#---------------------------------------------------------------------- # Basis Set Exchange # Version v0.9.1 # https://www.basissetexchange.org #---------------------------------------------------------------------- # Basis set: STO-5G # Description: STO-5G Minimal Basis (5 functions/AO) # Role: orbital # Version: 1 (Data from Gaussian09) #---------------------------------------------------------------------- BASIS "ao basis" SPHERICAL PRINT #BASIS SET: (5s) -> [1s] H S 0.1738354739E+02 0.2214055312E-01 0.3185489246E+01 0.1135411520E+00 0.8897299079E+00 0.3318161484E+00 0.3037874103E+00 0.4825700713E+00 0.1144784984E+00 0.1935721966E+00 #BASIS SET: (5s) -> [1s] He S 0.3229002972E+02 0.2214055312E-01 0.5917062849E+01 0.1135411520E+00 0.1652677933E+01 0.3318161484E+00 0.5642866953E+00 0.4825700713E+00 0.2126444063E+00 0.1935721966E+00 #BASIS SET: (10s,5p) -> [2s,1p] Li S 0.8180871961E+02 0.2214055312E-01 0.1499123227E+02 0.1135411520E+00 0.4187158290E+01 0.3318161484E+00 0.1429654058E+01 0.4825700713E+00 0.5387473088E+00 0.1935721966E+00 Li SP 0.3223228319E+01 -0.2940855088E-01 0.1255609128E-01 0.6608022253E+00 -0.6532746883E-01 0.1075576962E+00 0.2105982926E+00 0.1289973181E+00 0.3735975367E+00 0.8186880800E-01 0.6122899938E+00 0.5102395637E+00 0.3487671327E-01 0.3461205655E+00 0.1568281801E+00 #BASIS SET: (10s,5p) -> [2s,1p] Be S 0.1531054580E+03 0.2214055312E-01 0.2805617168E+02 0.1135411520E+00 0.7836289220E+01 0.3318161484E+00 0.2675605246E+01 0.4825700713E+00 0.1008268481E+01 0.1935721966E+00 Be SP 0.6660499143E+01 -0.2940855088E-01 0.1255609128E-01 0.1365485848E+01 -0.6532746883E-01 0.1075576962E+00 0.4351816281E+00 0.1289973181E+00 0.3735975367E+00 0.1691742165E+00 0.6122899938E+00 0.5102395637E+00 0.7206945827E-01 0.3461205655E+00 0.1568281801E+00 #BASIS SET: (10s,5p) -> [2s,1p] B S 0.2476205830E+03 0.2214055312E-01 0.4537581925E+02 0.1135411520E+00 0.1267379054E+02 0.3318161484E+00 0.4327310989E+01 0.4825700713E+00 0.1630693199E+01 0.1935721966E+00 B SP 0.1133166206E+02 -0.2940855088E-01 0.1255609128E-01 0.2323132823E+01 -0.6532746883E-01 0.1075576962E+00 0.7403846225E+00 0.1289973181E+00 0.3735975367E+00 0.2878200281E+00 0.6122899938E+00 0.5102395637E+00 0.1226134451E+00 0.3461205655E+00 0.1568281801E+00 #BASIS SET: (10s,5p) -> [2s,1p] C S 0.3634637921E+03 0.2214055312E-01 0.6660378202E+02 0.1135411520E+00 0.1860291222E+02 0.3318161484E+00 0.6351737172E+01 0.4825700713E+00 0.2393572968E+01 0.1935721966E+00 C SP 0.1489937290E+02 -0.2940855088E-01 0.1255609128E-01 0.3054558286E+01 -0.6532746883E-01 0.1075576962E+00 0.9734906076E+00 0.1289973181E+00 0.3735975367E+00 0.3784385650E+00 0.6122899938E+00 0.5102395637E+00 0.1612176071E+00 0.3461205655E+00 0.1568281801E+00 #BASIS SET: (10s,5p) -> [2s,1p] N S 0.5029753521E+03 0.2214055312E-01 0.9216890774E+02 0.1135411520E+00 0.2574343451E+02 0.3318161484E+00 0.8789781296E+01 0.4825700713E+00 0.3312319502E+01 0.1935721966E+00 N SP 0.1915050888E+02 -0.2940855088E-01 0.1255609128E-01 0.3926094471E+01 -0.6532746883E-01 0.1075576962E+00 0.1251250012E+01 0.1289973181E+00 0.3735975367E+00 0.4864158475E+00 0.6122899938E+00 0.5102395637E+00 0.2072167222E+00 0.3461205655E+00 0.1568281801E+00 #BASIS SET: (10s,5p) -> [2s,1p] O S 0.6633650320E+03 0.2214055312E-01 0.1215598939E+03 0.1135411520E+00 0.3395254695E+02 0.3318161484E+00 0.1159268248E+02 0.4825700713E+00 0.4368557869E+01 0.1935721966E+00 O SP 0.2549623963E+02 -0.2940855088E-01 0.1255609128E-01 0.5227048852E+01 -0.6532746883E-01 0.1075576962E+00 0.1665865401E+01 0.1289973181E+00 0.3735975367E+00 0.6475950633E+00 0.6122899938E+00 0.5102395637E+00 0.2758802514E+00 0.3461205655E+00 0.1568281801E+00 #BASIS SET: (10s,5p) -> [2s,1p] F S 0.8459160214E+03 0.2214055312E-01 0.1550118816E+03 0.1135411520E+00 0.4329592614E+02 0.3318161484E+00 0.1478286519E+02 0.4825700713E+00 0.5570738452E+01 0.1935721966E+00 F SP 0.3274850335E+02 -0.2940855088E-01 0.1255609128E-01 0.6713853859E+01 -0.6532746883E-01 0.1075576962E+00 0.2139711559E+01 0.1289973181E+00 0.3735975367E+00 0.8317998813E+00 0.6122899938E+00 0.5102395637E+00 0.3543528563E+00 0.3461205655E+00 0.1568281801E+00 #BASIS SET: (10s,5p) -> [2s,1p] Ne S 0.1050628320E+04 0.2214055312E-01 0.1925248709E+03 0.1135411520E+00 0.5377357209E+02 0.3318161484E+00 0.1836032943E+02 0.4825700713E+00 0.6918861252E+01 0.1935721966E+00 Ne SP 0.4177303901E+02 -0.2940855088E-01 0.1255609128E-01 0.8563996840E+01 -0.6532746883E-01 0.1075576962E+00 0.2729353872E+01 0.1289973181E+00 0.3735975367E+00 0.1061019752E+01 0.6122899938E+00 0.5102395637E+00 0.4520022039E+00 0.3461205655E+00 0.1568281801E+00 #BASIS SET: (15s,10p) -> [3s,2p] Na S 0.1272699294E+04 0.2214055312E-01 0.2332187916E+03 0.1135411520E+00 0.6513967493E+02 0.3318161484E+00 0.2224114642E+02 0.4825700713E+00 0.8381298755E+01 0.1935721966E+00 Na SP 0.6099153786E+02 -0.2940855088E-01 0.1255609128E-01 0.1250403011E+02 -0.6532746883E-01 0.1075576962E+00 0.3985046192E+01 0.1289973181E+00 0.3735975367E+00 0.1549162519E+01 0.6122899938E+00 0.5102395637E+00 0.6599546068E+00 0.3461205655E+00 0.1568281801E+00 Na SP 0.5234160081E+01 -0.2662203391E-01 -0.1566883448E-01 0.1425362710E+01 -0.1603484072E+00 0.7214920506E-02 0.5466958003E+00 -0.4779473307E-01 0.3170854762E+00 0.2470647433E+00 0.7275158441E+00 0.5818821382E+00 0.1198867386E+00 0.4123846408E+00 0.1701799824E+00 #BASIS SET: (15s,10p) -> [3s,2p] Mg S 0.1518664732E+04 0.2214055312E-01 0.2782913099E+03 0.1135411520E+00 0.7772875133E+02 0.3318161484E+00 0.2653953280E+02 0.4825700713E+00 0.1000109208E+02 0.1935721966E+00 Mg SP 0.7660203551E+02 -0.2940855088E-01 0.1255609128E-01 0.1570437789E+02 -0.6532746883E-01 0.1075576962E+00 0.5005000048E+01 0.1289973181E+00 0.3735975367E+00 0.1945663390E+01 0.6122899938E+00 0.5102395637E+00 0.8288668887E+00 0.3461205655E+00 0.1568281801E+00 Mg SP 0.4939338003E+01 -0.2662203391E-01 -0.1566883448E-01 0.1345076974E+01 -0.1603484072E+00 0.7214920506E-02 0.5159023226E+00 -0.4779473307E-01 0.3170854762E+00 0.2331484435E+00 0.7275158441E+00 0.5818821382E+00 0.1131339345E+00 0.4123846408E+00 0.1701799824E+00 #BASIS SET: (15s,10p) -> [3s,2p] Al S 0.1783504931E+04 0.2214055312E-01 0.3268225783E+03 0.1135411520E+00 0.9128388138E+02 0.3318161484E+00 0.3116776640E+02 0.4825700713E+00 0.1174518421E+02 0.1935721966E+00 Al SP 0.9573793914E+02 -0.2940855088E-01 0.1255609128E-01 0.1962747810E+02 -0.6532746883E-01 0.1075576962E+00 0.6255295786E+01 0.1289973181E+00 0.3735975367E+00 0.2431708270E+01 0.6122899938E+00 0.5102395637E+00 0.1035925576E+01 0.3461205655E+00 0.1568281801E+00 Al SP 0.4939338003E+01 -0.2662203391E-01 -0.1566883448E-01 0.1345076974E+01 -0.1603484072E+00 0.7214920506E-02 0.5159023226E+00 -0.4779473307E-01 0.3170854762E+00 0.2331484435E+00 0.7275158441E+00 0.5818821382E+00 0.1131339345E+00 0.4123846408E+00 0.1701799824E+00 #BASIS SET: (15s,10p) -> [3s,2p] Si S 0.2069620077E+04 0.2214055312E-01 0.3792524248E+03 