#---------------------------------------------------------------------- # Basis Set Exchange # Version v0.9.1 # https://www.basissetexchange.org #---------------------------------------------------------------------- # Basis set: STO-4G # Description: STO-4G Minimal Basis (4 functions/AO) # Role: orbital # Version: 1 (Data from Gaussian09) #---------------------------------------------------------------------- BASIS "ao basis" SPHERICAL PRINT #BASIS SET: (4s) -> [1s] H S 0.8021420155E+01 0.5675242080E-01 0.1467821061E+01 0.2601413550E+00 0.4077767635E+00 0.5328461143E+00 0.1353374420E+00 0.2916254405E+00 #BASIS SET: (4s) -> [1s] He S 0.1489982967E+02 0.5675242080E-01 0.2726485258E+01 0.2601413550E+00 0.7574474599E+00 0.5328461143E+00 0.2513900027E+00 0.2916254405E+00 #BASIS SET: (8s,4p) -> [2s,1p] Li S 0.3774960873E+02 0.5675242080E-01 0.6907713307E+01 0.2601413550E+00 0.1919038397E+01 0.5328461143E+00 0.6369115922E+00 0.2916254405E+00 Li SP 0.1487042352E+01 -0.6220714565E-01 0.4368434884E-01 0.3219127620E+00 0.2976804596E-04 0.2863793984E+00 0.1046660300E+00 0.5588549221E+00 0.5835753141E+00 0.4019868296E-01 0.4977673218E+00 0.2463134378E+00 #BASIS SET: (8s,4p) -> [2s,1p] Be S 0.7064859542E+02 0.5675242080E-01 0.1292782254E+02 0.2601413550E+00 0.3591490662E+01 0.5328461143E+00 0.1191983464E+01 0.2916254405E+00 Be SP 0.3072833610E+01 -0.6220714565E-01 0.4368434884E-01 0.6652025433E+00 0.2976804596E-04 0.2863793984E+00 0.2162825386E+00 0.5588549221E+00 0.5835753141E+00 0.8306680972E-01 0.4977673218E+00 0.2463134378E+00 #BASIS SET: (8s,4p) -> [2s,1p] B S 0.1142614157E+03 0.5675242080E-01 0.2090843133E+02 0.2601413550E+00 0.5808591172E+01 0.5328461143E+00 0.1927819192E+01 0.2916254405E+00 B SP 0.5227883269E+01 -0.6220714565E-01 0.4368434884E-01 0.1131724554E+01 0.2976804596E-04 0.2863793984E+00 0.3679665118E+00 0.5588549221E+00 0.5835753141E+00 0.1413234948E+00 0.4977673218E+00 0.2463134378E+00 #BASIS SET: (8s,4p) -> [2s,1p] C S 0.1677158132E+03 0.5675242080E-01 0.3068992749E+02 0.2601413550E+00 0.8525997914E+01 0.5328461143E+00 0.2829702061E+01 0.2916254405E+00 C SP 0.6873853272E+01 -0.6220714565E-01 0.4368434884E-01 0.1488041742E+01 0.2976804596E-04 0.2863793984E+00 0.4838187237E+00 0.5588549221E+00 0.5835753141E+00 0.1858184120E+00 0.4977673218E+00 0.2463134378E+00 #BASIS SET: (8s,4p) -> [2s,1p] N S 0.2320916748E+03 0.5675242080E-01 0.4246991702E+02 0.2601413550E+00 0.1179860800E+02 0.5328461143E+00 0.3915851928E+01 0.2916254405E+00 N SP 0.8835122724E+01 -0.6220714565E-01 0.4368434884E-01 0.1912614496E+01 0.2976804596E-04 0.2863793984E+00 0.6218634049E+00 0.5588549221E+00 0.5835753141E+00 0.2388367062E+00 0.4977673218E+00 0.2463134378E+00 #BASIS SET: (8s,4p) -> [2s,1p] O S 0.3061014831E+03 0.5675242080E-01 0.5601280012E+02 0.2601413550E+00 0.1556096922E+02 0.5328461143E+00 0.5164545794E+01 0.2916254405E+00 O SP 0.1176273735E+02 -0.6220714565E-01 0.4368434884E-01 0.2546380246E+01 0.2976804596E-04 0.2863793984E+00 0.8279246515E+00 0.5588549221E+00 0.5835753141E+00 0.3179778633E+00 0.4977673218E+00 0.2463134378E+00 #BASIS SET: (8s,4p) -> [2s,1p] F S 0.3903373501E+03 0.5675242080E-01 0.7142692596E+02 0.2601413550E+00 0.1984318216E+02 0.5328461143E+00 0.6585773774E+01 0.2916254405E+00 F SP 0.1510858265E+02 -0.6220714565E-01 0.4368434884E-01 0.3270683961E+01 0.2976804596E-04 0.2863793984E+00 0.1063423219E+01 0.5588549221E+00 0.5835753141E+00 0.4084249000E+00 0.4977673218E+00 0.2463134378E+00 #BASIS SET: (8s,4p) -> [2s,1p] Ne S 0.4847992758E+03 0.5675242080E-01 0.8871229454E+02 0.2601413550E+00 0.2464524683E+02 0.5328461143E+00 0.8179535868E+01 0.2916254405E+00 Ne SP 0.1927206888E+02 -0.6220714565E-01 0.4368434884E-01 0.4171989395E+01 0.2976804596E-04 0.2863793984E+00 0.1356471749E+01 0.5588549221E+00 0.5835753141E+00 0.5209749312E+00 0.4977673218E+00 0.2463134378E+00 #BASIS SET: (12s,8p) -> [3s,2p] Na S 0.5872711446E+03 0.5675242080E-01 0.1074633840E+03 0.2601413550E+00 0.2985450481E+02 0.5328461143E+00 0.9908441764E+01 0.2916254405E+00 Na SP 0.2813855891E+02 -0.6220714565E-01 0.4368434884E-01 0.6091394239E+01 0.2976804596E-04 0.2863793984E+00 0.1980542953E+01 0.5588549221E+00 0.5835753141E+00 0.7606595784E+00 0.4977673218E+00 0.2463134378E+00 Na SP 0.2822728434E+01 -0.8529019644E-01 -0.2504945181E-01 0.7762611002E+00 -0.2132074034E+00 0.1686604461E+00 0.3055295920E+00 0.5920843928E+00 0.6409553151E+00 0.1359747193E+00 0.6115584746E+00 0.2779508957E+00 #BASIS SET: (12s,8p) -> [3s,2p] Mg S 0.7007688142E+03 0.5675242080E-01 0.1282320592E+03 0.2601413550E+00 0.3562427021E+02 0.5328461143E+00 0.1182337503E+02 0.2916254405E+00 Mg SP 0.3534049090E+02 -0.6220714565E-01 0.4368434884E-01 0.7650457984E+01 0.2976804596E-04 0.2863793984E+00 0.2487453620E+01 0.5588549221E+00 0.5835753141E+00 0.9553468248E+00 0.4977673218E+00 0.2463134378E+00 Mg SP 0.2663733935E+01 -0.8529019644E-01 -0.2504945181E-01 0.7325370055E+00 -0.2132074034E+00 0.1686604461E+00 0.2883201700E+00 0.5920843928E+00 0.6409553151E+00 0.1283157351E+00 0.6115584746E+00 0.2779508957E+00 #BASIS SET: (12s,8p) -> [3s,2p] Al S 0.8229760059E+03 0.5675242080E-01 0.1505944697E+03 0.2601413550E+00 0.4183679269E+02 0.5328461143E+00 0.1388525539E+02 0.2916254405E+00 Al SP 0.4416887546E+02 -0.6220714565E-01 0.4368434884E-01 0.9561613813E+01 0.2976804596E-04 0.2863793984E+00 0.3108842757E+01 0.5588549221E+00 0.5835753141E+00 0.1194001381E+01 0.4977673218E+00 0.2463134378E+00 Al SP 0.2663733935E+01 -0.8529019644E-01 -0.2504945181E-01 0.7325370055E+00 -0.2132074034E+00 0.1686604461E+00 0.2883201700E+00 0.5920843928E+00 0.6409553151E+00 0.1283157351E+00 0.6115584746E+00 0.2779508957E+00 #BASIS SET: (12s,8p) -> [3s,2p] Si S 0.9550002556E+03 0.5675242080E-01 0.1747532808E+03 0.2601413550E+00 0.4854837495E+02 0.5328461143E+00 0.1611276921E+02 0.2916254405E+00 Si SP 0.5420478488E+02 -0.6220714565E-01 0.4368434884E-01 0.1173417286E+02 0.2976804596E-04 0.2863793984E+00 0.3815223981E+01 0.5588549221E+00 0.5835753141E+00 0.1465298523E+01 0.4977673218E+00 0.2463134378E+00 Si SP 0.2822728434E+01 -0.8529019644E-01 -0.2504945181E-01 0.7762611002E+00 -0.2132074034E+00 