021D+00 0.1829772216D+00
SP 3 1.00
0.1065609000D+01 0.6482978223D-01 -0.2938439989D+00
0.4259330000D+00 0.3253756112D+00 0.9235322967D-01
0.7632000000D-01 -0.1170806040D+01 0.9847929965D+00
SP 1 1.00
0.2959400000D-01 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.1114701000D+02 0.8747672298D-01
0.2821043000D+01 0.3795635129D+00
0.8196200000D+00 0.7180393244D+00
D 1 1.00
0.2214680000D+00 1.0000000
****
Ti 0
S 6 1.00
0.4315295000D+05 0.1791871976D-02
0.6479571000D+04 0.1372391982D-01
0.1475675000D+04 0.6762829911D-01
0.4156991000D+03 0.2337641969D+00
0.1330006000D+03 0.4810695937D+00
0.4527222000D+02 0.3462279954D+00
SP 6 1.00
0.8746826000D+03 0.2431008053D-02 0.4017679296D-02
0.2079785000D+03 0.3233027071D-01 0.3113966230D-01
0.6687918000D+02 0.1242520027D+00 0.1349077100D+00
0.2487347000D+02 -0.3903905085D-01 0.3431672253D+00
0.9968441000D+01 -0.6171789135D+00 0.4625760341D+00
0.4063826000D+01 -0.4473097098D+00 0.2154603159D+00
SP 6 1.00
0.3364363000D+02 -0.2940357957D-02 -0.6311620001D-02
0.1087565000D+02 0.7163102894D-01 -0.2697638000D-01
0.4628225000D+01 0.2528914963D+00 0.5316847001D-01
0.1950126000D+01 -0.2966400956D+00 0.3845549000D+00
0.8094520000D+00 -0.7432214890D+00 0.5127662001D+00
0.3204740000D+00 -0.1853519973D+00 0.1811135000D+00
SP 3 1.00
0.1224148000D+01 0.6351460717D-01 -0.2112070099D+00
0.4842630000D+00 0.3151401875D+00 0.7771998364D-01
0.8409600000D-01 -0.1162594216D+01 0.9898214464D+00
SP 1 1.00
0.3203600000D-01 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.1369085000D+02 0.8589417880D-01
0.3513154000D+01 0.3784670947D+00
0.1040434000D+01 0.7161238900D+00
D 1 1.00
0.2869620000D+00 1.0000000
****
V 0
S 6 1.00
0.4735433000D+05 0.1784512997D-02
0.7110787000D+04 0.1366753998D-01
0.1619591000D+04 0.6736121989D-01
0.4563379000D+03 0.2330551996D+00
0.1460606000D+03 0.4806315992D+00
0.4975791000D+02 0.3474801994D+00
SP 6 1.00
0.9681484000D+03 0.2410599011D-02 0.3995005174D-02
0.2302821000D+03 0.3207243014D-01 0.3104061135D-01
0.7414591000D+02 0.1245942006D+00 0.1347747059D+00
0.2764107000D+02 -0.3482177015D-01 0.3437279150D+00
0.1111475000D+02 -0.6167374027D+00 0.4628759202D+00
0.4543113000D+01 -0.4509844020D+00 0.2135547093D+00
SP 6 1.00
0.3764050000D+02 -0.3233199384D-02 -0.6494056098D-02
0.1228238000D+02 0.7130744847D-01 -0.2753453042D-01
0.5233366000D+01 0.2543820302D+00 0.5516284083D-01
0.2208950000D+01 -0.2933887348D+00 0.3879672059D+00
0.9178800000D+00 -0.7415695881D+00 0.5090258077D+00
0.3634120000D+00 -0.1909410227D+00 0.1803840027D+00
SP 3 1.00
0.1392781000D+01 0.6139702133D-01 -0.1891264918D+00
0.5439130000D+00 0.3061129568D+00 0.8005452654D-01
0.9147600000D-01 -0.1154889837D+01 0.9877398574D+00
SP 1 1.00