0.1135411520E+00 0.1059279121E+03 0.3318161484E+00 0.3616779185E+02 0.4825700713E+00 0.1362938147E+02 0.1935721966E+00 Si SP 0.1174912049E+03 -0.2940855088E-01 0.1255609128E-01 0.2408717036E+02 -0.6532746883E-01 0.1075576962E+00 0.7676603919E+01 0.1289973181E+00 0.3735975367E+00 0.2984233180E+01 0.6122899938E+00 0.5102395637E+00 0.1271305244E+01 0.3461205655E+00 0.1568281801E+00 Si SP 0.5234160081E+01 -0.2662203391E-01 -0.1566883448E-01 0.1425362710E+01 -0.1603484072E+00 0.7214920506E-02 0.5466958003E+00 -0.4779473307E-01 0.3170854762E+00 0.2470647433E+00 0.7275158441E+00 0.5818821382E+00 0.1198867386E+00 0.4123846408E+00 0.1701799824E+00 #BASIS SET: (15s,10p) -> [3s,2p] P S 0.2377010171E+04 0.2214055312E-01 0.4355808494E+03 0.1135411520E+00 0.1216608436E+03 0.3318161484E+00 0.4153960915E+02 0.4825700713E+00 0.1565368385E+02 0.1935721966E+00 P SP 0.1420038562E+03 -0.2940855088E-01 0.1255609128E-01 0.2911257129E+02 -0.6532746883E-01 0.1075576962E+00 0.9278203935E+01 0.1289973181E+00 0.3735975367E+00 0.3606845464E+01 0.6122899938E+00 0.5102395637E+00 0.1536542648E+01 0.3461205655E+00 0.1568281801E+00 P SP 0.6169899721E+01 -0.2662203391E-01 -0.1566883448E-01 0.1680182656E+01 -0.1603484072E+00 0.7214920506E-02 0.6444316210E+00 -0.4779473307E-01 0.3170854762E+00 0.2912338689E+00 0.7275158441E+00 0.5818821382E+00 0.1413195514E+00 0.4123846408E+00 0.1701799824E+00 #BASIS SET: (15s,10p) -> [3s,2p] S S 0.2705675212E+04 0.2214055312E-01 0.4958078521E+03 0.1135411520E+00 0.1384826758E+03 0.3318161484E+00 0.4728321830E+02 0.4825700713E+00 0.1781809135E+02 0.1935721966E+00 S SP 0.1688372320E+03 -0.2940855088E-01 0.1255609128E-01 0.3461374981E+02 -0.6532746883E-01 0.1075576962E+00 0.1103143472E+02 0.1289973181E+00 0.3735975367E+00 0.4288403291E+01 0.6122899938E+00 0.5102395637E+00 0.1826891286E+01 0.3461205655E+00 0.1568281801E+00 S SP 0.7182549467E+01 -0.2662203391E-01 -0.1566883448E-01 0.1955946707E+01 -0.1603484072E+00 0.7214920506E-02 0.7502005228E+00 -0.4779473307E-01 0.3170854762E+00 0.3390333335E+00 0.7275158441E+00 0.5818821382E+00 0.1645139653E+00 0.4123846408E+00 0.1701799824E+00 #BASIS SET: (15s,10p) -> [3s,2p] Cl S 0.3051899039E+04 0.2214055312E-01 0.5592524558E+03 0.1135411520E+00 0.1562032070E+03 0.3318161484E+00 0.5333367723E+02 0.4825700713E+00 0.2009813137E+02 0.1935721966E+00 Cl SP 0.1973602845E+03 -0.2940855088E-01 0.1255609128E-01 0.4046133326E+02 -0.6532746883E-01 0.1075576962E+00 0.1289506508E+02 0.1289973181E+00 0.3735975367E+00 0.5012878282E+01 0.6122899938E+00 0.5102395637E+00 0.2135522951E+01 0.3461205655E+00 0.1568281801E+00 Cl SP 0.7537190517E+01 -0.2662203391E-01 -0.1566883448E-01 0.2052522303E+01 -0.1603484072E+00 0.7214920506E-02 0.7872419525E+00 -0.4779473307E-01 0.3170854762E+00 0.3557732304E+00 0.7275158441E+00 0.5818821382E+00 0.1726369035E+00 0.4123846408E+00 0.1701799824E+00 #BASIS SET: (15s,10p) -> [3s,2p] Ar S 0.3422894646E+04 0.2214055312E-01 0.6272364232E+03 0.1135411520E+00 0.1751916148E+03 0.3318161484E+00 0.5981703717E+02 0.4825700713E+00 0.2254130474E+02 0.1935721966E+00 Ar SP 0.2287867606E+03 -0.2940855088E-01 0.1255609128E-01 0.4690415495E+02 -0.6532746883E-01 0.1075576962E+00 0.1494839843E+02 0.1289973181E+00 0.3735975367E+00 0.5811099160E+01 0.6122899938E+00 0.5102395637E+00 0.2475570906E+01 0.3461205655E+00 0.1568281801E+00 Ar SP 0.9278606258E+01 -0.2662203391E-01 -0.1566883448E-01 0.2526743386E+01 -0.1603484072E+00 0.7214920506E-02 0.9691287610E+00 -0.4779473307E-01 0.3170854762E+00 0.4379721747E+00 0.7275158441E+00 0.5818821382E+00 0.2125234661E+00 0.4123846408E+00 0.1701799824E+00 #BASIS SET: (20s,15p) -> [4s,3p] K S 0.3915504990E+04 0.2214055312E-01 0.7175059705E+03 0.1135411520E+00 0.2004045444E+03 0.3318161484E+00 0.6842568404E+02 0.4825700713E+00 0.2578536599E+02 0.1935721966E+00 K SP 0.2654509827E+03 -0.2940855088E-01 0.1255609128E-01 0.5442078026E+02 -0.6532746883E-01 0.1075576962E+00 0.1734395401E+02 0.1289973181E+00 0.3735975367E+00 0.6742356851E+01 0.6122899938E+00 0.5102395637E+00 0.2872293519E+01 0.3461205655E+00 0.1568281801E+00 K SP 0.1292517081E+02 -0.2662203391E-01 -0.1566883448E-01 0.3519773224E+01 -0.1603484072E+00 0.7214920506E-02 0.1350003915E+01 -0.4779473307E-01 0.3170854762E+00 0.6100986519E+00 0.7275158441E+00 0.5818821382E+00 0.2960468442E+00 0.4123846408E+00 0.1701799824E+00 K SP 0.1606834206E+01 -0.1628249797E-02 -0.2399519595E-01 0.5492495032E+00 -0.2138931336E+00 -0.8118321551E-01 0.2363252028E+00 -0.3039583456E+00 0.2238628944E+00 0.1194195085E+00 0.8491175450E+00 0.6726900408E+00 0.6303714921E-01 0.5164147260E+00 0.2003802746E+00 #BASIS SET: (20s,15p) -> [4s,3p] Ca S 0.4334314397E+04 0.2214055312E-01 0.7942516907E+03 0.1135411520E+00 0.2218401724E+03 0.3318161484E+00 0.7574461742E+02 0.4825700713E+00 0.2854341479E+02 0.1935721966E+00 Ca SP 0.3017123013E+03 -0.2940855088E-01 0.1255609128E-01 0.6185480530E+02 -0.6532746883E-01 0.1075576962E+00 0.1971318480E+02 0.1289973181E+00 0.3735975367E+00 0.7663380941E+01 0.6122899938E+00 0.5102395637E+00 0.3264656543E+01 0.3461205655E+00 0.1568281801E+00 Ca SP 0.1548473919E+02 -0.2662203391E-01 -0.1566883448E-01 0.4216793042E+01 -0.1603484072E+00 0.7214920506E-02 0.1617344856E+01 -0.4779473307E-01 0.3170854762E+00 0.7309163367E+00 0.7275158441E+00 0.5818821382E+00 0.3546729273E+00 0.4123846408E+00 0.1701799824E+00 Ca SP 0.1453372071E+01 -0.1628249797E-02 -0.2399519595E-01 0.4967929391E+00 -0.2138931336E+00 -0.8118321551E-01 0.2137547533E+00 -0.3039583456E+00 0.2238628944E+00 0.1080142417E+00 0.8491175450E+00 0.6726900408E+00 0.5701673000E-01 0.5164147260E+00 0.2003802746E+00 #BASIS SET: (20s,15p,5d) -> [4s,3p,1d] Sc S 0.4779046500E+04 0.2214055312E-01 0.8757476763E+03 0.1135411520E+00 0.2446025835E+03 0.3318161484E+00 0.8351656469E+02 0.4825700713E+00 0.3147217623E+02 0.1935721966E+00 Sc SP 0.3402943443E+03 -0.2940855088E-01 0.1255609128E-01 0.6976460794E+02 -0.6532746883E-01 0.1075576962E+00 0.2223404637E+02 0.1289973181E+00 0.3735975367E+00 0.8643350573E+01 0.6122899938E+00 0.5102395637E+00 0.3682130801E+01 0.3461205655E+00 0.1568281801E+00 Sc SP 0.1607451907E+02 -0.2996084888E-01 -0.1665118735E-01 0.4729152917E+01 -0.1549045468E+00 0.9090216381E-02 0.1873476498E+01 -0.5893272205E-01 0.2985627271E+00 0.8547422867E+00 0.7044187060E+00 0.5832013194E+00 0.4131419683E+00 0.4445303313E+00 0.1867090309E+00 Sc SP 0.2011587641E+01 -0.1628249797E-02 -0.2399519595E-01 0.6876026839E+00 -0.2138931336E+00 -0.8118321551E-01 0.2958543299E+00 -0.3039583456E+00 0.2238628944E+00 0.1495006806E+00 0.8491175450E+00 0.6726900408E+00 0.7891588928E-01 0.5164147260E+00 0.2003802746E+00 Sc D 0.1887614452E+01 0.2129970709E-01 0.5553396249E+00 0.1576724301E+00 0.2200004428E+00 0.4485166191E+00 0.1003715188E+00 0.4495368546E+00 0.4851484183E-01 0.9122489728E-01 #BASIS SET: (20s,15p,5d) -> [4s,3p,1d] Ti S 0.5245494469E+04 0.2214055312E-01 0.9612230375E+03 0.1135411520E+00 0.2684764626E+03 