0.1686604461E+00 0.3055295920E+00 0.5920843928E+00 0.6409553151E+00 0.1359747193E+00 0.6115584746E+00 0.2779508957E+00 #BASIS SET: (12s,8p) -> [3s,2p] P S 0.1096841563E+04 0.5675242080E-01 0.2007084925E+03 0.2601413550E+00 0.5575901699E+02 0.5328461143E+00 0.1850591648E+02 0.2916254405E+00 P SP 0.6551374197E+02 -0.6220714565E-01 0.4368434884E-01 0.1418231942E+02 0.2976804596E-04 0.2863793984E+00 0.4611209139E+01 0.5588549221E+00 0.5835753141E+00 0.1771009507E+01 0.4977673218E+00 0.2463134378E+00 P SP 0.3327363150E+01 -0.8529019644E-01 -0.2504945181E-01 0.9150375744E+00 -0.2132074034E+00 0.1686604461E+00 0.3601508006E+00 0.5920843928E+00 0.6409553151E+00 0.1602836691E+00 0.6115584746E+00 0.2779508957E+00 #BASIS SET: (12s,8p) -> [3s,2p] S S 0.1248499929E+04 0.5675242080E-01 0.2284601050E+03 0.2601413550E+00 0.6346871881E+02 0.5328461143E+00 0.2106469721E+02 0.2916254405E+00 S SP 0.7789336955E+02 -0.6220714565E-01 0.4368434884E-01 0.1686224316E+02 0.2976804596E-04 0.2863793984E+00 0.5482553839E+01 0.5588549221E+00 0.5835753141E+00 0.2105663543E+01 0.4977673218E+00 0.2463134378E+00 S SP 0.3873474692E+01 -0.8529019644E-01 -0.2504945181E-01 0.1065220334E+01 -0.2132074034E+00 0.1686604461E+00 0.4192614237E+00 0.5920843928E+00 0.6409553151E+00 0.1865906148E+00 0.6115584746E+00 0.2779508957E+00 #BASIS SET: (12s,8p) -> [3s,2p] Cl S 0.1408260576E+04 0.5675242080E-01 0.2576943351E+03 0.2601413550E+00 0.7159030805E+02 0.5328461143E+00 0.2376017966E+02 0.2916254405E+00 Cl SP 0.9105253261E+02 -0.6220714565E-01 0.4368434884E-01 0.1971091961E+02 0.2976804596E-04 0.2863793984E+00 0.6408766434E+01 0.5588549221E+00 0.5835753141E+00 0.2461390482E+01 0.4977673218E+00 0.2463134378E+00 Cl SP 0.4064728946E+01 -0.8529019644E-01 -0.2504945181E-01 0.1117815984E+01 -0.2132074034E+00 0.1686604461E+00 0.4399626124E+00 0.5920843928E+00 0.6409553151E+00 0.1958035957E+00 0.6115584746E+00 0.2779508957E+00 #BASIS SET: (12s,8p) -> [3s,2p] Ar S 0.1579451851E+04 0.5675242080E-01 0.2890202292E+03 0.2601413550E+00 0.8029298447E+02 0.5328461143E+00 0.2664851973E+02 0.2916254405E+00 Ar SP 0.1055511955E+03 -0.6220714565E-01 0.4368434884E-01 0.2284956904E+02 0.2976804596E-04 0.2863793984E+00 0.7429260227E+01 0.5588549221E+00 0.5835753141E+00 0.2853327641E+01 0.4977673218E+00 0.2463134378E+00 Ar SP 0.5003856456E+01 -0.8529019644E-01 -0.2504945181E-01 0.1376079636E+01 -0.2132074034E+00 0.1686604461E+00 0.5416129312E+00 0.5920843928E+00 0.6409553151E+00 0.2410426623E+00 0.6115584746E+00 0.2779508957E+00 #BASIS SET: (16s,12p) -> [4s,3p] K S 0.1806760723E+04 0.5675242080E-01 0.3306149522E+03 0.2601413550E+00 0.9184845398E+02 0.5328461143E+00 0.3048367618E+02 0.2916254405E+00 K SP 0.1224663023E+03 -0.6220714565E-01 0.4368434884E-01 0.2651132671E+02 0.2976804596E-04 0.2863793984E+00 0.8619836318E+01 0.5588549221E+00 0.5835753141E+00 0.3310587660E+01 0.4977673218E+00 0.2463134378E+00 K SP 0.6970411032E+01 -0.8529019644E-01 -0.2504945181E-01 0.1916889656E+01 -0.2132074034E+00 0.1686604461E+00 0.7544710332E+00 0.5920843928E+00 0.6409553151E+00 0.3357743067E+00 0.6115584746E+00 0.2779508957E+00 K SP 0.8976145380E+00 -0.5893559813E-01 -0.7180522657E-01 0.3321837707E+00 -0.4289230261E+00 0.3726863425E-01 0.1428153329E+00 0.5472998468E+00 0.6965842249E+00 0.7094176507E-01 0.7853692030E+00 0.3310236850E+00 #BASIS SET: (16s,12p) -> [4s,3p] Ca S 0.2000015077E+04 0.5675242080E-01 0.3659781180E+03 0.2601413550E+00 0.1016727287E+03 0.5328461143E+00 0.3374426464E+02 0.2916254405E+00 Ca SP 0.1391955288E+03 -0.6220714565E-01 0.4368434884E-01 0.3013284528E+02 0.2976804596E-04 0.2863793984E+00 0.9797329156E+01 0.5588549221E+00 0.5835753141E+00 0.3762822843E+01 0.4977673218E+00 0.2463134378E+00 Ca SP 0.8350759800E+01 -0.8529019644E-01 -0.2504945181E-01 0.2296490839E+01 -0.2132074034E+00 0.1686604461E+00 0.9038787448E+00 0.5920843928E+00 0.6409553151E+00 0.4022676095E+00 0.6115584746E+00 0.2779508957E+00 Ca SP 0.8118870602E+00 -0.5893559813E-01 -0.7180522657E-01 0.3004582631E+00 -0.4289230261E+00 0.3726863425E-01 0.1291756270E+00 0.5472998468E+00 0.6965842249E+00 0.6416640847E-01 0.7853692030E+00 0.3310236850E+00 #BASIS SET: (16s,12p,4d) -> [4s,3p,1d] Sc S 0.2205231134E+04 0.5675242080E-01 0.4035301281E+03 0.2601413550E+00 0.1121050883E+03 0.5328461143E+00 0.3720667100E+02 0.2916254405E+00 Sc SP 0.1569954257E+03 -0.6220714565E-01 0.4368434884E-01 0.3398614104E+02 0.2976804596E-04 0.2863793984E+00 0.1105018154E+02 0.5588549221E+00 0.5835753141E+00 0.4244001078E+01 0.4977673218E+00 0.2463134378E+00 Sc SP 0.8905003698E+01 -0.8888858782E-01 -0.2580363992E-01 0.2666264278E+01 -0.2026189326E+00 0.1591409820E+00 0.1057549768E+01 0.5450886531E+00 0.6284124830E+00 0.4701549800E+00 0.6517016167E+00 0.3009838577E+00 Sc SP 0.1123719114E+01 -0.5893559813E-01 -0.7180522657E-01 0.4158591877E+00 -0.4289230261E+00 0.3726863425E-01 0.1787897952E+00 0.5472998468E+00 0.6965842249E+00 0.8881163802E-01 0.7853692030E+00 0.3310236850E+00 Sc D 0.1045705542E+01 0.6920772426E-01 0.3130967068E+00 0.3728157695E+00 0.1241869954E+00 0.5664092659E+00 0.5520982190E-01 0.1585946537E+00 #BASIS SET: (16s,12p,4d) -> [4s,3p,1d] Ti S 0.2420467705E+04 0.5675242080E-01 0.4429157689E+03 0.2601413550E+00 0.1230468506E+03 0.5328461143E+00 0.4083814354E+02 0.2916254405E+00 Ti SP 0.1758659932E+03 -0.6220714565E-01 0.4368434884E-01 0.3807121399E+02 0.2976804596E-04 0.2863793984E+00 0.1237839346E+02 0.5588549221E+00 0.5835753141E+00 0.4754122365E+01 0.4977673218E+00 0.2463134378E+00 Ti SP 0.1022682736E+02 -0.8888858782E-01 -0.2580363992E-01 0.3062034041E+01 -0.2026189326E+00 0.1591409820E+00 0.1214528288E+01 0.5450886531E+00 0.6284124830E+00 0.5399429326E+00 0.6517016167E+00 0.3009838577E+00 Ti SP 0.1268573532E+01 -0.5893559813E-01 -0.7180522657E-01 0.4694660361E+00 -0.4289230261E+00 0.3726863425E-01 0.2018369172E+00 0.5472998468E+00 0.6965842249E+00 0.1002600132E+00 0.7853692030E+00 0.3310236850E+00 Ti D 0.3119832237E+01 0.6920772426E-01 0.9341149681E+00 0.3728157695E+00 0.3705083086E+00 0.5664092659E+00 0.1647169066E+00 0.1585946537E+00 #BASIS SET: (16s,12p,4d) -> [4s,3p,1d] V S 0.2648074981E+04 0.5675242080E-01 