0.3431200000D-01 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.1605025000D+02 0.8599899166D-01
0.4160063000D+01 0.3802996074D+00
0.1243265000D+01 0.7127659138D+00
D 1 1.00
0.3442770000D+00 1.0000000
****
Cr 0
S 6 1.00
0.5178981000D+05 0.1776181956D-02
0.7776849000D+04 0.1360475966D-01
0.1771385000D+04 0.6706924832D-01
0.4991588000D+03 0.2323103942D+00
0.1597982000D+03 0.4802409880D+00
0.5447021000D+02 0.3487652913D+00
SP 6 1.00
0.1064328000D+04 0.2399669027D-02 0.3986996969D-02
0.2532138000D+03 0.3194886035D-01 0.3104661976D-01
0.8160924000D+02 0.1250868014D+00 0.1350517989D+00
0.3048193000D+02 -0.3221866036D-01 0.3448864973D+00
0.1229439000D+02 -0.6172284069D+00 0.4628570964D+00
0.5037722000D+01 -0.4525936050D+00 0.2110425984D+00
SP 6 1.00
0.4156291000D+02 -0.3454215978D-02 -0.6722497017D-02
0.1367627000D+02 0.7218427953D-01 -0.2806471007D-01
0.5844390000D+01 0.2544819984D+00 0.5820028015D-01
0.2471609000D+01 -0.2934533981D+00 0.3916988010D+00
0.1028308000D+01 -0.7385454952D+00 0.5047823013D+00
0.4072500000D+00 -0.1947156987D+00 0.1790290005D+00
SP 3 1.00
0.1571464000D+01 0.5892221460D-01 -0.1930100080D+00
0.6055800000D+00 0.2976056242D+00 0.9605620398D-01
0.9856100000D-01 -0.1147506479D+01 0.9817609407D+00
SP 1 1.00
0.3645900000D-01 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.1841930000D+02 0.8650816335D-01
0.4812661000D+01 0.3826699148D+00
0.1446447000D+01 0.7093772274D+00
D 1 1.00
0.4004130000D+00 1.0000000
****
Mn 0
S 6 1.00
0.5634714000D+05 0.1771579986D-02
0.8460943000D+04 0.1357080989D-01
0.1927325000D+04 0.6690604948D-01
0.5432343000D+03 0.2318540982D+00
0.1739905000D+03 0.4799045963D+00
0.5936005000D+02 0.3495736973D+00
SP 6 1.00
0.1165412000D+04 0.2388751027D-02 0.3977317926D-02
0.2773276000D+03 0.3181708036D-01 0.3103111942D-01
0.8947278000D+02 0.1254670014D+00 0.1351893975D+00
0.3348256000D+02 -0.2955431033D-01 0.3457386935D+00
0.1354037000D+02 -0.6175160070D+00 0.4629204913D+00
0.5557972000D+01 -0.4544458051D+00 0.2090591961D+00
SP 6 1.00
0.4583532000D+02 -0.3665856137D-02 -0.6887577902D-02
0.1518777000D+02 0.7231971269D-01 -0.2846815959D-01
0.6500710000D+01 0.2544486095D+00 0.6031831914D-01
0.2751583000D+01 -0.2910380108D+00 0.3938960944D+00
0.1145404000D+01 -0.7359860274D+00 0.5013768928D+00
0.4536870000D+00 -0.1997617074D+00 0.1792263974D+00
SP 3 1.00
0.1757999000D+01 0.5628573186D-01 -0.5035023825D+00
0.6670220000D+00 0.2897491610D+00 0.2345010919D+00
0.1051290000D+00 -0.1140653240D+01 0.9141256682D+00
SP 1 1.00
0.3841800000D-01 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.2094355000D+02 0.8672702314D-01
0.5510486000D+01 0.3841883139D+00
0.1665038000D+01 0.7069071256D+00
D 1 1.00
0.4617330000D+00 1.0000000
****
Fe 0
S 6 1.00
0.6113262000D+05 0.1766110976D-02