0.3318161484E+00 0.9166800913E+02 0.4825700713E+00 0.3454394644E+02 0.1935721966E+00 Ti SP 0.3811971116E+03 -0.2940855088E-01 0.1255609128E-01 0.7815018817E+02 -0.6532746883E-01 0.1075576962E+00 0.2490653870E+02 0.1289973181E+00 0.3735975367E+00 0.9682265746E+01 0.6122899938E+00 0.5102395637E+00 0.4124716292E+01 0.3461205655E+00 0.1568281801E+00 Ti SP 0.1846055734E+02 -0.2996084888E-01 -0.1665118735E-01 0.5431129740E+01 -0.1549045468E+00 0.9090216381E-02 0.2151567967E+01 -0.5893272205E-01 0.2985627271E+00 0.9816168635E+00 0.7044187060E+00 0.5832013194E+00 0.4744671341E+00 0.4445303313E+00 0.1867090309E+00 Ti SP 0.2270893861E+01 -0.1628249797E-02 -0.2399519595E-01 0.7762389674E+00 -0.2138931336E+00 -0.8118321551E-01 0.3339918021E+00 -0.3039583456E+00 0.2238628944E+00 0.1687722527E+00 0.8491175450E+00 0.6726900408E+00 0.8908864063E-01 0.5164147260E+00 0.2003802746E+00 Ti D 0.5631643118E+01 0.2129970709E-01 0.1656839707E+01 0.1576724301E+00 0.6563649576E+00 0.4485166191E+00 0.2994555230E+00 0.4495368546E+00 0.1447426273E+00 0.9122489728E-01 #BASIS SET: (20s,15p,5d) -> [4s,3p,1d] V S 0.5738751496E+04 0.2214055312E-01 0.1051611088E+04 0.1135411520E+00 0.2937224909E+03 0.3318161484E+00 0.1002879571E+03 0.4825700713E+00 0.3779226639E+02 0.1935721966E+00 V SP 0.4244206034E+03 -0.2940855088E-01 0.1255609128E-01 0.8701154602E+02 -0.6532746883E-01 0.1075576962E+00 0.2773066180E+02 0.1289973181E+00 0.3735975367E+00 0.1078012646E+02 0.6122899938E+00 0.5102395637E+00 0.4592413017E+01 0.3461205655E+00 0.1568281801E+00 V SP 0.2101164487E+02 -0.2996084888E-01 -0.1665118735E-01 0.6181664359E+01 -0.1549045468E+00 0.9090216381E-02 0.2448895838E+01 -0.5893272205E-01 0.2985627271E+00 0.1117267727E+01 0.7044187060E+00 0.5832013194E+00 0.5400343414E+00 0.4445303313E+00 0.1867090309E+00 V SP 0.2270893861E+01 -0.1628249797E-02 -0.2399519595E-01 0.7762389674E+00 -0.2138931336E+00 -0.8118321551E-01 0.3339918021E+00 -0.3039583456E+00 0.2238628944E+00 0.1687722527E+00 0.8491175450E+00 0.6726900408E+00 0.8908864063E-01 0.5164147260E+00 0.2003802746E+00 V D 0.1014397767E+02 0.2129970709E-01 0.2984376786E+01 0.1576724301E+00 0.1182275107E+01 0.4485166191E+00 0.5393932240E+00 0.4495368546E+00 0.2607171562E+00 0.9122489728E-01 #BASIS SET: (20s,15p,5d) -> [4s,3p,1d] Cr S 0.6254169832E+04 0.2214055312E-01 0.1146060139E+04 0.1135411520E+00 0.3201027859E+03 0.3318161484E+00 0.1092951867E+03 0.4825700713E+00 0.4118652855E+02 0.1935721966E+00 Cr SP 0.4699648195E+03 -0.2940855088E-01 0.1255609128E-01 0.9634868146E+02 -0.6532746883E-01 0.1075576962E+00 0.3070641568E+02 0.1289973181E+00 0.3735975367E+00 0.1193693272E+02 0.6122899938E+00 0.5102395637E+00 0.5085220976E+01 0.3461205655E+00 0.1568281801E+00 Cr SP 0.2360625674E+02 -0.2996084888E-01 -0.1665118735E-01 0.6945003916E+01 -0.1549045468E+00 0.9090216381E-02 0.2751296447E+01 -0.5893272205E-01 0.2985627271E+00 0.1255232942E+01 0.7044187060E+00 0.5832013194E+00 0.6067201967E+00 0.4445303313E+00 0.1867090309E+00 Cr SP 0.2406440294E+01 -0.1628249797E-02 -0.2399519595E-01 0.8225715701E+00 -0.2138931336E+00 -0.8118321551E-01 0.3539272989E+00 -0.3039583456E+00 0.2238628944E+00 0.1788460290E+00 0.8491175450E+00 0.6726900408E+00 0.9440621520E-01 0.5164147260E+00 0.2003802746E+00 Cr D 0.1451201111E+02 0.2129970709E-01 0.4269460216E+01 0.1576724301E+00 0.1691367041E+01 0.4485166191E+00 0.7716578956E+00 0.4495368546E+00 0.3729829059E+00 0.9122489728E-01 #BASIS SET: (20s,15p,5d) -> [4s,3p,1d] Mn S 0.6786208585E+04 0.2214055312E-01 0.1243554839E+04 0.1135411520E+00 0.3473337521E+03 0.3318161484E+00 0.1185928675E+03 0.4825700713E+00 0.4469024366E+02 0.1935721966E+00 Mn SP 0.5168089032E+03 -0.2940855088E-01 0.1255609128E-01 0.1059523060E+03 -0.6532746883E-01 0.1075576962E+00 0.3376709989E+02 0.1289973181E+00 0.3735975367E+00 0.1312675513E+02 0.6122899938E+00 0.5102395637E+00 0.5592094059E+01 0.3461205655E+00 0.1568281801E+00 Mn SP 0.2635187776E+02 -0.2996084888E-01 -0.1665118735E-01 0.7752770643E+01 -0.1549045468E+00 0.9090216381E-02 0.3071297091E+01 -0.5893272205E-01 0.2985627271E+00 0.1401227878E+01 0.7044187060E+00 0.5832013194E+00 0.6772872393E+00 0.4445303313E+00 0.1867090309E+00 Mn SP 0.2139276310E+01 -0.1628249797E-02 -0.2399519595E-01 0.7312493386E+00 -0.2138931336E+00 -0.8118321551E-01 0.3146341457E+00 -0.3039583456E+00 0.2238628944E+00 0.1589904698E+00 0.8491175450E+00 0.6726900408E+00 0.8392519866E-01 0.5164147260E+00 0.2003802746E+00 Mn D 0.1856804216E+02 0.2129970709E-01 0.5462751972E+01 0.1576724301E+00 0.2164095265E+01 0.4485166191E+00 0.9873322335E+00 0.4495368546E+00 0.4772296734E+00 0.9122489728E-01 #BASIS SET: (20s,15p,5d) -> [4s,3p,1d] Fe S 0.7345725689E+04 0.2214055312E-01 0.1346084874E+04 0.1135411520E+00 0.3759711234E+03 0.3318161484E+00 0.1283707482E+03 0.4825700713E+00 0.4837491609E+02 0.1935721966E+00 Fe SP 0.5669462197E+03 -0.2940855088E-01 0.1255609128E-01 0.1162310847E+03 -0.6532746883E-01 0.1075576962E+00 0.3704295634E+02 0.1289973181E+00 0.3735975367E+00 0.1440022444E+02 0.6122899938E+00 0.5102395637E+00 0.6134601334E+01 0.3461205655E+00 0.1568281801E+00 Fe SP 0.2924850794E+02 -0.2996084888E-01 -0.1665118735E-01 0.8604964540E+01 -0.1549045468E+00 0.9090216381E-02 0.3408897771E+01 -0.5893272205E-01 0.2985627271E+00 0.1555252536E+01 0.7044187060E+00 0.5832013194E+00 0.7517354693E+00 0.4445303313E+00 0.1867090309E+00 Fe SP 0.1887827855E+01 -0.1628249797E-02 -0.2399519595E-01 0.6452990032E+00 -0.2138931336E+00 -0.8118321551E-01 0.2776523545E+00 -0.3039583456E+00 0.2238628944E+00 0.1403028848E+00 0.8491175450E+00 0.6726900408E+00 0.7406071250E-01 0.5164147260E+00 0.2003802746E+00 Fe D 0.2193766796E+02 0.2129970709E-01 0.6454102046E+01 0.1576724301E+00 0.2556823328E+01 0.4485166191E+00 0.1166507837E+01 0.4495368546E+00 0.5638346803E+00 0.9122489728E-01 #BASIS SET: (20s,15p,5d) -> [4s,3p,1d] Co S 0.7921417768E+04 0.2214055312E-01 0.1451578930E+04 0.1135411520E+00 0.4054363671E+03 0.3318161484E+00 0.1384312958E+03 0.4825700713E+00 0.5216610802E+02 0.1935721966E+00 Co SP 0.6194042606E+03 -0.2940855088E-01 0.1255609128E-01 0.1269856408E+03 -0.6532746883E-01 0.1075576962E+00 0.4047044355E+02 0.1289973181E+00 0.3735975367E+00 0.1573263929E+02 0.6122899938E+00 0.5102395637E+00 0.6702219842E+01 0.3461205655E+00 0.1568281801E+00 Co SP 0.3229614727E+02 -0.2996084888E-01 -0.1665118735E-01 0.9501585608E+01 -0.1549045468E+00 0.9090216381E-02 0.3764098486E+01 -0.5893272205E-01 0.2985627271E+00 0.1717306916E+01 0.7044187060E+00 0.5832013194E+00 0.8300648867E+00 0.4445303313E+00 0.1867090309E+00 Co SP 0.1887827855E+01 -0.1628249797E-02 -0.2399519595E-01 0.6452990032E+00 -0.2138931336E+00 -0.8118321551E-01 0.2776523545E+00 -0.3039583456E+00 0.2238628944E+00 0.1403028848E+00 0.8491175450E+00 0.6726900408E+00 0.7406071250E-01 0.5164147260E+00 0.2003802746E+00 Co D 0.2622380078E+02 0.2129970709E-01 0.7715090161E+01 0.1576724301E+00 0.3056369789E+01 