0.4845650961E+03 0.2601413550E+00 0.1346174897E+03 0.5328461143E+00 0.4467833466E+02 0.2916254405E+00 V SP 0.1958072311E+03 -0.6220714565E-01 0.4368434884E-01 0.4238806413E+02 0.2976804596E-04 0.2863793984E+00 0.1378196492E+02 0.5588549221E+00 0.5835753141E+00 0.5293186703E+01 0.4977673218E+00 0.2463134378E+00 V SP 0.1164008543E+02 -0.8888858782E-01 -0.2580363992E-01 0.3485180359E+01 -0.2026189326E+00 0.1591409820E+00 0.1382365473E+01 0.5450886531E+00 0.6284124830E+00 0.6145583224E+00 0.6517016167E+00 0.3009838577E+00 V SP 0.1268573532E+01 -0.5893559813E-01 -0.7180522657E-01 0.4694660361E+00 -0.4289230261E+00 0.3726863425E-01 0.2018369172E+00 0.5472998468E+00 0.6965842249E+00 0.1002600132E+00 0.7853692030E+00 0.3310236850E+00 V D 0.5619587013E+01 0.6920772426E-01 0.1682571352E+01 0.3728157695E+00 0.6673768080E+00 0.5664092659E+00 0.2966957577E+00 0.1585946537E+00 #BASIS SET: (16s,12p,4d) -> [4s,3p,1d] Cr S 0.2885908315E+04 0.5675242080E-01 0.5280856659E+03 0.2601413550E+00 0.1467079806E+03 0.5328461143E+00 0.4869105989E+02 0.2916254405E+00 Cr SP 0.2168191395E+03 -0.6220714565E-01 0.4368434884E-01 0.4693669146E+02 0.2976804596E-04 0.2863793984E+00 0.1526089592E+02 0.5588549221E+00 0.5835753141E+00 0.5861194094E+01 0.4977673218E+00 0.2463134378E+00 Cr SP 0.1307745523E+02 -0.8888858782E-01 -0.2580363992E-01 0.3915546014E+01 -0.2026189326E+00 0.1591409820E+00 0.1553066143E+01 0.5450886531E+00 0.6284124830E+00 0.6904467322E+00 0.6517016167E+00 0.3009838577E+00 Cr SP 0.1344292886E+01 -0.5893559813E-01 -0.7180522657E-01 0.4974877978E+00 -0.4289230261E+00 0.3726863425E-01 0.2138842765E+00 0.5472998468E+00 0.6965842249E+00 0.1062443912E+00 0.7853692030E+00 0.3310236850E+00 Cr D 0.8039401490E+01 0.6920772426E-01 0.2407092657E+01 0.3728157695E+00 0.9547516734E+00 0.5664092659E+00 0.4244540233E+00 0.1585946537E+00 #BASIS SET: (16s,12p,4d) -> [4s,3p,1d] Mn S 0.3131410932E+04 0.5675242080E-01 0.5730096202E+03 0.2601413550E+00 0.1591883470E+03 0.5328461143E+00 0.5283318130E+02 0.2916254405E+00 Mn SP 0.2384307443E+03 -0.6220714565E-01 0.4368434884E-01 0.5161514016E+02 0.2976804596E-04 0.2863793984E+00 0.1678203677E+02 0.5588549221E+00 0.5835753141E+00 0.6445412859E+01 0.4977673218E+00 0.2463134378E+00 Mn SP 0.1459848147E+02 -0.8888858782E-01 -0.2580363992E-01 0.4370959405E+01 -0.2026189326E+00 0.1591409820E+00 0.1733701773E+01 0.5450886531E+00 0.6284124830E+00 0.7707519276E+00 0.6517016167E+00 0.3009838577E+00 Mn SP 0.1195048941E+01 -0.5893559813E-01 -0.7180522657E-01 0.4422564994E+00 -0.4289230261E+00 0.3726863425E-01 0.1901387568E+00 0.5472998468E+00 0.6965842249E+00 0.9444909551E-01 0.7853692030E+00 0.3310236850E+00 Mn D 0.1028637208E+02 0.6920772426E-01 0.3079862440E+01 0.3728157695E+00 0.1221599763E+01 0.5664092659E+00 0.5430866984E+00 0.1585946537E+00 #BASIS SET: (16s,12p,4d) -> [4s,3p,1d] Fe S 0.3389593089E+04 0.5675242080E-01 0.6202537741E+03 0.2601413550E+00 0.1723132903E+03 0.5328461143E+00 0.5718923199E+02 0.2916254405E+00 Fe SP 0.2615616881E+03 -0.6220714565E-01 0.4368434884E-01 0.5662249318E+02 0.2976804596E-04 0.2863793984E+00 0.1841011687E+02 0.5588549221E+00 0.5835753141E+00 0.7070703373E+01 0.4977673218E+00 0.2463134378E+00 Fe SP 0.1620316416E+02 -0.8888858782E-01 -0.2580363992E-01 0.4851420534E+01 -0.2026189326E+00 0.1591409820E+00 0.1924272362E+01 0.5450886531E+00 0.6284124830E+00 0.8554739089E+00 0.6517016167E+00 0.3009838577E+00 Fe SP 0.1054584052E+01 -0.5893559813E-01 -0.7180522657E-01 0.3902741010E+00 -0.4289230261E+00 0.3726863425E-01 0.1677900324E+00 0.5472998468E+00 0.6965842249E+00 0.8334764076E-01 0.7853692030E+00 0.3310236850E+00 Fe D 0.1215308610E+02 0.6920772426E-01 0.3638778875E+01 0.3728157695E+00 0.1443288945E+01 0.5664092659E+00 0.6416430747E+00 0.1585946537E+00 #BASIS SET: (16s,12p,4d) -> [4s,3p,1d] Co S 0.3655238986E+04 0.5675242080E-01 0.6688637004E+03 0.2601413550E+00 0.1858176601E+03 0.5328461143E+00 0.6167121093E+02 0.2916254405E+00 Co SP 0.2857633023E+03 -0.6220714565E-01 0.4368434884E-01 0.6186162338E+02 0.2976804596E-04 0.2863793984E+00 0.2011355651E+02 0.5588549221E+00 0.5835753141E+00 0.7724936938E+01 0.4977673218E+00 0.2463134378E+00 Co SP 0.1789150329E+02 -0.8888858782E-01 -0.2580363992E-01 0.5356929398E+01 -0.2026189326E+00 0.1591409820E+00 0.2124777911E+01 0.5450886531E+00 0.6284124830E+00 0.9446126759E+00 0.6517016167E+00 0.3009838577E+00 Co SP 0.1054584052E+01 -0.5893559813E-01 -0.7180522657E-01 0.3902741010E+00 -0.4289230261E+00 0.3726863425E-01 0.1677900324E+00 0.5472998468E+00 0.6965842249E+00 0.8334764076E-01 0.7853692030E+00 0.3310236850E+00 Co D 0.1452752906E+02 0.6920772426E-01 0.4349715406E+01 0.3728157695E+00 0.1725275531E+01 0.5664092659E+00 0.7670058728E+00 0.1585946537E+00 #BASIS SET: (16s,12p,4d) -> [4s,3p,1d] Ni S 0.3933769968E+04 0.5675242080E-01 0.7198314384E+03 0.2601413550E+00 0.1999770558E+03 0.5328461143E+00 0.6637058708E+02 0.2916254405E+00 Ni SP 0.3104981607E+03 -0.6220714565E-01 0.4368434884E-01 0.6721618948E+02 0.2976804596E-04 0.2863793984E+00 0.2185452873E+02 0.5588549221E+00 0.5835753141E+00 0.8393585499E+01 0.4977673218E+00 0.2463134378E+00 Ni SP 0.1958113875E+02 -0.8888858782E-01 -0.2580363992E-01 0.5862826399E+01 -0.2026189326E+00 0.1591409820E+00 0.2325437411E+01 0.5450886531E+00 0.6284124830E+00 0.1033819885E+01 0.6517016167E+00 0.3009838577E+00 Ni SP 0.1123719114E+01 -0.5893559813E-01 -0.7180522657E-01 0.4158591877E+00 -0.4289230261E+00 0.3726863425E-01 0.1787897952E+00 0.5472998468E+00 0.6965842249E+00 0.8881163802E-01 0.7853692030E+00 0.3310236850E+00 Ni D 0.1635319266E+02 0.6920772426E-01 0.4896340854E+01 0.3728157695E+00 0.1942089604E+01 0.5664092659E+00 0.8633949213E+00 0.1585946537E+00 #BASIS SET: (16s,12p,4d) -> [4s,3p,1d] Cu S 0.4219559145E+04 0.5675242080E-01 0.7721273368E+03 0.2601413550E+00 0.2145054290E+03 0.5328461143E+00 0.7119242354E+02 0.2916254405E+00 Cu SP 0.3368188103E+03 -0.6220714565E-01 0.4368434884E-01 0.7291404537E+02 0.2976804596E-04 0.2863793984E+00 0.2370711746E+02 0.5588549221E+00 0.5835753141E+00 0.9105102188E+01 0.4977673218E+00 0.2463134378E+00 Cu SP 0.2143298820E+02 -0.8888858782E-01 -0.2580363992E-01 