0.9179342000D+04 0.1353037982D-01
0.2090857000D+04 0.6673127910D-01
0.5892479000D+03 0.2314822969D+00
0.1887543000D+03 0.4797057935D+00
0.6444629000D+02 0.3501975953D+00
SP 6 1.00
0.1259980000D+04 0.2438014027D-02 0.4028018665D-02
0.2998761000D+03 0.3224048035D-01 0.3144646739D-01
0.9684917000D+02 0.1265724014D+00 0.1368316886D+00
0.3631020000D+02 -0.3139902035D-01 0.3487235710D+00
0.1472996000D+02 -0.6207593068D+00 0.4617930616D+00
0.6066075000D+01 -0.4502914050D+00 0.2043057830D+00
SP 6 1.00
0.5043485000D+02 -0.3873255984D-02 -0.7017127880D-02
0.1683929000D+02 0.7196597971D-01 -0.2877659951D-01
0.7192086000D+01 0.2556590990D+00 0.6181382895D-01
0.3053420000D+01 -0.2882836988D+00 0.3954945933D+00
0.1273643000D+01 -0.7342821970D+00 0.4989058915D+00
0.5040910000D+00 -0.2049352992D+00 0.1791250969D+00
SP 3 1.00
0.1950316000D+01 0.5694869031D-01 -0.4593796163D+00
0.7367210000D+00 0.2882915015D+00 0.2852139102D+00
0.1141770000D+00 -0.1138159006D+01 0.9076485323D+00
SP 1 1.00
0.4114800000D-01 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.2314994000D+02 0.8876935479D-01
0.6122368000D+01 0.3896319210D+00
0.1846601000D+01 0.7014816379D+00
D 1 1.00
0.5043610000D+00 1.0000000
****
Co 0
S 6 1.00
0.6614899000D+05 0.1759787106D-02
0.9933077000D+04 0.1348162081D-01
0.2262816000D+04 0.6649342399D-01
0.6379154000D+03 0.2307939139D+00
0.2044122000D+03 0.4792919288D+00
0.6982538000D+02 0.3514097211D+00
SP 6 1.00
0.1378841000D+04 0.2376276103D-02 0.3971488140D-02
0.3282694000D+03 0.3167450137D-01 0.3108174109D-01
0.1060946000D+03 0.1262888054D+00 0.1357439048D+00
0.3983275000D+02 -0.2584552112D-01 0.3476827122D+00
0.1618622000D+02 -0.6183491267D+00 0.4626340163D+00
0.6667788000D+01 -0.4567008197D+00 0.2051632072D+00
SP 6 1.00
0.5452355000D+02 -0.3993003860D-02 -0.7290771623D-02
0.1829783000D+02 0.7409662740D-01 -0.2926026849D-01
0.7867348000D+01 0.2541999911D+00 0.6564149661D-01
0.3340534000D+01 -0.2921656898D+00 0.4000651793D+00
0.1393756000D+01 -0.7318702744D+00 0.4950235744D+00
0.5513260000D+00 -0.2040783929D+00 0.1758239909D+00
SP 3 1.00
0.2151947000D+01 0.5379840456D-01 -0.2165495935D+00
0.8110630000D+00 0.2759969695D+00 0.1240487963D+00
0.1210170000D+00 -0.1129691466D+01 0.9724063708D+00
SP 1 1.00
0.4303700000D-01 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.2559306000D+02 0.9004748403D-01
0.6800990000D+01 0.3931703176D+00
0.2051647000D+01 0.6976844312D+00
D 1 1.00
0.5556710000D+00 1.0000000
****
Ni 0
S 6 1.00
0.7139635000D+05 0.1753002902D-02
0.1072084000D+05 0.1343121925D-01
0.2442129000D+04 0.6627040631D-01
0.6884265000D+03 0.2302507872D+00
0.2206153000D+03 0.4790185733D+00
0.7539373000D+02 0.3523443804D+00
SP 6 1.00
0.1492532000D+04 0.2370713841D-02 0.3967554145D-02