0.4485166191E+00 0.1394417546E+01 0.4495368546E+00 0.6739954472E+00 0.9122489728E-01 #BASIS SET: (20s,15p,5d) -> [4s,3p,1d] Ni S 0.8525033639E+04 0.2214055312E-01 0.1562189947E+04 0.1135411520E+00 0.4363308147E+03 0.3318161484E+00 0.1489798275E+03 0.4825700713E+00 0.5614119073E+02 0.1935721966E+00 Ni SP 0.6730181310E+03 -0.2940855088E-01 0.1255609128E-01 0.1379771566E+03 -0.6532746883E-01 0.1075576962E+00 0.4397344999E+02 0.1289973181E+00 0.3735975367E+00 0.1709441178E+02 0.6122899938E+00 0.5102395637E+00 0.7282344922E+01 0.3461205655E+00 0.1568281801E+00 Ni SP 0.3534612662E+02 -0.2996084888E-01 -0.1665118735E-01 0.1039889511E+02 -0.1549045468E+00 0.9090216381E-02 0.4119571929E+01 -0.5893272205E-01 0.2985627271E+00 0.1879485723E+01 0.7044187060E+00 0.5832013194E+00 0.9084544464E+00 0.4445303313E+00 0.1867090309E+00 Ni SP 0.2011587641E+01 -0.1628249797E-02 -0.2399519595E-01 0.6876026839E+00 -0.2138931336E+00 -0.8118321551E-01 0.2958543299E+00 -0.3039583456E+00 0.2238628944E+00 0.1495006806E+00 0.8491175450E+00 0.6726900408E+00 0.7891588928E-01 0.5164147260E+00 0.2003802746E+00 Ni D 0.2951932601E+02 0.2129970709E-01 0.8684639713E+01 0.1576724301E+00 0.3440461471E+01 0.4485166191E+00 0.1569652946E+01 0.4495368546E+00 0.7586959458E+00 0.9122489728E-01 #BASIS SET: (20s,15p,5d) -> [4s,3p,1d] Cu S 0.9144379043E+04 0.2214055312E-01 0.1675683360E+04 0.1135411520E+00 0.4680303359E+03 0.3318161484E+00 0.1598032419E+03 0.4825700713E+00 0.6021985949E+02 0.1935721966E+00 Cu SP 0.7300692723E+03 -0.2940855088E-01 0.1255609128E-01 0.1496733560E+03 -0.6532746883E-01 0.1075576962E+00 0.4770103977E+02 0.1289973181E+00 0.3735975367E+00 0.1854348968E+02 0.6122899938E+00 0.5102395637E+00 0.7899662747E+01 0.3461205655E+00 0.1568281801E+00 Cu SP 0.3868892022E+02 -0.2996084888E-01 -0.1665118735E-01 0.1138235110E+02 -0.1549045468E+00 0.9090216381E-02 0.4509172713E+01 -0.5893272205E-01 0.2985627271E+00 0.2057234558E+01 0.7044187060E+00 0.5832013194E+00 0.9943698208E+00 0.4445303313E+00 0.1867090309E+00 Cu SP 0.2011587641E+01 -0.1628249797E-02 -0.2399519595E-01 0.6876026839E+00 -0.2138931336E+00 -0.8118321551E-01 0.2958543299E+00 -0.3039583456E+00 0.2238628944E+00 0.1495006806E+00 0.8491175450E+00 0.6726900408E+00 0.7891588928E-01 0.5164147260E+00 0.2003802746E+00 Cu D 0.3300985274E+02 0.2129970709E-01 0.9711559061E+01 0.1576724301E+00 0.3847280471E+01 0.4485166191E+00 0.1755257304E+01 0.4495368546E+00 0.8484083083E+00 0.9122489728E-01 #BASIS SET: (20s,15p,5d) -> [4s,3p,1d] Zn S 0.9792093681E+04 0.2214055312E-01 0.1794375361E+04 0.1135411520E+00 0.5011818597E+03 0.3318161484E+00 0.1711224248E+03 0.4825700713E+00 0.6448535246E+02 0.1935721966E+00 Zn SP 0.7894411379E+03 -0.2940855088E-01 0.1255609128E-01 0.1618453330E+03 -0.6532746883E-01 0.1075576962E+00 0.5158026032E+02 0.1289973181E+00 0.3735975367E+00 0.2005151313E+02 0.6122899938E+00 0.5102395637E+00 0.8542091805E+01 0.3461205655E+00 0.1568281801E+00 Zn SP 0.4202063772E+02 -0.2996084888E-01 -0.1665118735E-01 0.1236254849E+02 -0.1549045468E+00 0.9090216381E-02 0.4897482585E+01 -0.5893272205E-01 0.2985627271E+00 0.2234394436E+01 0.7044187060E+00 0.5832013194E+00 0.1080000521E+01 0.4445303313E+00 0.1867090309E+00 Zn SP 0.2836652885E+01 -0.1628249797E-02 -0.2399519595E-01 0.9696272222E+00 -0.2138931336E+00 -0.8118321551E-01 0.4172008323E+00 -0.3039583456E+00 0.2238628944E+00 0.2108193191E+00 0.8491175450E+00 0.6726900408E+00 0.1112837345E+00 0.5164147260E+00 0.2003802746E+00 Zn D 0.3745588678E+02 0.2129970709E-01 0.1101959041E+02 0.1576724301E+00 0.4365463333E+01 0.4485166191E+00 0.1991669559E+01 0.4495368546E+00 0.9626788035E+00 0.9122489728E-01 #BASIS SET: (20s,15p,5d) -> [4s,3p,1d] Ga S 0.1046196963E+05 0.2214055312E-01 0.1917128363E+04 0.1135411520E+00 0.5354676503E+03 0.3318161484E+00 0.1828288893E+03 0.4825700713E+00 0.6889678765E+02 0.1935721966E+00 Ga SP 0.8498247950E+03 -0.2940855088E-01 0.1255609128E-01 0.1742247400E+03 -0.6532746883E-01 0.1075576962E+00 0.5552558899E+02 0.1289973181E+00 0.3735975367E+00 0.2158523570E+02 0.6122899938E+00 0.5102395637E+00 0.9195468882E+01 0.3461205655E+00 0.1568281801E+00 Ga SP 0.4316178646E+02 -0.2996084888E-01 -0.1665118735E-01 0.1269827653E+02 -0.1549045468E+00 0.9090216381E-02 0.5030482853E+01 -0.5893272205E-01 0.2985627271E+00 0.2295073581E+01 0.7044187060E+00 0.5832013194E+00 0.1109329949E+01 0.4445303313E+00 0.1867090309E+00 Ga SP 0.2545915609E+01 -0.1628249797E-02 -0.2399519595E-01 0.8702471468E+00 -0.2138931336E+00 -0.8118321551E-01 0.3744406362E+00 -0.3039583456E+00 0.2238628944E+00 0.1892117988E+00 0.8491175450E+00 0.6726900408E+00 0.9987792237E-01 0.5164147260E+00 0.2003802746E+00 Ga D 0.4316178646E+02 0.2129970709E-01 0.1269827653E+02 0.1576724301E+00 0.5030482853E+01 0.4485166191E+00 0.2295073581E+01 0.4495368546E+00 0.1109329949E+01 0.9122489728E-01 #BASIS SET: (20s,15p,5d) -> [4s,3p,1d] Ge S 0.1114690582E+05 0.2214055312E-01 0.2042641114E+04 0.1135411520E+00 0.5705242586E+03 0.3318161484E+00 0.1947985400E+03 0.4825700713E+00 0.7340740131E+02 0.1935721966E+00 Ge SP 0.9137897610E+03 -0.2940855088E-01 0.1255609128E-01 0.1873383601E+03 -0.6532746883E-01 0.1075576962E+00 0.5970491211E+02 0.1289973181E+00 0.3735975367E+00 0.2320992220E+02 0.6122899938E+00 0.5102395637E+00 0.9887597257E+01 0.3461205655E+00 0.1568281801E+00 Ge SP 0.4857315589E+02 -0.2996084888E-01 -0.1665118735E-01 0.1429031132E+02 -0.1549045468E+00 0.9090216381E-02 0.5661175032E+01 -0.5893272205E-01 0.2985627271E+00 0.2582816329E+01 0.7044187060E+00 0.5832013194E+00 0.1248411174E+01 0.4445303313E+00 0.1867090309E+00 Ge SP 0.3143105690E+01 -0.1628249797E-02 -0.2399519595E-01 0.1074379194E+01 -0.2138931336E+00 -0.8118321551E-01 0.4622723904E+00 -0.3039583456E+00 0.2238628944E+00 0.2335948134E+00 0.8491175450E+00 0.6726900408E+00 0.1233060770E+00 0.5164147260E+00 0.2003802746E+00 Ge D 0.4857315589E+02 0.2129970709E-01 0.1429031132E+02 0.1576724301E+00 0.5661175032E+01 0.4485166191E+00 0.2582816329E+01 0.4495368546E+00 0.1248411174E+01 0.9122489728E-01 #BASIS SET: (20s,15p,5d) -> [4s,3p,1d] As S 0.1186088053E+05 0.2214055312E-01 0.2173475099E+04 0.1135411520E+00 0.6070671255E+03 0.3318161484E+00 0.2072756556E+03 0.4825700713E+00 0.7810924677E+02 0.1935721966E+00 As SP 0.9786708289E+03 -0.2940855088E-01 0.1255609128E-01 0.2006397927E+03 -0.6532746883E-01 0.1075576962E+00 0.6394409121E+02 0.1289973181E+00 0.3735975367E+00 0.2485787734E+02 0.6122899938E+00 0.5102395637E+00 0.1058963825E+02 0.3461205655E+00 0.1568281801E+00 As SP 0.5430401577E+02 -0.2996084888E-01 -0.1665118735E-01 0.1597634078E+02 -0.1549045468E+00 0.9090216381E-02 0.6329103649E+01 -0.5893272205E-01 0.2985627271E+00 0.2887547578E+01 0.7044187060E+00 0.5832013194E+00 0.1395703838E+01 0.4445303313E+00 0.1867090309E+00 As SP 0.3531593553E+01 -0.1628249797E-02 -0.2399519595E-01 0.1207172462E+01 -0.2138931336E+00 -0.8118321551E-01 0.5194092579E+00 -0.3039583456E+00 0.2238628944E+00 