0.6417292204E+01 -0.2026189326E+00 0.1591409820E+00 0.2545361290E+01 0.5450886531E+00 0.6284124830E+00 0.1131591460E+01 0.6517016167E+00 0.3009838577E+00 Cu SP 0.1123719114E+01 -0.5893559813E-01 -0.7180522657E-01 0.4158591877E+00 -0.4289230261E+00 0.3726863425E-01 0.1787897952E+00 0.5472998468E+00 0.6965842249E+00 0.8881163802E-01 0.7853692030E+00 0.3310236850E+00 Cu D 0.1828688369E+02 0.6920772426E-01 0.5475311004E+01 0.3728157695E+00 0.2171732911E+01 0.5664092659E+00 0.9654874639E+00 0.1585946537E+00 #BASIS SET: (16s,12p,4d) -> [4s,3p,1d] Zn S 0.4518438950E+04 0.5675242080E-01 0.8268186588E+03 0.2601413550E+00 0.2296992771E+03 0.5328461143E+00 0.7623512515E+02 0.2916254405E+00 Zn SP 0.3642101305E+03 -0.6220714565E-01 0.4368434884E-01 0.7884367845E+02 0.2976804596E-04 0.2863793984E+00 0.2563506574E+02 0.5588549221E+00 0.5835753141E+00 0.9845561928E+01 0.4977673218E+00 0.2463134378E+00 Zn SP 0.2327870169E+02 -0.8888858782E-01 -0.2580363992E-01 0.6969920829E+01 -0.2026189326E+00 0.1591409820E+00 0.2764556469E+01 0.5450886531E+00 0.6284124830E+00 0.1229039077E+01 0.6517016167E+00 0.3009838577E+00 Zn SP 0.1584619533E+01 -0.5893559813E-01 -0.7180522657E-01 0.5864264327E+00 -0.4289230261E+00 0.3726863425E-01 0.2521215471E+00 0.5472998468E+00 0.6965842249E+00 0.1252382864E+00 0.7853692030E+00 0.3310236850E+00 Zn D 0.2074990914E+02 0.6920772426E-01 0.6212770190E+01 0.3728157695E+00 0.2464239471E+01 0.5664092659E+00 0.1095527127E+01 0.1585946537E+00 #BASIS SET: (16s,12p,4d) -> [4s,3p,1d] Ga S 0.4827544814E+04 0.5675242080E-01 0.8833812236E+03 0.2601413550E+00 0.2454129770E+03 0.5328461143E+00 0.8145036087E+02 0.2916254405E+00 Ga SP 0.3920682425E+03 -0.6220714565E-01 0.4368434884E-01 0.8487436195E+02 0.2976804596E-04 0.2863793984E+00 0.2759586933E+02 0.5588549221E+00 0.5835753141E+00 0.1059864029E+02 0.4977673218E+00 0.2463134378E+00 Ga SP 0.2391087822E+02 -0.8888858782E-01 -0.2580363992E-01 0.7159202020E+01 -0.2026189326E+00 0.1591409820E+00 0.2839633152E+01 0.5450886531E+00 0.6284124830E+00 0.1262415924E+01 0.6517016167E+00 0.3009838577E+00 Ga SP 0.1422207004E+01 -0.5893559813E-01 -0.7180522657E-01 0.5263217844E+00 -0.4289230261E+00 0.3726863425E-01 0.2262808345E+00 0.5472998468E+00 0.6965842249E+00 0.1124022294E+00 0.7853692030E+00 0.3310236850E+00 Ga D 0.2391087822E+02 0.6920772426E-01 0.7159202020E+01 0.3728157695E+00 0.2839633152E+01 0.5664092659E+00 0.1262415924E+01 0.1585946537E+00 #BASIS SET: (16s,12p,4d) -> [4s,3p,1d] Ge S 0.5143600037E+04 0.5675242080E-01 0.9412154354E+03 0.2601413550E+00 0.2614799543E+03 0.5328461143E+00 0.8678284621E+02 0.2916254405E+00 Ge SP 0.4215785979E+03 -0.6220714565E-01 0.4368434884E-01 0.9126272071E+02 0.2976804596E-04 0.2863793984E+00 0.2967296670E+02 0.5588549221E+00 0.5835753141E+00 0.1139638315E+02 0.4977673218E+00 0.2463134378E+00 Ge SP 0.2690868267E+02 -0.8888858782E-01 -0.2580363992E-01 0.8056780414E+01 -0.2026189326E+00 0.1591409820E+00 0.3195649557E+01 0.5450886531E+00 0.6284124830E+00 0.1420690164E+01 0.6517016167E+00 0.3009838577E+00 Ge SP 0.1755811116E+01 -0.5893559813E-01 -0.7180522657E-01 0.6497799808E+00 -0.4289230261E+00 0.3726863425E-01 0.2793590550E+00 0.5472998468E+00 0.6965842249E+00 0.1387681844E+00 0.7853692030E+00 0.3310236850E+00 Ge D 0.2690868267E+02 0.6920772426E-01 0.8056780414E+01 0.3728157695E+00 0.3195649557E+01 0.5664092659E+00 0.1420690164E+01 0.1585946537E+00 #BASIS SET: (16s,12p,4d) -> [4s,3p,1d] As S 0.5473054724E+04 0.5675242080E-01 0.1001501584E+04 0.2601413550E+00 0.2782281066E+03 0.5328461143E+00 0.9234140739E+02 0.2916254405E+00 As SP 0.4515115987E+03 -0.6220714565E-01 0.4368434884E-01 0.9774257312E+02 0.2976804596E-04 0.2863793984E+00 0.3177981211E+02 0.5588549221E+00 0.5835753141E+00 0.1220555123E+02 0.4977673218E+00 0.2463134378E+00 As SP 0.3008347927E+02 -0.8888858782E-01 -0.2580363992E-01 0.9007352366E+01 -0.2026189326E+00 0.1591409820E+00 0.3572685380E+01 0.5450886531E+00 0.6284124830E+00 0.1588309008E+01 0.6517016167E+00 0.3009838577E+00 As SP 0.1972829370E+01 -0.5893559813E-01 -0.7180522657E-01 0.7300927864E+00 -0.4289230261E+00 0.3726863425E-01 0.3138878342E+00 0.5472998468E+00 0.6965842249E+00 0.1559199320E+00 0.7853692030E+00 0.3310236850E+00 As D 0.3008347927E+02 0.6920772426E-01 0.9007352366E+01 0.3728157695E+00 0.3572685380E+01 0.5664092659E+00 0.1588309008E+01 0.1585946537E+00 #BASIS SET: (16s,12p,4d) -> [4s,3p,1d] Se S 0.5809253227E+04 0.5675242080E-01 0.1063021768E+04 0.2601413550E+00 0.2953190873E+03 0.5328461143E+00 0.9801375025E+02 0.2916254405E+00 Se SP 0.4818017220E+03 -0.6220714565E-01 0.4368434884E-01 0.1042997349E+03 0.2976804596E-04 0.2863793984E+00 0.3391179373E+02 0.5588549221E+00 0.5835753141E+00 0.1302437328E+02 0.4977673218E+00 0.2463134378E+00 Se SP 0.3343526801E+02 -0.8888858782E-01 -0.2580363992E-01 0.1001091788E+02 -0.2026189326E+00 0.1591409820E+00 0.3970740622E+01 0.5450886531E+00 0.6284124830E+00 0.1765272457E+01 0.6517016167E+00 0.3009838577E+00 Se SP 0.2163334877E+01 -0.5893559813E-01 -0.7180522657E-01 0.8005939143E+00 -0.4289230261E+00 0.3726863425E-01 0.3441982916E+00 0.5472998468E+00 0.6965842249E+00 0.1709762800E+00 0.7853692030E+00 0.3310236850E+00 Se D 0.3343526801E+02 0.6920772426E-01 0.1001091788E+02 0.3728157695E+00 0.3970740622E+01 0.5664092659E+00 0.1765272457E+01 0.1585946537E+00 #BASIS SET: (16s,12p,4d) -> [4s,3p,1d] Br S 0.6159056739E+04 0.5675242080E-01 0.1127031501E+04 0.2601413550E+00 0.3131016920E+03 0.5328461143E+00 0.1039156369E+03 0.2916254405E+00 Br SP 0.5137659298E+03 -0.6220714565E-01 0.4368434884E-01 0.1112193000E+03 0.2976804596E-04 0.2863793984E+00 0.3616160639E+02 0.5588549221E+00 0.5835753141E+00 0.1388845025E+02 0.4977673218E+00 0.2463134378E+00 Br SP 0.3696404889E+02 -0.8888858782E-01 -0.2580363992E-01 0.1106747694E+02 -0.2026189326E+00 0.1591409820E+00 0.4389815283E+01 0.5450886531E+00 0.6284124830E+00 0.1951580511E+01 0.6517016167E+00 0.3009838577E+00 Br SP 0.2486404122E+01 -0.5893559813E-01 -0.7180522657E-01 0.9201534308E+00 -0.4289230261E+00 0.3726863425E-01 0.3956003577E+00 0.5472998468E+00 0.6965842249E+00 0.1965096259E+00 0.7853692030E+00 