0.3554013000D+03 0.3160565787D-01 0.3109479114D-01
0.1149534000D+03 0.1266334915D+00 0.1359517050D+00
0.4322043000D+02 -0.2417036837D-01 0.3485136127D+00
0.1759710000D+02 -0.6187774584D+00 0.4625498169D+00
0.7257765000D+01 -0.4576769692D+00 0.2035186074D+00
SP 6 1.00
0.5935261000D+02 -0.4162002046D-02 -0.7421451709D-02
0.2002181000D+02 0.7425111082D-01 -0.2953409884D-01
0.8614561000D+01 0.2541360028D+00 0.6731851736D-01
0.3660531000D+01 -0.2903477032D+00 0.4016659842D+00
0.1528111000D+01 -0.7302121080D+00 0.4926622807D+00
0.6040570000D+00 -0.2076057023D+00 0.1756892931D+00
SP 3 1.00
0.2379276000D+01 0.5157890540D-01 -0.1887663036D+00
0.8858390000D+00 0.2707612333D+00 0.1015199019D+00
0.1285290000D+00 -0.1124770554D+01 0.9790906185D+00
SP 1 1.00
0.4519500000D-01 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.2819147000D+02 0.9098880504D-01
0.7523584000D+01 0.3958207784D+00
0.2271228000D+01 0.6947153621D+00
D 1 1.00
0.6116030000D+00 1.0000000
****
Cu 0
S 6 1.00
0.7679438000D+05 0.1748161083D-02
0.1153070000D+05 0.1339602064D-01
0.2626575000D+04 0.6610885315D-01
0.7404903000D+03 0.2298265110D+00
0.2373528000D+03 0.4787675228D+00
0.8115818000D+02 0.3530739168D+00
SP 6 1.00
0.1610814000D+04 0.2364054998D-02 0.3963306847D-02
0.3836367000D+03 0.3153634997D-01 0.3110222880D-01
0.1241733000D+03 0.1269451999D+00 0.1361349948D+00
0.4674678000D+02 -0.2262839998D-01 0.3492913866D+00
0.1906569000D+02 -0.6192079994D+00 0.4624779822D+00
0.7871567000D+01 -0.4585392996D+00 0.2020101922D+00
SP 6 1.00
0.6445732000D+02 -0.4331075387D-02 -0.7523724515D-02
0.2185212000D+02 0.7412307662D-01 -0.2975686808D-01
0.9405343000D+01 0.2542108227D+00 0.6849653559D-01
0.3999168000D+01 -0.2874843257D+00 0.4027140741D+00
0.1670297000D+01 -0.7291436651D+00 0.4908489684D+00
0.6596270000D+00 -0.2113951189D+00 0.1759267887D+00
SP 3 1.00
0.2600088000D+01 0.5027577003D-01 -0.1702910950D+00
0.9630940000D+00 0.2650040002D+00 0.9310132728D-01
0.1361610000D+00 -0.1120155001D+01 0.9814335714D+00
SP 1 1.00
0.4733200000D-01 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.3085341000D+02 0.9199905385D-01
0.8264985000D+01 0.3985021167D+00
0.2495332000D+01 0.6917897289D+00
D 1 1.00
0.6676580000D+00 1.0000000
****
Zn 0
S 6 1.00
0.8240094000D+05 0.1743328988D-02
0.1237255000D+05 0.1335965991D-01
0.2818351000D+04 0.6594364956D-01
0.7945717000D+03 0.2294150985D+00
0.2547232000D+03 0.4785452968D+00
0.8713880000D+02 0.3537752977D+00
SP 6 1.00
0.1732569000D+04 0.2361459089D-02 0.3963125053D-02
0.4127149000D+03 0.3150177119D-01 0.3113411042D-01
0.1336780000D+03 0.1272774048D+00 0.1363931018D+00
0.5038585000D+02 -0.2145928081D-01 0.3501266047D+00
0.2058358000D+02 -0.6197652235D+00 0.4623179062D+00
0.8505940000D+01 -0.4590180174D+00 0.2004995027D+00