0.2624671323E+00 0.8491175450E+00 0.6726900408E+00 0.1385467081E+00 0.5164147260E+00 0.2003802746E+00 As D 0.5430401577E+02 0.2129970709E-01 0.1597634078E+02 0.1576724301E+00 0.6329103649E+01 0.4485166191E+00 0.2887547578E+01 0.4495368546E+00 0.1395703838E+01 0.9122489728E-01 #BASIS SET: (20s,15p,5d) -> [4s,3p,1d] Se S 0.1258947005E+05 0.2214055312E-01 0.2306987208E+04 0.1135411520E+00 0.6443580113E+03 0.3318161484E+00 0.2200081731E+03 0.4825700713E+00 0.8290733725E+02 0.1935721966E+00 Se SP 0.1044325975E+04 -0.2940855088E-01 0.1255609128E-01 0.2140999210E+03 -0.6532746883E-01 0.1075576962E+00 0.6823384680E+02 0.1289973181E+00 0.3735975367E+00 0.2652549379E+02 0.6122899938E+00 0.5102395637E+00 0.1130005510E+02 0.3461205655E+00 0.1568281801E+00 Se SP 0.6035436609E+02 -0.2996084888E-01 -0.1665118735E-01 0.1775636491E+02 -0.1549045468E+00 0.9090216381E-02 0.7034268705E+01 -0.5893272205E-01 0.2985627271E+00 0.3209267329E+01 0.7044187060E+00 0.5832013194E+00 0.1551207939E+01 0.4445303313E+00 0.1867090309E+00 Se SP 0.3872620520E+01 -0.1628249797E-02 -0.2399519595E-01 0.1323742604E+01 -0.2138931336E+00 -0.8118321551E-01 0.5695658122E+00 -0.3039583456E+00 0.2238628944E+00 0.2878121695E+00 0.8491175450E+00 0.6726900408E+00 0.1519254175E+00 0.5164147260E+00 0.2003802746E+00 Se D 0.6035436609E+02 0.2129970709E-01 0.1775636491E+02 0.1576724301E+00 0.7034268705E+01 0.4485166191E+00 0.3209267329E+01 0.4495368546E+00 0.1551207939E+01 0.9122489728E-01 #BASIS SET: (20s,15p,5d) -> [4s,3p,1d] Br S 0.1334754353E+05 0.2214055312E-01 0.2445902176E+04 0.1135411520E+00 0.6831579544E+03 0.3318161484E+00 0.2332559398E+03 0.4825700713E+00 0.8789959298E+02 0.1935721966E+00 Br SP 0.1113609772E+04 -0.2940855088E-01 0.1255609128E-01 0.2283039681E+03 -0.6532746883E-01 0.1075576962E+00 0.7276069001E+02 0.1289973181E+00 0.3735975367E+00 0.2828527661E+02 0.6122899938E+00 0.5102395637E+00 0.1204973550E+02 0.3461205655E+00 0.1568281801E+00 Br SP 0.6672420686E+02 -0.2996084888E-01 -0.1665118735E-01 0.1963038372E+02 -0.1549045468E+00 0.9090216381E-02 0.7776670199E+01 -0.5893272205E-01 0.2985627271E+00 0.3547975581E+01 0.7044187060E+00 0.5832013194E+00 0.1714923478E+01 0.4445303313E+00 0.1867090309E+00 Br SP 0.4450951967E+01 -0.1628249797E-02 -0.2399519595E-01 0.1521428376E+01 -0.2138931336E+00 -0.8118321551E-01 0.6546239320E+00 -0.3039583456E+00 0.2238628944E+00 0.3307936152E+00 0.8491175450E+00 0.6726900408E+00 0.1746137356E+00 0.5164147260E+00 0.2003802746E+00 Br D 0.6672420686E+02 0.2129970709E-01 0.1963038372E+02 0.1576724301E+00 0.7776670199E+01 0.4485166191E+00 0.3547975581E+01 0.4495368546E+00 0.1714923478E+01 0.9122489728E-01 #BASIS SET: (20s,15p,5d) -> [4s,3p,1d] Kr S 0.1411978637E+05 0.2214055312E-01 0.2587413640E+04 0.1135411520E+00 0.7226831177E+03 0.3318161484E+00 0.2467513241E+03 0.4825700713E+00 0.9298516030E+02 0.1935721966E+00 Kr SP 0.1185118603E+04 -0.2940855088E-01 0.1255609128E-01 0.2429641752E+03 -0.6532746883E-01 0.1075576962E+00 0.7743291185E+02 0.1289973181E+00 0.3735975367E+00 0.3010157449E+02 0.6122899938E+00 0.5102395637E+00 0.1282349173E+02 0.3461205655E+00 0.1568281801E+00 Kr SP 0.7341353808E+02 -0.2996084888E-01 -0.1665118735E-01 0.2159839720E+02 -0.1549045468E+00 0.9090216381E-02 0.8556308132E+01 -0.5893272205E-01 0.2985627271E+00 0.3903672336E+01 0.7044187060E+00 0.5832013194E+00 0.1886850455E+01 0.4445303313E+00 0.1867090309E+00 Kr SP 0.5069515167E+01 -0.1628249797E-02 -0.2399519595E-01 0.1732866201E+01 -0.2138931336E+00 -0.8118321551E-01 0.7455991385E+00 -0.3039583456E+00 0.2238628944E+00 0.3767650745E+00 0.8491175450E+00 0.6726900408E+00 0.1988803716E+00 0.5164147260E+00 0.2003802746E+00 Kr D 0.7341353808E+02 0.2129970709E-01 0.2159839720E+02 0.1576724301E+00 0.8556308132E+01 0.4485166191E+00 0.3903672336E+01 0.4495368546E+00 0.1886850455E+01 0.9122489728E-01 #BASIS SET: (25s,20p,5d) -> [5s,4p,1d] Rb S 0.1491374507E+05 0.2214055312E-01 0.2732904481E+04 0.1135411520E+00 0.7633197490E+03 0.3318161484E+00 0.2606262055E+03 0.4825700713E+00 0.9821373640E+02 0.1935721966E+00 Rb SP 0.1258852469E+04 -0.2940855088E-01 0.1255609128E-01 0.2580805423E+03 -0.6532746883E-01 0.1075576962E+00 0.8225051232E+02 0.1289973181E+00 0.3735975367E+00 0.3197438744E+02 0.6122899938E+00 0.5102395637E+00 0.1362132380E+02 0.3461205655E+00 0.1568281801E+00 Rb SP 0.8042235974E+02 -0.2996084888E-01 -0.1665118735E-01 0.2366040536E+02 -0.1549045468E+00 0.9090216381E-02 0.9373182504E+01 -0.5893272205E-01 0.2985627271E+00 0.4276357592E+01 0.7044187060E+00 0.5832013194E+00 0.2066988869E+01 0.4445303313E+00 0.1867090309E+00 Rb SP 0.7166595283E+01 -0.1628249797E-02 -0.2399519595E-01 0.2449691999E+01 -0.2138931336E+00 -0.8118321551E-01 0.1054027277E+01 -0.3039583456E+00 0.2238628944E+00 0.5326195339E+00 0.8491175450E+00 0.6726900408E+00 0.2811501862E+00 0.5164147260E+00 0.2003802746E+00 Rb SP 0.1740965194E+01 0.3037662332E-01 -0.1257672570E-01 0.6546793695E+00 -0.1825060513E+00 -0.1563935424E+00 0.3100597496E+00 -0.6591492319E+00 0.6500746946E-01 0.1666886191E+00 0.9186932397E+00 0.7859820497E+00 0.9323015121E-01 0.6952739594E+00 0.2582283808E+00 Rb D 0.8042235974E+02 0.2129970709E-01 0.2366040536E+02 0.1576724301E+00 0.9373182504E+01 0.4485166191E+00 0.4276357592E+01 0.4495368546E+00 0.2066988869E+01 0.9122489728E-01 #BASIS SET: (25s,20p,5d) -> [5s,4p,1d] Sr S 0.1573785478E+05 0.2214055312E-01 0.2883920413E+04 0.1135411520E+00 0.8054995780E+03 0.3318161484E+00 0.2750279929E+03 0.4825700713E+00 0.1036408704E+03 0.1935721966E+00 Sr SP 0.1334811369E+04 -0.2940855088E-01 0.1255609128E-01 0.2736530695E+03 -0.6532746883E-01 0.1075576962E+00 0.8721349143E+02 0.1289973181E+00 0.3735975367E+00 0.3390371544E+02 0.6122899938E+00 0.5102395637E+00 0.1444323169E+02 0.3461205655E+00 0.1568281801E+00 Sr SP 0.8751682606E+02 -0.2996084888E-01 -0.1665118735E-01 0.2574761032E+02 -0.1549045468E+00 0.9090216381E-02 0.1020003871E+02 -0.5893272205E-01 0.2985627271E+00 0.4653596894E+01 0.7044187060E+00 0.5832013194E+00 0.2249328494E+01 0.4445303313E+00 0.1867090309E+00 Sr SP 0.7846449044E+01 -0.1628249797E-02 -0.2399519595E-01 0.2682080219E+01 -0.2138931336E+00 -0.8118321551E-01 0.1154016795E+01 -0.3039583456E+00 0.2238628944E+00 0.5831460921E+00 0.8491175450E+00 0.6726900408E+00 0.3078212906E+00 0.5164147260E+00 0.2003802746E+00 Sr SP 0.1562528318E+01 0.3037662332E-01 -0.1257672570E-01 0.5875792679E+00 -0.1825060513E+00 -0.1563935424E+00 0.2782807725E+00 -0.6591492319E+00 0.6500746946E-01 0.1496041900E+00 0.9186932397E+00 0.7859820497E+00 0.8367470635E-01 0.6952739594E+00 0.2582283808E+00 Sr D 0.8751682606E+02 0.2129970709E-01 0.2574761032E+02 0.1576724301E+00 0.1020003871E+02 0.4485166191E+00 0.4653596894E+01 0.4495368546E+00 0.2249328494E+01 0.9122489728E-01 #BASIS SET: (25s,20p,10d) -> [5s,4p,2d] Y S 0.1657546681E+05 0.2214055312E-01 0.3037410610E+04 0.1135411520E+00 0.8483704868E+03 0.3318161484E+00 0.2896657411E+03 