0.3310236850E+00 Br D 0.3696404889E+02 0.6920772426E-01 0.1106747694E+02 0.3728157695E+00 0.4389815283E+01 0.5664092659E+00 0.1951580511E+01 0.1585946537E+00 #BASIS SET: (16s,12p,4d) -> [4s,3p,1d] Kr S 0.6515398521E+04 0.5675242080E-01 0.1192237657E+04 0.2601413550E+00 0.3312166762E+03 0.5328461143E+00 0.1099278373E+03 0.2916254405E+00 Kr SP 0.5467566614E+03 -0.6220714565E-01 0.4368434884E-01 0.1183610855E+03 0.2976804596E-04 0.2863793984E+00 0.3848367133E+02 0.5588549221E+00 0.5835753141E+00 0.1478027688E+02 0.4977673218E+00 0.2463134378E+00 Kr SP 0.4066982192E+02 -0.8888858782E-01 -0.2580363992E-01 0.1217702957E+02 -0.2026189326E+00 0.1591409820E+00 0.4829909363E+01 0.5450886531E+00 0.6284124830E+00 0.2147233169E+01 0.6517016167E+00 0.3009838577E+00 Kr SP 0.2831947750E+01 -0.5893559813E-01 -0.7180522657E-01 0.1048030131E+01 -0.4289230261E+00 0.3726863425E-01 0.4505782197E+00 0.5472998468E+00 0.6965842249E+00 0.2238192046E+00 0.7853692030E+00 0.3310236850E+00 Kr D 0.4066982192E+02 0.6920772426E-01 0.1217702957E+02 0.3728157695E+00 0.4829909363E+01 0.5664092659E+00 0.2147233169E+01 0.1585946537E+00 #BASIS SET: (20s,16p,4d) -> [5s,4p,1d] Rb S 0.6881760819E+04 0.5675242080E-01 0.1259277444E+04 0.2601413550E+00 0.3498410630E+03 0.5328461143E+00 0.1161091038E+03 0.2916254405E+00 Rb SP 0.5807739169E+03 -0.6220714565E-01 0.4368434884E-01 0.1257250914E+03 0.2976804596E-04 0.2863793984E+00 0.4087798854E+02 0.5588549221E+00 0.5835753141E+00 0.1569985315E+02 0.4977673218E+00 0.2463134378E+00 Rb SP 0.4455258709E+02 -0.8888858782E-01 -0.2580363992E-01 0.1333957576E+02 -0.2026189326E+00 0.1591409820E+00 0.5291022861E+01 0.5450886531E+00 0.6284124830E+00 0.2352230432E+01 0.6517016167E+00 0.3009838577E+00 Rb SP 0.4003424927E+01 -0.5893559813E-01 -0.7180522657E-01 0.1481563334E+01 -0.4289230261E+00 0.3726863425E-01 0.6369665812E+00 0.5472998468E+00 0.6965842249E+00 0.3164053373E+00 0.7853692030E+00 0.3310236850E+00 Rb SP 0.9305523241E+00 0.4045111204E-01 -0.8586149653E-01 0.4294598624E+00 -0.6576691017E+00 -0.1090154130E+00 0.1902750346E+00 0.3792524265E+00 0.7234042096E+00 0.1036198526E+00 0.1038589734E+01 0.4117428940E+00 Rb D 0.4455258709E+02 0.6920772426E-01 0.1333957576E+02 0.3728157695E+00 0.5291022861E+01 0.5664092659E+00 0.2352230432E+01 0.1585946537E+00 #BASIS SET: (20s,16p,4d) -> [5s,4p,1d] Sr S 0.7262035919E+04 0.5675242080E-01 0.1328863102E+04 0.2601413550E+00 0.3691727208E+03 0.5328461143E+00 0.1225251073E+03 0.2916254405E+00 Sr SP 0.6158176964E+03 -0.6220714565E-01 0.4368434884E-01 0.1333113178E+03 0.2976804596E-04 0.2863793984E+00 0.4334455802E+02 0.5588549221E+00 0.5835753141E+00 0.1664717909E+02 0.4977673218E+00 0.2463134378E+00 Sr SP 0.4848279791E+02 -0.8888858782E-01 -0.2580363992E-01 0.1451632774E+02 -0.2026189326E+00 0.1591409820E+00 0.5757770959E+01 0.5450886531E+00 0.6284124830E+00 0.2559732669E+01 0.6517016167E+00 0.3009838577E+00 Sr SP 0.4383206871E+01 -0.5893559813E-01 -0.7180522657E-01 0.1622110744E+01 -0.4289230261E+00 0.3726863425E-01 0.6973919448E+00 0.5472998468E+00 0.6965842249E+00 0.3464208955E+00 0.7853692030E+00 0.3310236850E+00 Sr SP 0.8351771552E+00 0.4045111204E-01 -0.8586149653E-01 0.3854432006E+00 -0.6576691017E+00 -0.1090154130E+00 0.1707731612E+00 0.3792524265E+00 0.7234042096E+00 0.9299953527E-01 0.1038589734E+01 0.4117428940E+00 Sr D 0.4848279791E+02 0.6920772426E-01 0.1451632774E+02 0.3728157695E+00 0.5757770959E+01 0.5664092659E+00 0.2559732669E+01 0.1585946537E+00 #BASIS SET: (20s,16p,8d) -> [5s,4p,2d] Y S 0.7648541497E+04 0.5675242080E-01 0.1399588861E+04 0.2601413550E+00 0.3888211111E+03 0.5328461143E+00 0.1290462314E+03 0.2916254405E+00 Y SP 0.6495549698E+03 -0.6220714565E-01 0.4368434884E-01 0.1406147136E+03 0.2976804596E-04 0.2863793984E+00 0.4571916857E+02 0.5588549221E+00 0.5835753141E+00 0.1755918671E+02 0.4977673218E+00 0.2463134378E+00 Y SP 0.5489599765E+02 -0.8888858782E-01 -0.2580363992E-01 0.1643651620E+02 -0.2026189326E+00 0.1591409820E+00 0.6519396460E+01 0.5450886531E+00 0.6284124830E+00 0.2898328575E+01 0.6517016167E+00 0.3009838577E+00 Y SP 0.4875448833E+01 -0.5846878904E-01 -0.6746634036E-01 0.1740435832E+01 -0.4398036149E+00 0.2077927908E-01 0.7753819175E+00 0.5319219322E+00 0.6884538915E+00 0.3800861226E+00 0.8107467608E+00 0.3514817260E+00 Y SP 0.8351771552E+00 0.4045111204E-01 -0.8586149653E-01 0.3854432006E+00 -0.6576691017E+00 -0.1090154130E+00 0.1707731612E+00 0.3792524265E+00 0.7234042096E+00 0.9299953527E-01 0.1038589734E+01 0.4117428940E+00 Y D 0.5489599765E+02 0.6920772426E-01 0.1643651620E+02 0.3728157695E+00 0.6519396460E+01 0.5664092659E+00 0.2898328575E+01 0.1585946537E+00 Y D 0.8828336501E+00 0.3869942210E-02 0.3151536138E+00 0.2976123998E+00 0.1404041498E+00 0.6203734570E+00 0.6882501088E-01 0.1735534933E+00 #BASIS SET: (20s,16p,8d) -> [5s,4p,2d] Zr S 0.8045067590E+04 0.5675242080E-01 0.1472148250E+04 0.2601413550E+00 0.4089789041E+03 0.5328461143E+00 0.1357364217E+03 0.2916254405E+00 Zr SP 0.6865862743E+03 -0.6220714565E-01 0.4368434884E-01 0.1486311964E+03 0.2976804596E-04 0.2863793984E+00 0.4832563074E+02 0.5588549221E+00 0.5835753141E+00 0.1856024069E+02 0.4977673218E+00 0.2463134378E+00 Zr SP 0.5825193464E+02 -0.8888858782E-01 -0.2580363992E-01 0.1744132375E+02 -0.2026189326E+00 0.1591409820E+00 0.6917944345E+01 0.5450886531E+00 0.6284124830E+00 0.3075511038E+01 0.6517016167E+00 0.3009838577E+00 Zr SP 0.5454830937E+01 -0.5846878904E-01 -0.6746634036E-01 0.1947263431E+01 -0.4398036149E+00 0.2077927908E-01 0.8675257226E+00 0.5319219322E+00 0.6884538915E+00 0.4252542917E+00 0.8107467608E+00 0.3514817260E+00 Zr SP 0.9305523241E+00 0.4045111204E-01 -0.8586149653E-01 0.4294598624E+00 -0.6576691017E+00 -0.1090154130E+00 0.1902750346E+00 0.3792524265E+00 0.7234042096E+00 0.1036198526E+00 0.1038589734E+01 0.4117428940E+00 Zr D 0.5825193464E+02 0.6920772426E-01 0.1744132375E+02 0.3728157695E+00 0.6917944345E+01 0.5664092659E+00 0.3075511038E+01 0.1585946537E+00 Zr D 0.1712742324E+01 0.3869942210E-02 0.6114140900E+00 0.2976123998E+00 0.2723912142E+00 0.6203734570E+00 0.1335240326E+00 0.1735534933E+00 #BASIS SET: (20s,16p,8d) -> [5s,4p,2d] Nb