SP 6 1.00
0.6936492000D+02 -0.4440098182D-02 -0.7689261805D-02
0.2362082000D+02 0.7505253308D-01 -0.2997981924D-01
0.1018471000D+02 0.2533111104D+00 0.7082410821D-01
0.4334082000D+01 -0.2881897118D+00 0.4046140897D+00
0.1810918000D+01 -0.7267052298D+00 0.4882324876D+00
0.7148410000D+00 -0.2133439088D+00 0.1751969956D+00
SP 3 1.00
0.2823842000D+01 0.4898545031D-01 -0.1586762981D+00
0.1039543000D+01 0.2592794075D+00 0.8379326898D-01
0.1432640000D+00 -0.1115711463D+01 0.9840546881D+00
SP 1 1.00
0.4929600000D-01 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.3370764000D+02 0.9262647815D-01
0.9061106000D+01 0.4002979920D+00
0.2738383000D+01 0.6896607863D+00
D 1 1.00
0.7302940000D+00 1.0000000
****
Ga 0
S 6 1.00
0.8828461000D+05 0.1736921000D-02
0.1325606000D+05 0.1331136000D-01
0.3019649000D+04 0.6571709000D-01
0.8514222000D+03 0.2287932000D+00
0.2729997000D+03 0.4781507000D+00
0.9342593000D+02 0.3549154000D+00
SP 6 1.00
0.1877680000D+04 0.2316733000D-02 0.3896102000D-02
0.4474374000D+03 0.3090570000D-01 0.3066136000D-01
0.1451401000D+03 0.1264173000D+00 0.1344509000D+00
0.5484977000D+02 -0.1429714000D-01 0.3470761000D+00
0.2244351000D+02 -0.6132855000D+00 0.4635435000D+00
0.9286622000D+01 -0.4703598000D+00 0.2039435000D+00
SP 6 1.00
0.8005681000D+02 -0.5056378000D-02 -0.6947816000D-02
0.2757856000D+02 0.6117037000D-01 -0.2938902000D-01
0.1171717000D+02 0.2575692000D+00 0.5377307000D-01
0.5054113000D+01 -0.2150754000D+00 0.3764511000D+00
0.2172525000D+01 -0.7213703000D+00 0.4923913000D+00
0.9041840000D+00 -0.2785244000D+00 0.2073613000D+00
SP 3 1.00
0.1112438000D+01 0.1970334000D+00 -0.9151867000D-02
0.3287220000D+00 -0.2497645000D+00 0.3111786000D+00
0.1305520000D+00 -0.8749447000D+00 0.7436549000D+00
SP 1 1.00
0.4758900000D-01 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.3911406000D+02 0.8790043000D-01
0.1061218000D+02 0.3915600000D+00
0.3273033000D+01 0.6956990000D+00
D 1 1.00
0.9156600000D+00 1.0000000
****
Ge 0
S 6 1.00
0.9428132000D+05 0.1732993000D-02
0.1415642000D+05 0.1328181000D-01
0.3224935000D+04 0.6557319000D-01
0.9094821000D+03 0.2283712000D+00
0.2917149000D+03 0.4778104000D+00
0.9989074000D+02 0.3557135000D+00
SP 6 1.00
0.2016629000D+04 0.2299186000D-02 0.3872605000D-02
0.4806599000D+03 0.3068823000D-01 0.3051218000D-01
0.1560616000D+03 0.1262906000D+00 0.1338971000D+00
0.5907914000D+02 -0.1105405000D-01 0.3462496000D+00
0.2422346000D+02 -0.6103659000D+00 0.4635741000D+00
0.1004418000D+02 -0.4755387000D+00 0.2047879000D+00
SP 6 1.00
0.8728112000D+02 -0.5330845000D-02 -0.6893957000D-02
0.3028230000D+02 0.5874495000D-01 -0.2954252000D-01
0.1285367000D+02 0.2598349000D+00 0.5042291000D-01
0.5587437000D+01 -0.1926917000D+00 0.3699366000D+00