0.4825700713E+00 0.1091569234E+03 0.1935721966E+00 Y SP 0.1407938362E+04 -0.2940855088E-01 0.1255609128E-01 0.2886450200E+03 -0.6532746883E-01 0.1075576962E+00 0.9199144019E+02 0.1289973181E+00 0.3735975367E+00 0.3576111402E+02 0.6122899938E+00 0.5102395637E+00 0.1523449712E+02 0.3461205655E+00 0.1568281801E+00 Y SP 0.9909336269E+02 -0.2996084888E-01 -0.1665118735E-01 0.2915344858E+02 -0.1549045468E+00 0.9090216381E-02 0.1154927779E+02 -0.5893272205E-01 0.2985627271E+00 0.5269164635E+01 0.7044187060E+00 0.5832013194E+00 0.2546864807E+01 0.4445303313E+00 0.1867090309E+00 Y SP 0.8818751985E+01 -0.1625226415E-02 -0.2252723379E-01 0.2955443644E+01 -0.2021421832E+00 -0.8330806344E-01 0.1295319973E+01 -0.3157024793E+00 0.2024706622E+00 0.6473937353E+00 0.8082100530E+00 0.6764313752E+00 0.3405826800E+00 0.5572172110E+00 0.2185970413E+00 Y SP 0.1562528318E+01 0.3037662332E-01 -0.1257672570E-01 0.5875792679E+00 -0.1825060513E+00 -0.1563935424E+00 0.2782807725E+00 -0.6591492319E+00 0.6500746946E-01 0.1496041900E+00 0.9186932397E+00 0.7859820497E+00 0.8367470635E-01 0.6952739594E+00 0.2582283808E+00 Y D 0.9909336269E+02 0.2129970709E-01 0.2915344858E+02 0.1576724301E+00 0.1154927779E+02 0.4485166191E+00 0.5269164635E+01 0.4495368546E+00 0.2546864807E+01 0.9122489728E-01 Y D 0.1596876774E+01 -0.7366292015E-02 0.5351640822E+00 0.6959758544E-01 0.2345531867E+00 0.4238047632E+00 0.1172283812E+00 0.5073954645E+00 0.6167182979E-01 0.1003613116E+00 #BASIS SET: (25s,20p,10d) -> [5s,4p,2d] Zr S 0.1743479471E+05 0.2214055312E-01 0.3194880183E+04 0.1135411520E+00 0.8923528636E+03 0.3318161484E+00 0.3046829865E+03 0.4825700713E+00 0.1148159851E+03 0.1935721966E+00 Zr SP 0.1488205309E+04 -0.2940855088E-01 0.1255609128E-01 0.3051007507E+03 -0.6532746883E-01 0.1075576962E+00 0.9723589708E+02 0.1289973181E+00 0.3735975367E+00 0.3779986481E+02 0.6122899938E+00 0.5102395637E+00 0.1610301992E+02 0.3461205655E+00 0.1568281801E+00 Zr SP 0.1051512011E+03 -0.2996084888E-01 -0.1665118735E-01 0.3093567571E+02 -0.1549045468E+00 0.9090216381E-02 0.1225531558E+02 -0.5893272205E-01 0.2985627271E+00 0.5591282554E+01 0.7044187060E+00 0.5832013194E+00 0.2702561364E+01 0.4445303313E+00 0.1867090309E+00 Zr SP 0.9866743104E+01 -0.1625226415E-02 -0.2252723379E-01 0.3306658725E+01 -0.2021421832E+00 -0.8330806344E-01 0.1449251486E+01 -0.3157024793E+00 0.2024706622E+00 0.7243278510E+00 0.8082100530E+00 0.6764313752E+00 0.3810563916E+00 0.5572172110E+00 0.2185970413E+00 Zr SP 0.1740965194E+01 0.3037662332E-01 -0.1257672570E-01 0.6546793695E+00 -0.1825060513E+00 -0.1563935424E+00 0.3100597496E+00 -0.6591492319E+00 0.6500746946E-01 0.1666886191E+00 0.9186932397E+00 0.7859820497E+00 0.9323015121E-01 0.6952739594E+00 0.2582283808E+00 Zr D 0.1051512011E+03 0.2129970709E-01 0.3093567571E+02 0.1576724301E+00 0.1225531558E+02 0.4485166191E+00 0.5591282554E+01 0.4495368546E+00 0.2702561364E+01 0.9122489728E-01 Zr D 0.3098022415E+01 -0.7366292015E-02 0.1038245624E+01 0.6959758544E-01 0.4550451491E+00 0.4238047632E+00 0.2274290406E+00 0.5073954645E+00 0.1196464963E+00 0.1003613116E+00 #BASIS SET: (25s,20p,10d) -> [5s,4p,2d] Nb S 0.1832494065E+05 0.2214055312E-01 0.3357997080E+04 0.1135411520E+00 0.9379125784E+03 0.3318161484E+00 0.3202387947E+03 0.4825700713E+00 0.1206779975E+03 0.1935721966E+00 Nb SP 0.1570697290E+04 -0.2940855088E-01 0.1255609128E-01 0.3220126414E+03 -0.6532746883E-01 0.1075576962E+00 0.1026257326E+03 0.1289973181E+00 0.3735975367E+00 0.3989513065E+02 0.6122899938E+00 0.5102395637E+00 0.1699561856E+02 0.3461205655E+00 0.1568281801E+00 Nb SP 0.1129762210E+03 -0.2996084888E-01 -0.1665118735E-01 0.3323781088E+02 -0.1549045468E+00 0.9090216381E-02 0.1316731741E+02 -0.5893272205E-01 0.2985627271E+00 0.6007368123E+01 0.7044187060E+00 0.5832013194E+00 0.2903677435E+01 0.4445303313E+00 0.1867090309E+00 Nb SP 0.1097355795E+02 -0.1625226415E-02 -0.2252723379E-01 0.3677587504E+01 -0.2021421832E+00 -0.8330806344E-01 0.1611823171E+01 -0.3157024793E+00 0.2024706622E+00 0.8055802774E+00 0.8082100530E+00 0.6764313752E+00 0.4238018920E+00 0.5572172110E+00 0.2185970413E+00 Nb SP 0.1740965194E+01 0.3037662332E-01 -0.1257672570E-01 0.6546793695E+00 -0.1825060513E+00 -0.1563935424E+00 0.3100597496E+00 -0.6591492319E+00 0.6500746946E-01 0.1666886191E+00 0.9186932397E+00 0.7859820497E+00 0.9323015121E-01 0.6952739594E+00 0.2582283808E+00 Nb D 0.1129762210E+03 0.2129970709E-01 0.3323781088E+02 0.1576724301E+00 0.1316731741E+02 0.4485166191E+00 0.6007368123E+01 0.4495368546E+00 0.2903677435E+01 0.9122489728E-01 Nb D 0.4692862356E+01 -0.7366292015E-02 0.1572727099E+01 0.6959758544E-01 0.6892991608E+00 0.4238047632E+00 0.3445078958E+00 0.5073954645E+00 0.1812396631E+00 0.1003613116E+00 #BASIS SET: (25s,20p,10d) -> [5s,4p,2d] Mo S 0.1922792187E+05 0.2214055312E-01 0.3523466009E+04 0.1135411520E+00 0.9841292327E+03 0.3318161484E+00 0.3360189069E+03 0.4825700713E+00 0.1266245360E+03 0.1935721966E+00 Mo SP 0.1653588650E+04 -0.2940855088E-01 0.1255609128E-01 0.3390064096E+03 -0.6532746883E-01 0.1075576962E+00 0.1080416626E+03 0.1289973181E+00 0.3735975367E+00 0.4200054055E+02 0.6122899938E+00 0.5102395637E+00 0.1789253863E+02 0.3461205655E+00 0.1568281801E+00 Mo SP 0.1213570732E+03 -0.2996084888E-01 -0.1665118735E-01 0.3570347292E+02 -0.1549045468E+00 0.9090216381E-02 0.1414410120E+02 -0.5893272205E-01 0.2985627271E+00 0.6453009371E+01 0.7044187060E+00 0.5832013194E+00 0.3119079323E+01 0.4445303313E+00 0.1867090309E+00 Mo SP 0.1220217539E+02 -0.1625226415E-02 -0.2252723379E-01 0.4089336196E+01 -0.2021421832E+00 -0.8330806344E-01 0.1792285521E+01 -0.3157024793E+00 0.2024706622E+00 0.8957743585E+00 0.8082100530E+00 0.6764313752E+00 0.4712514426E+00 0.5572172110E+00 0.2185970413E+00 Mo SP 0.1833800596E+01 0.3037662332E-01 -0.1257672570E-01 0.6895895575E+00 -0.1825060513E+00 -0.1563935424E+00 0.3265934066E+00 -0.6591492319E+00 0.6500746946E-01 0.1755771396E+00 0.9186932397E+00 0.7859820497E+00 0.9820156509E-01 0.6952739594E+00 0.2582283808E+00 Mo D 0.1213570732E+03 0.2129970709E-01 0.3570347292E+02 0.1576724301E+00 0.1414410120E+02 0.4485166191E+00 0.6453009371E+01 0.4495368546E+00 0.3119079323E+01 0.9122489728E-01 Mo D 0.5939403920E+01 -0.7366292015E-02 0.1990482734E+01 0.6959758544E-01 0.8723942504E+00 0.4238047632E+00 0.4360178056E+00 0.5073954645E+00 0.2293814486E+00 0.1003613116E+00 #BASIS SET: (25s,20p,10d) -> [5s,4p,2d] Tc S 0.2015261896E+05 0.2214055312E-01 0.3692914314E+04 0.1135411520E+00 0.1031457355E+04 0.3318161484E+00 0.3521785162E+03 0.4825700713E+00 0.1327140833E+03 0.1935721966E+00 Tc SP 0.1740483360E+04 -0.2940855088E-01 0.1255609128E-01 0.3568209149E+03 -0.6532746883E-01 0.1075576962E+00 0.1137191622E+03 0.1289973181E+00 0.3735975367E+00 0.4420763407E+02 0.6122899938E+00 0.5102395637E+00 0.1883277668E+02 0.3461205655E+00 0.1568281801E+00 Tc SP 0.1303227738E+03 -0.2996084888E-01 -0.1665118735E-01 0.3834119845E+02 -0.1549045468E+00 0.9090216381E-02 0.1518904876E+02 -0.5893272205E-01 0.2985627271E+00 0.6929749200E+01 0.7044187060E+00 0.5832013194E+00 0.3349512794E+01 0.4445303313E+00 0.1867090309E+00 Tc SP 0.1336365882E+02 -0.1625226415E-02 -0.2252723379E-01 0.4478586152E+01 -0.2021421832E+00 -0.8330806344E-01 0.1962887063E+01 -0.3157024793E+00 0.2024706622E+00 0.9810400627E+00 0.8082100530E+00 0.6764313752E+00 0.5161082592E+00 0.5572172110E+00 0.2185970413E+00 Tc SP 0.1650541102E+01 0.3037662332E-01 -0.1257672570E-01 0.6206759396E+00 -0.1825060513E+00 -0.1563935424E+00 0.2939555382E+00 -0.6591492319E+00 0.6500746946E-01 0.1580309692E+00 0.9186932397E+00 0.7859820497E+00 0.8838786496E-01 0.6952739594E+00 0.2582283808E+00 Tc D 0.1303227738E+03 0.2129970709E-01 0.3834119845E+02 0.1576724301E+00 0.1518904876E+02 0.4485166191E+00 0.6929749200E+01 0.4495368546E+00 0.3349512794E+01 0.9122489728E-01 Tc D 0.7332597432E+01 -0.7366292015E-02 0.2457386092E+01 0.6959758544E-01 0.1077029939E+01 0.4238047632E+00 0.5382935872E+00 0.5073954645E+00 0.2831869735E+00 0.1003613116E+00 #BASIS SET: (25s,20p,10d) -> [5s,4p,2d] Ru S 0.2110880112E+05 0.2214055312E-01 0.3868132175E+04 0.1135411520E+00 0.1080396956E+04 0.3318161484E+00 0.3688883451E+03 0.4825700713E+00 0.1390109740E+03 0.1935721966E+00 Ru SP 0.1827683773E+04 -0.2940855088E-01 0.1255609128E-01 0.3746980931E+03 -0.6532746883E-01 0.1075576962E+00 0.1194166358E+03 0.1289973181E+00 0.3735975367E+00 0.4642249234E+02 0.6122899938E+00 0.5102395637E+00 0.1977632256E+02 0.3461205655E+00 0.1568281801E+00 Ru SP 0.1393129666E+03 -0.2996084888E-01 -0.1665118735E-01 0.4098612963E+02 -0.1549045468E+00 0.9090216381E-02 0.1623685086E+02 -0.5893272205E-01 0.2985627271E+00 0.7407791370E+01 0.7044187060E+00 0.5832013194E+00 0.3580575754E+01 0.4445303313E+00 0.1867090309E+00 Ru SP 0.1464694484E+02 -0.1625226415E-02 -0.2252723379E-01 0.4908656023E+01 -0.2021421832E+00 -0.8330806344E-01 0.2151379270E+01 -0.3157024793E+00 0.2024706622E+00 0.1075247422E+01 0.8082100530E+00 0.6764313752E+00 0.5656691261E+00 0.5572172110E+00 0.2185970413E+00 Ru SP 0.1476926844E+01 0.3037662332E-01 -0.1257672570E-01 0.5553893543E+00 -0.1825060513E+00 -0.1563935424E+00 0.2630354524E+00 -0.6591492319E+00 0.6500746946E-01 0.1414082814E+00 0.9186932397E+00 0.7859820497E+00 0.7909067537E-01 0.6952739594E+00 0.2582283808E+00 Ru D 0.1393129666E+03 0.2129970709E-01 0.4098612963E+02 0.1576724301E+00 0.1623685086E+02 0.4485166191E+00 0.7407791370E+01 0.4495368546E+00 0.3580575754E+01 0.9122489728E-01 Ru D 0.8342866412E+01 -0.7366292015E-02 0.2795959287E+01 0.6959758544E-01 0.1225420730E+01 0.4238047632E+00 0.6124584815E+00 0.5073954645E+00 0.3222038454E+00 0.1003613116E+00 #BASIS SET: (25s,20p,10d) -> [5s,4p,2d] Rh S 0.2207715154E+05 0.2214055312E-01 0.4045579837E+04 0.1135411520E+00 0.1129959356E+04 0.3318161484E+00 0.3858108212E+03 0.4825700713E+00 0.1453879982E+03 0.1935721966E+00 Rh SP 0.1917015546E+04 -0.2940855088E-01 0.1255609128E-01 0.3930122267E+03 -0.6532746883E-01 0.1075576962E+00 0.1252533674E+03 0.1289973181E+00 0.3735975367E+00 0.4869148635E+02 0.6122899938E+00 0.5102395637E+00 0.2074293067E+02 0.3461205655E+00 0.1568281801E+00 Rh SP 0.1489076641E+03 -0.2996084888E-01 -0.1665118735E-01 0.4380890718E+02 -0.1549045468E+00 0.9090216381E-02 0.1735510766E+02 -0.5893272205E-01 0.2985627271E+00 0.7917977311E+01 0.7044187060E+00 0.5832013194E+00 0.3827175492E+01 0.4445303313E+00 0.1867090309E+00 Rh SP 0.1584500979E+02 -0.1625226415E-02 -0.2252723379E-01 0.5310165606E+01 -0.2021421832E+00 -0.8330806344E-01 0.2327353995E+01 -0.3157024793E+00 0.2024706622E+00 0.1163198613E+01 0.8082100530E+00 0.6764313752E+00 0.6119387311E+00 0.5572172110E+00 0.2185970413E+00 Rh SP 0.1476926844E+01 0.3037662332E-01 -0.1257672570E-01 0.5553893543E+00 -0.1825060513E+00 -0.1563935424E+00 0.2630354524E+00 -0.6591492319E+00 0.6500746946E-01 0.1414082814E+00 0.9186932397E+00 0.7859820497E+00 0.7909067537E-01 0.6952739594E+00 0.2582283808E+00 Rh D 0.1489076641E+03 0.2129970709E-01 0.4380890718E+02 0.1576724301E+00 0.1735510766E+02 0.4485166191E+00 0.7917977311E+01 0.4495368546E+00 0.3827175492E+01 0.9122489728E-01 Rh D 0.9697360104E+01 -0.7366292015E-02 0.3249893107E+01 0.6959758544E-01 0.1424372094E+01 0.4238047632E+00 0.7118932691E+00 0.5073954645E+00 0.3745147725E+00 0.1003613116E+00 #BASIS SET: (25s,20p,10d) -> [5s,4p,2d] Pd S 0.2306721782E+05 0.2214055312E-01 0.4227006875E+04 0.1135411520E+00 0.1180633223E+04 0.3318161484E+00 0.4031127945E+03 0.4825700713E+00 0.1519080311E+03 0.1935721966E+00 Pd SP 0.2008478679E+04 -0.2940855088E-01 0.1255609128E-01 0.4117633159E+03 -0.6532746883E-01 0.1075576962E+00 0.1312293572E+03 0.1289973181E+00 0.3735975367E+00 0.5101461611E+02 0.6122899938E+00 0.5102395637E+00 0.2173260100E+02 0.3461205655E+00 0.1568281801E+00 Pd SP 0.1588218520E+03 -0.2996084888E-01 -0.1665118735E-01 0.4672567939E+02 -0.1549045468E+00 0.9090216381E-02 0.1851060090E+02 -0.5893272205E-01 0.2985627271E+00 0.8445151755E+01 0.7044187060E+00 0.5832013194E+00 0.4081986668E+01 0.4445303313E+00 0.1867090309E+00 Pd SP 0.1716487733E+02 -0.1625226415E-02 -0.2252723379E-01 0.5752495103E+01 -0.2021421832E+00 -0.8330806344E-01 0.2521219384E+01 -0.3157024793E+00 0.2024706622E+00 0.1260091458E+01 0.8082100530E+00 0.6764313752E+00 0.6629123863E+00 0.5572172110E+00 0.2185970413E+00 Pd SP 0.1562528318E+01 0.3037662332E-01 -0.1257672570E-01 0.5875792679E+00 -0.1825060513E+00 -0.1563935424E+00 0.2782807725E+00 -0.6591492319E+00 0.6500746946E-01 0.1496041900E+00 0.9186932397E+00 0.7859820497E+00 0.8367470635E-01 0.6952739594E+00 0.2582283808E+00 Pd D 0.1588218520E+03 0.2129970709E-01 0.4672567939E+02 0.1576724301E+00 0.1851060090E+02 0.4485166191E+00 0.8445151755E+01 0.4495368546E+00 0.4081986668E+01 0.9122489728E-01 Pd D 0.1055894030E+02 -0.7366292015E-02 0.3538635972E+01 0.6959758544E-01 0.1550923112E+01 0.4238047632E+00 0.7751427656E+00 0.5073954645E+00 0.4077892419E+00 0.1003613116E+00 #BASIS SET: (25s,20p,10d) -> [5s,4p,2d] Ag S 0.2407899997E+05 0.2214055312E-01 0.4412413287E+04 0.1135411520E+00 0.1232418559E+04 0.3318161484E+00 0.4207942649E+03 0.4825700713E+00 0.1585710728E+03 0.1935721966E+00 Ag SP 0.2102073171E+04 -0.2940855088E-01 0.1255609128E-01 0.4309513605E+03 -0.6532746883E-01 0.1075576962E+00 0.1373446052E+03 0.1289973181E+00 0.3735975367E+00 0.5339188163E+02 0.6122899938E+00 0.5102395637E+00 0.2274533356E+02 0.3461205655E+00 0.1568281801E+00 Ag SP 0.1690555303E+03 -0.2996084888E-01 -0.1665118735E-01 0.4973644629E+02 -0.1549045468E+00 0.9090216381E-02 0.1970333057E+02 -0.5893272205E-01 0.2985627271E+00 0.8989314700E+01 0.7044187060E+00 0.5832013194E+00 0.4345009281E+01 0.4445303313E+00 0.1867090309E+00 Ag SP 0.1845989551E+02 -0.1625226415E-02 -0.2252723379E-01 0.6186496791E+01 -0.2021421832E+00 -0.8330806344E-01 0.2711434838E+01 -0.3157024793E+00 0.2024706622E+00 0.1355160087E+01 0.8082100530E+00 0.6764313752E+00 