S 0.8455814279E+04 0.5675242080E-01 0.1547309834E+04 0.2601413550E+00 0.4298596150E+03 0.5328461143E+00 0.1426665419E+03 0.2916254405E+00 Nb SP 0.7246441027E+03 -0.6220714565E-01 0.4368434884E-01 0.1568698997E+03 0.2976804596E-04 0.2863793984E+00 0.5100434517E+02 0.5588549221E+00 0.5835753141E+00 0.1958904433E+02 0.4977673218E+00 0.2463134378E+00 Nb SP 0.6258685943E+02 -0.8888858782E-01 -0.2580363992E-01 0.1873925191E+02 -0.2026189326E+00 0.1591409820E+00 0.7432755889E+01 0.5450886531E+00 0.6284124830E+00 0.3304380845E+01 0.6517016167E+00 0.3009838577E+00 Nb SP 0.6066733750E+01 -0.5846878904E-01 -0.6746634036E-01 0.2165700260E+01 -0.4398036149E+00 0.2077927908E-01 0.9648415581E+00 0.5319219322E+00 0.6884538915E+00 0.4729577495E+00 0.8107467608E+00 0.3514817260E+00 Nb SP 0.9305523241E+00 0.4045111204E-01 -0.8586149653E-01 0.4294598624E+00 -0.6576691017E+00 -0.1090154130E+00 0.1902750346E+00 0.3792524265E+00 0.7234042096E+00 0.1036198526E+00 0.1038589734E+01 0.4117428940E+00 Nb D 0.6258685943E+02 0.6920772426E-01 0.1873925191E+02 0.3728157695E+00 0.7432755889E+01 0.5664092659E+00 0.3304380845E+01 0.1585946537E+00 Nb D 0.2594449911E+01 0.3869942210E-02 0.9261657222E+00 0.2976123998E+00 0.4126162771E+00 0.6203734570E+00 0.2022612565E+00 0.1735534933E+00 #BASIS SET: (20s,16p,8d) -> [5s,4p,2d] Mo S 0.8872483652E+04 0.5675242080E-01 0.1623555196E+04 0.2601413550E+00 0.4510414114E+03 0.5328461143E+00 0.1496965897E+03 0.2916254405E+00 Mo SP 0.7628861850E+03 -0.6220714565E-01 0.4368434884E-01 0.1651484899E+03 0.2976804596E-04 0.2863793984E+00 0.5369602838E+02 0.5588549221E+00 0.5835753141E+00 0.2062282883E+02 0.4977673218E+00 0.2463134378E+00 Mo SP 0.6722970562E+02 -0.8888858782E-01 -0.2580363992E-01 0.2012937541E+02 -0.2026189326E+00 0.1591409820E+00 0.7984135885E+01 0.5450886531E+00 0.6284124830E+00 0.3549507892E+01 0.6517016167E+00 0.3009838577E+00 Mo SP 0.6745975150E+01 -0.5846878904E-01 -0.6746634036E-01 0.2408175591E+01 -0.4398036149E+00 0.2077927908E-01 0.1072866792E+01 0.5319219322E+00 0.6884538915E+00 0.5259108701E+00 0.8107467608E+00 0.3514817260E+00 Mo SP 0.9801731890E+00 0.4045111204E-01 -0.8586149653E-01 0.4523604229E+00 -0.6576691017E+00 -0.1090154130E+00 0.2004212795E+00 0.3792524265E+00 0.7234042096E+00 0.1091452879E+00 0.1038589734E+01 0.4117428940E+00 Mo D 0.6722970562E+02 0.6920772426E-01 0.2012937541E+02 0.3728157695E+00 0.7984135885E+01 0.5664092659E+00 0.3549507892E+01 0.1585946537E+00 Mo D 0.3283600668E+01 0.3869942210E-02 0.1172178492E+01 0.2976123998E+00 0.5222174757E+00 0.6203734570E+00 0.2559869027E+00 0.1735534933E+00 #BASIS SET: (20s,16p,8d) -> [5s,4p,2d] Tc S 0.9299173540E+04 0.5675242080E-01 0.1701634188E+04 0.2601413550E+00 0.4727326105E+03 0.5328461143E+00 0.1568957037E+03 0.2916254405E+00 Tc SP 0.8029752204E+03 -0.6220714565E-01 0.4368434884E-01 0.1738269059E+03 0.2976804596E-04 0.2863793984E+00 0.5651771007E+02 0.5588549221E+00 0.5835753141E+00 0.2170654136E+02 0.4977673218E+00 0.2463134378E+00 Tc SP 0.7219654767E+02 -0.8888858782E-01 -0.2580363992E-01 0.2161650714E+02 -0.2026189326E+00 0.1591409820E+00 0.8573993323E+01 0.5450886531E+00 0.6284124830E+00 0.3811740857E+01 0.6517016167E+00 0.3009838577E+00 Tc SP 0.7388101503E+01 -0.5846878904E-01 -0.6746634036E-01 0.2637401607E+01 -0.4398036149E+00 0.2077927908E-01 0.1174989320E+01 0.5319219322E+00 0.6884538915E+00 0.5759705311E+00 0.8107467608E+00 0.3514817260E+00 Tc SP 0.8822203128E+00 0.4045111204E-01 -0.8586149653E-01 0.4071541216E+00 -0.6576691017E+00 -0.1090154130E+00 0.1803923285E+00 0.3792524265E+00 0.7234042096E+00 0.9823793502E-01 0.1038589734E+01 0.4117428940E+00 Tc D 0.7219654767E+02 0.6920772426E-01 0.2161650714E+02 0.3728157695E+00 0.8573993323E+01 0.5664092659E+00 0.3811740857E+01 0.1585946537E+00 Tc D 0.4053827985E+01 0.3869942210E-02 0.1447133941E+01 0.2976123998E+00 0.6447129330E+00 0.6203734570E+00 0.3160332132E+00 0.1735534933E+00 #BASIS SET: (20s,16p,8d) -> [5s,4p,2d] Ru S 0.9740391818E+04 0.5675242080E-01 0.1782371697E+04 0.2601413550E+00 0.4951623745E+03 0.5328461143E+00 0.1643399407E+03 0.2916254405E+00 Ru SP 0.8432052924E+03 -0.6220714565E-01 0.4368434884E-01 0.1825358533E+03 0.2976804596E-04 0.2863793984E+00 0.5934931868E+02 0.5588549221E+00 0.5835753141E+00 0.2279406648E+02 0.4977673218E+00 0.2463134378E+00 Ru SP 0.7717695798E+02 -0.8888858782E-01 -0.2580363992E-01 0.2310770137E+02 -0.2026189326E+00 0.1591409820E+00 0.9165462113E+01 0.5450886531E+00 0.6284124830E+00 0.4074690182E+01 0.6517016167E+00 0.3009838577E+00 Ru SP 0.8097566443E+01 -0.5846878904E-01 -0.6746634036E-01 0.2890666126E+01 -0.4398036149E+00 0.2077927908E-01 0.1287821247E+01 0.5319219322E+00 0.6884538915E+00 0.6312798549E+00 0.8107467608E+00 0.3514817260E+00 Ru SP 0.7894228511E+00 0.4045111204E-01 -0.8586149653E-01 0.3643270993E+00 -0.6576691017E+00 -0.1090154130E+00 0.1614175328E+00 0.3792524265E+00 0.7234042096E+00 0.8790465333E-01 0.1038589734E+01 0.4117428940E+00 Ru D 0.7717695798E+02 0.6920772426E-01 0.2310770137E+02 0.3728157695E+00 0.9165462113E+01 0.5664092659E+00 0.4074690182E+01 0.1585946537E+00 Ru D 0.4612355397E+01 0.3869942210E-02 0.1646516839E+01 0.2976123998E+00 0.7335400482E+00 0.6203734570E+00 0.3595755671E+00 0.1735534933E+00 #BASIS SET: (20s,16p,8d) -> [5s,4p,2d] Rh S 0.1018722499E+05 0.5675242080E-01 0.1864136662E+04 0.2601413550E+00 0.5178775770E+03 0.5328461143E+00 0.1718789122E+03 0.2916254405E+00 Rh SP 0.8844186712E+03 -0.6220714565E-01 0.4368434884E-01 0.1914576655E+03 0.2976804596E-04 0.2863793984E+00 0.6225013771E+02 0.5588549221E+00 0.5835753141E+00 0.2390817297E+02 0.4977673218E+00 0.2463134378E+00 Rh SP 0.8249225332E+02 -0.8888858782E-01 -0.2580363992E-01 0.2469916417E+02 -0.2026189326E+00 0.1591409820E+00 0.9796701532E+01 0.5450886531E+00 0.6284124830E+00 0.4355320338E+01 0.6517016167E+00 0.3009838577E+00 Rh SP 0.8759916893E+01 -0.5846878904E-01 -0.6746634036E-01 0.3127111733E+01 -0.4398036149E+00 0.2077927908E-01 0.1393160177E+01 0.5319219322E+00 0.6884538915E+00 0.6829161705E+00 0.8107467608E+00 0.3514817260E+00 Rh SP 0.7894228511E+00 0.4045111204E-01 -0.8586149653E-01 0.3643270993E+00 -0.6576691017E+00 -0.1090154130E+00 0.1614175328E+00 0.3792524265E+00 0.7234042096E+00 0.8790465333E-01 0.1038589734E+01 0.4117428940E+00 Rh D 0.8249225332E+02 0.6920772426E-01 0.2469916417E+02 0.3728157695E+00 0.9796701532E+01 0.5664092659E+00 0.4355320338E+01 0.1585946537E+00 Rh D 0.5361187511E+01 0.3869942210E-02 0.1913834637E+01 0.2976123998E+00 0.8526328539E+00 0.6203734570E+00 0.4179539245E+00 0.1735534933E+00 #BASIS SET: (20s,16p,8d) -> [5s,4p,2d] Pd S 0.1064407867E+05 0.5675242080E-01 0.1947735257E+04 0.2601413550E+00 0.5411021822E+03 0.5328461143E+00 0.1795869499E+03 0.2916254405E+00 Pd SP 0.9266153567E+03 -0.6220714565E-01 0.4368434884E-01 0.2005923425E+03 0.2976804596E-04 0.2863793984E+00 0.6522016714E+02 0.5588549221E+00 0.5835753141E+00 0.2504886085E+02 0.4977673218E+00 0.2463134378E+00 Pd SP 0.8798454081E+02 -0.8888858782E-01 -0.2580363992E-01 0.2634362052E+02 -0.2026189326E+00 0.1591409820E+00 0.1044896037E+02 0.5450886531E+00 0.6284124830E+00 0.4645295098E+01 0.6517016167E+00 0.3009838577E+00 Pd SP 0.9489605931E+01 -0.5846878904E-01 -0.6746634036E-01 0.3387595842E+01 -0.4398036149E+00 0.2077927908E-01 0.1509208505E+01 0.5319219322E+00 0.6884538915E+00 0.7398021489E+00 0.8107467608E+00 0.3514817260E+00 Pd SP 0.8351771552E+00 0.4045111204E-01 -0.8586149653E-01 0.3854432006E+00 -0.6576691017E+00 -0.1090154130E+00 0.1707731612E+00 0.3792524265E+00 0.7234042096E+00 0.9299953527E-01 0.1038589734E+01 0.4117428940E+00 Pd D 0.8798454081E+02 0.6920772426E-01 0.2634362052E+02 0.3728157695E+00 0.1044896037E+02 0.5664092659E+00 0.4645295098E+01 0.1585946537E+00 Pd D 0.5837512299E+01 0.3869942210E-02 0.2083872875E+01 0.2976123998E+00 0.9283866235E+00 0.6203734570E+00 0.4550878271E+00 0.1735534933E+00 #BASIS SET: (20s,16p,8d) -> [5s,4p,2d] Ag S 0.1111095287E+05 0.5675242080E-01 0.2033167483E+04 0.2601413550E+00 0.5648361901E+03 0.5328461143E+00 0.1874640538E+03 0.2916254405E+00 Ag SP 0.9697953490E+03 -0.6220714565E-01 0.4368434884E-01 0.2099398843E+03 0.2976804596E-04 0.2863793984E+00 0.6825940699E+02 0.5588549221E+00 0.5835753141E+00 0.2621613011E+02 0.4977673218E+00 0.2463134378E+00 Ag SP 0.9365382044E+02 -0.8888858782E-01 -0.2580363992E-01 0.2804107044E+02 -0.2026189326E+00 0.1591409820E+00 0.1112223863E+02 0.5450886531E+00 0.6284124830E+00 0.4944614463E+01 0.6517016167E+00 0.3009838577E+00 Ag SP 0.1020555700E+02 -0.5846878904E-01 -0.6746634036E-01 0.3643175775E+01 -0.4398036149E+00 0.2077927908E-01 0.1623071972E+01 0.5319219322E+00 0.6884538915E+00 0.7956171258E+00 0.8107467608E+00 0.3514817260E+00 Ag SP 0.8351771552E+00 0.4045111204E-01 -0.8586149653E-01 0.3854432006E+00 -0.6576691017E+00 -0.1090154130E+00 0.1707731612E+00 0.3792524265E+00 0.7234042096E+00 0.9299953527E-01 0.1038589734E+01 0.4117428940E+00 Ag D 0.9365382044E+02 0.6920772426E-01 0.2804107044E+02 0.3728157695E+00 0.1112223863E+02 0.5664092659E+00 0.4944614463E+01 0.1585946537E+00 Ag D 0.6334106227E+01 0.3869942210E-02 0.2261146783E+01 0.2976123998E+00 0.1007363958E+01 0.6203734570E+00 0.4938018957E+00 0.1735534933E+00 #BASIS SET: (20s,16p,8d) -> [5s,4p,2d] Cd S 0.1159276550E+05 0.5675242080E-01 0.2121333259E+04 0.2601413550E+00 0.5893296080E+03 0.5328461143E+00 0.1955931990E+03 0.2916254405E+00 Cd SP 0.1012988121E+04 -0.6220714565E-01 0.4368434884E-01 0.2192901926E+03 0.2976804596E-04 0.2863793984E+00 0.7129954631E+02 0.5588549221E+00 0.5835753141E+00 0.2738374482E+02 0.4977673218E+00 0.2463134378E+00 Cd SP 0.9968564013E+02 -0.8888858782E-01 -0.2580363992E-01 0.2984706917E+02 -0.2026189326E+00 0.1591409820E+00 0.1183857179E+02 0.5450886531E+00 0.6284124830E+00 0.5263074754E+01 0.6517016167E+00 0.3009838577E+00 Cd SP 0.1094754264E+02 -0.5846878904E-01 -0.6746634036E-01 0.3908049524E+01 -0.4398036149E+00 0.2077927908E-01 0.1741075929E+01 0.5319219322E+00 0.6884538915E+00 0.8534617382E+00 0.8107467608E+00 0.3514817260E+00 Cd SP 0.1136768906E+01 0.4045111204E-01 -0.8586149653E-01 0.5246310230E+00 -0.6576691017E+00 -0.1090154130E+00 0.2324412472E+00 0.3792524265E+00 0.7234042096E+00 0.1265827008E+00 0.1038589734E+01 0.4117428940E+00 Cd D 0.9968564013E+02 0.6920772426E-01 0.2984706917E+02 0.3728157695E+00 0.1183857179E+02 0.5664092659E+00 0.5263074754E+01 0.1585946537E+00 Cd D 0.7027761238E+01 0.3869942210E-02 0.2508767479E+01 0.2976123998E+00 0.1117681504E+01 0.6203734570E+00 0.5478786899E+00 0.1735534933E+00 #BASIS SET: (20s,16p,8d) -> [5s,4p,2d] In S 0.1207978298E+05 0.5675242080E-01 0.2210451457E+04 0.2601413550E+00 0.6140876193E+03 0.5328461143E+00 0.2038101604E+03 0.2916254405E+00 In SP 0.1057121911E+04 -0.6220714565E-01 0.4368434884E-01 0.2288442113E+03 0.2976804596E-04 0.2863793984E+00 0.7440591960E+02 0.5588549221E+00 0.5835753141E+00 0.2857679776E+02 0.4977673218E+00 0.2463134378E+00 In SP 0.1060971114E+03 -0.8888858782E-01 -0.2580363992E-01 0.3176674012E+02 -0.2026189326E+00 0.1591409820E+00 0.1259999203E+02 0.5450886531E+00 0.6284124830E+00 0.5601579404E+01 0.6517016167E+00 0.3009838577E+00 In SP 0.9739321735E+01 -0.5846878904E-01 -0.6746634036E-01 0.3476739293E+01 -0.4398036149E+00 0.2077927908E-01 0.1548922821E+01 0.5319219322E+00 0.6884538915E+00 0.7592697948E+00 0.8107467608E+00 0.3514817260E+00 In SP 0.1083281480E+01 0.4045111204E-01 -0.8586149653E-01 0.4999460032E+00 -0.6576691017E+00 -0.1090154130E+00 0.2215043858E+00 0.3792524265E+00 0.7234042096E+00 0.1206267120E+00 0.1038589734E+01 0.4117428940E+00 In D 0.1060971114E+03 0.6920772426E-01 0.3176674012E+02 0.3728157695E+00 0.1259999203E+02 0.5664092659E+00 0.5601579404E+01 0.1585946537E+00 In D 0.9739321735E+01 0.3869942210E-02 0.3476739293E+01 0.2976123998E+00 0.1548922821E+01 0.6203734570E+00 0.7592697948E+00 0.1735534933E+00 #BASIS SET: (20s,16p,8d) -> [5s,4p,2d] Sn S 0.1257682097E+05 0.5675242080E-01 0.2301403286E+04 0.2601413550E+00 0.6393550333E+03 0.5328461143E+00 0.2121961879E+03 0.2916254405E+00 Sn SP 0.1103209071E+04 -0.6220714565E-01 0.4368434884E-01 0.2388210926E+03 0.2976804596E-04 0.2863793984E+00 0.7764978153E+02 0.5588549221E+00 0.5835753141E+00 0.2982265545E+02 0.4977673218E+00 0.2463134378E+00 Sn SP 0.1121170049E+03 -0.8888858782E-01 -0.2580363992E-01 