0.2438461000D+01 -0.7190570000D+00 0.4933147000D+00
0.1040324000D+01 -0.2995181000D+00 0.2116445000D+00
SP 3 1.00
0.1344960000D+01 0.2338815000D+00 -0.1976804000D-01
0.4436620000D+00 -0.2189617000D+00 0.3028906000D+00
0.1760820000D+00 -0.9242006000D+00 0.7562828000D+00
SP 1 1.00
0.6466500000D-01 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.4463105000D+02 0.8431036000D-01
0.1220184000D+02 0.3847726000D+00
0.3823423000D+01 0.7003323000D+00
D 1 1.00
0.1108831000D+01 1.0000000
****
As 0
S 6 1.00
0.1005955000D+06 0.1726750000D-02
0.1510482000D+05 0.1323462000D-01
0.3440884000D+04 0.6535848000D-01
0.9703961000D+03 0.2278042000D+00
0.3112852000D+03 0.4774525000D+00
0.1066284000D+03 0.3567619000D+00
SP 6 1.00
0.2166679000D+04 0.2271761000D-02 0.3832156000D-02
0.5165414000D+03 0.3033475000D-01 0.3023558000D-01
0.1678674000D+03 0.1259057000D+00 0.1328632000D+00
0.6364638000D+02 -0.6687172000D-02 0.3447648000D+00
0.2613673000D+02 -0.6065306000D+00 0.4640368000D+00
0.1085439000D+02 -0.4823144000D+00 0.2064824000D+00
SP 6 1.00
0.9506989000D+02 -0.5587423000D-02 -0.6816583000D-02
0.3318087000D+02 0.5632506000D-01 -0.2970303000D-01
0.1406773000D+02 0.2625835000D+00 0.4704335000D-01
0.6153288000D+01 -0.1718349000D+00 0.3645042000D+00
0.2721712000D+01 -0.7175645000D+00 0.4945157000D+00
0.1185334000D+01 -0.3184598000D+00 0.2149830000D+00
SP 3 1.00
0.1615315000D+01 0.2645372000D+00 -0.2574061000D-01
0.5513300000D+00 -0.1952737000D+00 0.3072764000D+00
0.2227620000D+00 -0.9595400000D+00 0.7537368000D+00
SP 1 1.00
0.8292300000D-01 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.5030227000D+02 0.8144711000D-01
0.1384166000D+02 0.3792908000D+00
0.4393458000D+01 0.7040401000D+00
D 1 1.00
0.1310755000D+01 1.0000000
****
Se 0
S 6 1.00
0.1070273000D+06 0.1722646000D-02
0.1607076000D+05 0.1320324000D-01
0.3661226000D+04 0.6520494000D-01
0.1032673000D+04 0.2273787000D+00
0.3313339000D+03 0.4771451000D+00
0.1135470000D+03 0.3575553000D+00
SP 6 1.00
0.2313540000D+04 0.2261924000D-02 0.3818409000D-02
0.5516849000D+03 0.3019493000D-01 0.3015145000D-01
0.1794401000D+03 0.1258828000D+00 0.1325614000D+00
0.6813044000D+02 -0.4373809000D-02 0.3443419000D+00
0.2803062000D+02 -0.6043277000D+00 0.4639237000D+00
0.1166572000D+02 -0.4861200000D+00 0.2068198000D+00
SP 6 1.00
0.1015754000D+03 -0.5752618000D-02 -0.6942389000D-02
0.3561545000D+02 0.5675608000D-01 -0.3014441000D-01
0.1513135000D+02 0.2651243000D+00 0.4776411000D-01
0.6646923000D+01 -0.1670582000D+00 0.3663827000D+00
0.2972805000D+01 -0.7188737000D+00 0.4940086000D+00
0.1316707000D+01 -0.3221907000D+00 0.2100109000D+00
SP 3 1.00
0.1846991000D+01 0.2823156000D+00 -0.2653920000D-01
0.6471590000D+00 -0.2129616000D+00 0.3357291000D+00
0.2579870000D+00 -0.9545384000D+00 0.7301815000D+00