0.3356916799E+02 -0.2026189326E+00 0.1591409820E+00 0.1331490885E+02 0.5450886531E+00 0.6284124830E+00 0.5919410029E+01 0.6517016167E+00 0.3009838577E+00 Sn SP 0.1077061557E+02 -0.5846878904E-01 -0.6746634036E-01 0.3844890168E+01 -0.4398036149E+00 0.2077927908E-01 0.1712937792E+01 0.5319219322E+00 0.6884538915E+00 0.8396686442E+00 0.8107467608E+00 0.3514817260E+00 Sn SP 0.1191545185E+01 0.4045111204E-01 -0.8586149653E-01 0.5499108626E+00 -0.6576691017E+00 -0.1090154130E+00 0.2436416475E+00 0.3792524265E+00 0.7234042096E+00 0.1326822073E+00 0.1038589734E+01 0.4117428940E+00 Sn D 0.1121170049E+03 0.6920772426E-01 0.3356916799E+02 0.3728157695E+00 0.1331490885E+02 0.5664092659E+00 0.5919410029E+01 0.1585946537E+00 Sn D 0.1077061557E+02 0.3869942210E-02 0.3844890168E+01 0.2976123998E+00 0.1712937792E+01 0.6203734570E+00 0.8396686442E+00 0.1735534933E+00 #BASIS SET: (20s,16p,8d) -> [5s,4p,2d] Sb S 0.1308387948E+05 0.5675242080E-01 0.2394188746E+04 0.2601413550E+00 0.6651318501E+03 0.5328461143E+00 0.2207512817E+03 0.2916254405E+00 Sb SP 0.1150279538E+04 -0.6220714565E-01 0.4368434884E-01 0.2490108386E+03 0.2976804596E-04 0.2863793984E+00 0.8096285388E+02 0.5588549221E+00 0.5835753141E+00 0.3109509451E+02 0.4977673218E+00 0.2463134378E+00 Sb SP 0.1185053151E+03 -0.8888858782E-01 -0.2580363992E-01 0.3548190424E+02 -0.2026189326E+00 0.1591409820E+00 0.1407357849E+02 0.5450886531E+00 0.6284124830E+00 0.6256691850E+01 0.6517016167E+00 0.3009838577E+00 Sb SP 0.1180762982E+02 -0.5846878904E-01 -0.6746634036E-01 0.4215083109E+01 -0.4398036149E+00 0.2077927908E-01 0.1877862523E+01 0.5319219322E+00 0.6884538915E+00 0.9205134517E+00 0.8107467608E+00 0.3514817260E+00 Sb SP 0.1247610318E+01 0.4045111204E-01 -0.8586149653E-01 0.5757855219E+00 -0.6576691017E+00 -0.1090154130E+00 0.2551055865E+00 0.3792524265E+00 0.7234042096E+00 0.1389252317E+00 0.1038589734E+01 0.4117428940E+00 Sb D 0.1185053151E+03 0.6920772426E-01 0.3548190424E+02 0.3728157695E+00 0.1407357849E+02 0.5664092659E+00 0.6256691850E+01 0.1585946537E+00 Sb D 0.1180762982E+02 0.3869942210E-02 0.4215083109E+01 0.2976123998E+00 0.1877862523E+01 0.6203734570E+00 0.9205134517E+00 0.1735534933E+00 #BASIS SET: (20s,16p,8d) -> [5s,4p,2d] Te S 0.1360628647E+05 0.5675242080E-01 0.2489782788E+04 0.2601413550E+00 0.6916889218E+03 0.5328461143E+00 0.2295653350E+03 0.2916254405E+00 Te SP 0.1198333312E+04 -0.6220714565E-01 0.4368434884E-01 0.2594134495E+03 0.2976804596E-04 0.2863793984E+00 0.8434513664E+02 0.5588549221E+00 0.5835753141E+00 0.3239411495E+02 0.4977673218E+00 0.2463134378E+00 Te SP 0.1250706175E+03 -0.8888858782E-01 -0.2580363992E-01 0.3744763404E+02 -0.2026189326E+00 0.1591409820E+00 0.1485326756E+02 0.5450886531E+00 0.6284124830E+00 0.6603318276E+01 0.6517016167E+00 0.3009838577E+00 Te SP 0.1294053961E+02 -0.5846878904E-01 -0.6746634036E-01 0.4619508808E+01 -0.4398036149E+00 0.2077927908E-01 0.2058038298E+01 0.5319219322E+00 0.6884538915E+00 0.1008834200E+01 0.8107467608E+00 0.3514817260E+00 Te SP 0.1339995347E+01 0.4045111204E-01 -0.8586149653E-01 0.6184222018E+00 -0.6576691017E+00 -0.1090154130E+00 0.2739960498E+00 0.3792524265E+00 0.7234042096E+00 0.1492125877E+00 0.1038589734E+01 0.4117428940E+00 Te D 0.1250706175E+03 0.6920772426E-01 0.3744763404E+02 0.3728157695E+00 0.1485326756E+02 0.5664092659E+00 0.6603318276E+01 0.1585946537E+00 Te D 0.1294053961E+02 0.3869942210E-02 0.4619508808E+01 0.2976123998E+00 0.2058038298E+01 0.6203734570E+00 0.1008834200E+01 0.1735534933E+00 #BASIS SET: (20s,16p,8d) -> [5s,4p,2d] I S 0.1413348825E+05 0.5675242080E-01 0.2586254220E+04 0.2601413550E+00 0.7184897419E+03 0.5328461143E+00 0.2384602863E+03 0.2916254405E+00 I SP 0.1247370392E+04 -0.6220714565E-01 0.4368434884E-01 0.2700289253E+03 0.2976804596E-04 0.2863793984E+00 0.8779662981E+02 0.5588549221E+00 0.5835753141E+00 0.3371971677E+02 0.4977673218E+00 0.2463134378E+00 I SP 0.1318129120E+03 -0.8888858782E-01 -0.2580363992E-01 0.3946635740E+02 -0.2026189326E+00 0.1591409820E+00 0.1565397604E+02 0.5450886531E+00 0.6284124830E+00 0.6959289306E+01 0.6517016167E+00 0.3009838577E+00 I SP 0.1407493581E+02 -0.5846878904E-01 -0.6746634036E-01 0.5024465122E+01 -0.4398036149E+00 0.2077927908E-01 0.2238450467E+01 0.5319219322E+00 0.6884538915E+00 0.1097270828E+01 0.8107467608E+00 0.3514817260E+00 I SP 0.1509608485E+01 0.4045111204E-01 -0.8586149653E-01 0.6967004815E+00 -0.6576691017E+00 -0.1090154130E+00 0.3086777597E+00 0.3792524265E+00 0.7234042096E+00 0.1680995304E+00 0.1038589734E+01 0.4117428940E+00 I D 0.1318129120E+03 0.6920772426E-01 0.3946635740E+02 0.3728157695E+00 0.1565397604E+02 0.5664092659E+00 0.6959289306E+01 0.1585946537E+00 I D 0.1407493581E+02 0.3869942210E-02 0.5024465122E+01 0.2976123998E+00 0.2238450467E+01 0.6203734570E+00 0.1097270828E+01 0.1735534933E+00 #BASIS SET: (20s,16p,8d) -> [5s,4p,2d] Xe S 0.1467071056E+05 0.5675242080E-01 0.2684559283E+04 0.2601413550E+00 0.7457999648E+03 0.5328461143E+00 0.2475243038E+03 0.2916254405E+00 Xe SP 0.1297390779E+04 -0.6220714565E-01 0.4368434884E-01 0.2808572658E+03 0.2976804596E-04 0.2863793984E+00 0.9131733340E+02 0.5588549221E+00 0.5835753141E+00 0.3507189996E+02 0.4977673218E+00 0.2463134378E+00 Xe SP 0.1385132919E+03 -0.8888858782E-01 -0.2580363992E-01 0.4147253102E+02 -0.2026189326E+00 0.1591409820E+00 0.1644970678E+02 0.5450886531E+00 0.6284124830E+00 0.7313047380E+01 0.6517016167E+00 0.3009838577E+00 Xe SP 0.1525698701E+02 -0.5846878904E-01 -0.6746634036E-01 0.5446433300E+01 -0.4398036149E+00 0.2077927908E-01 0.2426441595E+01 0.5319219322E+00 0.6884538915E+00 0.1189422601E+01 0.8107467608E+00 0.3514817260E+00 Xe SP 0.1702549874E+01 0.4045111204E-01 -0.8586149653E-01 0.7857449986E+00 -0.6576691017E+00 -0.1090154130E+00 0.3481295224E+00 0.3792524265E+00 0.7234042096E+00 0.1895841452E+00 0.1038589734E+01 0.4117428940E+00 Xe D 0.1385132919E+03 0.6920772426E-01 0.4147253102E+02 0.3728157695E+00 0.1644970678E+02 0.5664092659E+00 0.7313047380E+01 0.1585946537E+00 Xe D 0.1525698701E+02 0.3869942210E-02 0.5446433300E+01 0.2976123998E+00 0.2426441595E+01 0.6203734570E+00 0.1189422601E+01 0.1735534933E+00 END