SP 1 1.00
0.9410700000D-01 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.5618544000D+02 0.7904963000D-01
0.1554808000D+02 0.3746449000D+00
0.4989394000D+01 0.7071645000D+00
D 1 1.00
0.1523844000D+01 1.0000000
****
Br 0
S 6 1.00
0.1137182000D+06 0.1717696000D-02
0.1707444000D+05 0.1316744000D-01
0.3889576000D+04 0.6504553000D-01
0.1097096000D+04 0.2269505000D+00
0.3520624000D+03 0.4768357000D+00
0.1207002000D+03 0.3583677000D+00
SP 6 1.00
0.2471138000D+04 0.2243687000D-02 0.3790182000D-02
0.5893838000D+03 0.2994853000D-01 0.2995979000D-01
0.1918738000D+03 0.1256009000D+00 0.1318228000D+00
0.7295339000D+02 -0.9832786000D-03 0.3432708000D+00
0.3005839000D+02 -0.6013141000D+00 0.4642345000D+00
0.1252927000D+02 -0.4913983000D+00 0.2079387000D+00
SP 6 1.00
0.1096411000D+03 -0.5975683000D-02 -0.6907483000D-02
0.3858948000D+02 0.5542122000D-01 -0.3041432000D-01
0.1637818000D+02 0.2681200000D+00 0.4602725000D-01
0.7221836000D+01 -0.1543606000D+00 0.3650689000D+00
0.3263697000D+01 -0.7206306000D+00 0.4949232000D+00
0.1465499000D+01 -0.3316437000D+00 0.2090394000D+00
SP 3 1.00
0.2103651000D+01 0.3029029000D+00 -0.2826714000D-01
0.7547050000D+00 -0.2152659000D+00 0.3503065000D+00
0.3005140000D+00 -0.9633941000D+00 0.7182446000D+00
SP 1 1.00
0.1090710000D+00 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.6225514000D+02 0.7704229000D-01
0.1731284000D+02 0.3707384000D+00
0.5607915000D+01 0.7097628000D+00
D 1 1.00
0.1746486000D+01 1.0000000
****
Kr 0
S 6 1.00
0.1205524000D+06 0.1714050000D-02
0.1810225000D+05 0.1313805000D-01
0.4124126000D+04 0.6490006000D-01
0.1163472000D+04 0.2265185000D+00
0.3734612000D+03 0.4764961000D+00
0.1280897000D+03 0.3591952000D+00
SP 6 1.00
0.2634681000D+04 0.2225111000D-02 0.3761911000D-02
0.6284533000D+03 0.2971122000D-01 0.2977531000D-01
0.2047081000D+03 0.1253926000D+00 0.1311878000D+00
0.7790827000D+02 0.1947058000D-02 0.3425019000D+00
0.3213816000D+02 -0.5987388000D+00 0.4644938000D+00
0.1341845000D+02 -0.4958972000D+00 0.2087284000D+00
SP 6 1.00
0.1175107000D+03 -0.6157662000D-02 -0.6922855000D-02
0.4152553000D+02 0.5464841000D-01 -0.3069239000D-01
0.1765290000D+02 0.2706994000D+00 0.4480260000D-01
0.7818313000D+01 -0.1426136000D+00 0.3636775000D+00
0.3571775000D+01 -0.7216781000D+00 0.4952412000D+00
0.1623750000D+01 -0.3412008000D+00 0.2086340000D+00
SP 3 1.00
0.2374560000D+01 0.3251184000D+00 -0.3009554000D-01
0.8691930000D+00 -0.2141533000D+00 0.3598893000D+00
0.3474730000D+00 -0.9755083000D+00 0.7103098000D+00
SP 1 1.00
0.1264790000D+00 0.1000000000D+01 0.1000000000D+01
D 3 1.00
0.6853888000D+02 0.7530705000D-01
0.1914333000D+02 0.3673551000D+00
0.6251213000D+01 0.7120146000D+00
D 1 1.00
0.1979236000D+01 1.0000000
****