0.7129263524E+00 0.5572172110E+00 0.2185970413E+00 Ag SP 0.1562528318E+01 0.3037662332E-01 -0.1257672570E-01 0.5875792679E+00 -0.1825060513E+00 -0.1563935424E+00 0.2782807725E+00 -0.6591492319E+00 0.6500746946E-01 0.1496041900E+00 0.9186932397E+00 0.7859820497E+00 0.8367470635E-01 0.6952739594E+00 0.2582283808E+00 Ag D 0.1690555303E+03 0.2129970709E-01 0.4973644629E+02 0.1576724301E+00 0.1970333057E+02 0.4485166191E+00 0.8989314700E+01 0.4495368546E+00 0.4345009281E+01 0.9122489728E-01 Ag D 0.1145718349E+02 -0.7366292015E-02 0.3839665769E+01 0.6959758544E-01 0.1682859279E+01 0.4238047632E+00 0.8410837300E+00 0.5073954645E+00 0.4424796461E+00 0.1003613116E+00 #BASIS SET: (25s,20p,10d) -> [5s,4p,2d] Cd S 0.2512315582E+05 0.2214055312E-01 0.4603752094E+04 0.1135411520E+00 0.1285860855E+04 0.3318161484E+00 0.4390414841E+03 0.4825700713E+00 0.1654473099E+03 0.1935721966E+00 Cd SP 0.2195695363E+04 -0.2940855088E-01 0.1255609128E-01 0.4501450839E+03 -0.6532746883E-01 0.1075576962E+00 0.1434616629E+03 0.1289973181E+00 0.3735975367E+00 0.5576985070E+02 0.6122899938E+00 0.5102395637E+00 0.2375836584E+02 0.3461205655E+00 0.1568281801E+00 Cd SP 0.1799436337E+03 -0.2996084888E-01 -0.1665118735E-01 0.5293974621E+02 -0.1549045468E+00 0.9090216381E-02 0.2097233312E+02 -0.5893272205E-01 0.2985627271E+00 0.9568275869E+01 0.7044187060E+00 0.5832013194E+00 0.4624851710E+01 0.4445303313E+00 0.1867090309E+00 Cd SP 0.1980200526E+02 -0.1625226415E-02 -0.2252723379E-01 0.6636280358E+01 -0.2021421832E+00 -0.8330806344E-01 0.2908567218E+01 -0.3157024793E+00 0.2024706622E+00 0.1453685756E+01 0.8082100530E+00 0.6764313752E+00 0.7647590081E+00 0.5572172110E+00 0.2185970413E+00 Cd SP 0.2126774655E+01 0.3037662332E-01 -0.1257672570E-01 0.7997606702E+00 -0.1825060513E+00 -0.1563935424E+00 0.3787710514E+00 -0.6591492319E+00 0.6500746946E-01 0.2036279253E+00 0.9186932397E+00 0.7859820497E+00 0.1138905725E+00 0.6952739594E+00 0.2582283808E+00 Cd D 0.1799436337E+03 0.2129970709E-01 0.5293974621E+02 0.1576724301E+00 0.2097233312E+02 0.4485166191E+00 0.9568275869E+01 0.4495368546E+00 0.4624851710E+01 0.9122489728E-01 Cd D 0.1271187238E+02 -0.7366292015E-02 0.4260151833E+01 0.6959758544E-01 0.1867151069E+01 0.4238047632E+00 0.9331917438E+00 0.5073954645E+00 0.4909360838E+00 0.1003613116E+00 #BASIS SET: (25s,20p,10d) -> [5s,4p,2d] In S 0.2617859129E+05 0.2214055312E-01 0.4797157864E+04 0.1135411520E+00 0.1339880469E+04 0.3318161484E+00 0.4574858214E+03 0.4825700713E+00 0.1723978285E+03 0.1935721966E+00 In SP 0.2291357254E+04 -0.2940855088E-01 0.1255609128E-01 0.4697569712E+03 -0.6532746883E-01 0.1075576962E+00 0.1497119899E+03 0.1289973181E+00 0.3735975367E+00 0.5819962738E+02 0.6122899938E+00 0.5102395637E+00 0.2479346855E+02 0.3461205655E+00 0.1568281801E+00 In SP 0.1915170503E+03 -0.2996084888E-01 -0.1665118735E-01 0.5634466655E+02 -0.1549045468E+00 0.9090216381E-02 0.2232120857E+02 -0.5893272205E-01 0.2985627271E+00 0.1018367771E+02 0.7044187060E+00 0.5832013194E+00 0.4922307833E+01 0.4445303313E+00 0.1867090309E+00 In SP 0.1761656533E+02 -0.1625226415E-02 -0.2252723379E-01 0.5903870086E+01 -0.2021421832E+00 -0.8330806344E-01 0.2587564428E+01 -0.3157024793E+00 0.2024706622E+00 0.1293250343E+01 0.8082100530E+00 0.6764313752E+00 0.6803567039E+00 0.5572172110E+00 0.2185970413E+00 In SP 0.2026705326E+01 0.3037662332E-01 -0.1257672570E-01 0.7621302078E+00 -0.1825060513E+00 -0.1563935424E+00 0.3609490575E+00 -0.6591492319E+00 0.6500746946E-01 0.1940467927E+00 0.9186932397E+00 0.7859820497E+00 0.1085317757E+00 0.6952739594E+00 0.2582283808E+00 In D 0.1915170503E+03 0.2129970709E-01 0.5634466655E+02 0.1576724301E+00 0.2232120857E+02 0.4485166191E+00 0.1018367771E+02 0.4495368546E+00 0.4922307833E+01 0.9122489728E-01 In D 0.1761656533E+02 -0.7366292015E-02 0.5903870086E+01 0.6959758544E-01 0.2587564428E+01 0.4238047632E+00 0.1293250343E+01 0.5073954645E+00 0.6803567039E+00 0.1003613116E+00 #BASIS SET: (25s,20p,10d) -> [5s,4p,2d] Sn S 0.2725574264E+05 0.2214055312E-01 0.4994543009E+04 0.1135411520E+00 0.1395011550E+04 0.3318161484E+00 0.4763096558E+03 0.4825700713E+00 0.1794913558E+03 0.1935721966E+00 Sn SP 0.2391253158E+04 -0.2940855088E-01 0.1255609128E-01 0.4902368841E+03 -0.6532746883E-01 0.1075576962E+00 0.1562389575E+03 0.1289973181E+00 0.3735975367E+00 0.6073694641E+02 0.6122899938E+00 0.5102395637E+00 0.2587438508E+02 0.3461205655E+00 0.1568281801E+00 Sn SP 0.2023836255E+03 -0.2996084888E-01 -0.1665118735E-01 0.5954163285E+02 -0.1549045468E+00 0.9090216381E-02 0.2358770203E+02 -0.5893272205E-01 0.2985627271E+00 0.1076149414E+02 0.7044187060E+00 0.5832013194E+00 0.5201596951E+01 0.4445303313E+00 0.1867090309E+00 Sn SP 0.1948197812E+02 -0.1625226415E-02 -0.2252723379E-01 0.6529029108E+01 -0.2021421832E+00 -0.8330806344E-01 0.2861560844E+01 -0.3157024793E+00 0.2024706622E+00 0.1430192232E+01 0.8082100530E+00 0.6764313752E+00 0.7523994699E+00 0.5572172110E+00 0.2185970413E+00 Sn SP 0.2229255293E+01 0.3037662332E-01 -0.1257672570E-01 0.8382978907E+00 -0.1825060513E+00 -0.1563935424E+00 0.3970224909E+00 -0.6591492319E+00 0.6500746946E-01 0.2134399285E+00 0.9186932397E+00 0.7859820497E+00 0.1193784969E+00 0.6952739594E+00 0.2582283808E+00 Sn D 0.2023836255E+03 0.2129970709E-01 0.5954163285E+02 0.1576724301E+00 0.2358770203E+02 0.4485166191E+00 0.1076149414E+02 0.4495368546E+00 0.5201596951E+01 0.9122489728E-01 Sn D 0.1948197812E+02 -0.7366292015E-02 0.6529029108E+01 0.6959758544E-01 0.2861560844E+01 0.4238047632E+00 0.1430192232E+01 0.5073954645E+00 0.7523994699E+00 0.1003613116E+00 #BASIS SET: (25s,20p,10d) -> [5s,4p,2d] Sb S 0.2835460985E+05 0.2214055312E-01 0.5195907529E+04 0.1135411520E+00 0.1451254099E+04 0.3318161484E+00 0.4955129874E+03 0.4825700713E+00 0.1867278919E+03 0.1935721966E+00 Sb SP 0.2493280421E+04 -0.2940855088E-01 0.1255609128E-01 0.5111537526E+03 -0.6532746883E-01 0.1075576962E+00 0.1629051832E+03 0.1289973181E+00 0.3735975367E+00 0.6332840119E+02 0.6122899938E+00 0.5102395637E+00 0.2697836385E+02 0.3461205655E+00 0.1568281801E+00 Sb SP 0.2139152338E+03 -0.2996084888E-01 -0.1665118735E-01 0.6293425311E+02 -0.1549045468E+00 0.9090216381E-02 0.2493170473E+02 -0.5893272205E-01 0.2985627271E+00 0.1137467288E+02 0.7044187060E+00 0.5832013194E+00 0.5497978531E+01 0.4445303313E+00 0.1867090309E+00 Sb SP 0.2135773801E+02 -0.1625226415E-02 -0.2252723379E-01 0.7157655774E+01 -0.2021421832E+00 -0.8330806344E-01 0.3137077070E+01 -0.3157024793E+00 0.2024706622E+00 0.1567893713E+01 0.8082100530E+00 0.6764313752E+00 0.8248418443E+00 0.5572172110E+00 0.2185970413E+00 Sb SP 0.2334147241E+01 0.3037662332E-01 -0.1257672570E-01 0.8777418694E+00 -0.1825060513E+00 -0.1563935424E+00 0.4157033761E+00 -0.6591492319E+00 0.6500746946E-01 0.2234828023E+00 0.9186932397E+00 0.7859820497E+00 0.1249955490E+00 0.6952739594E+00 0.2582283808E+00 Sb D 0.2139152338E+03 0.2129970709E-01 0.6293425311E+02 0.1576724301E+00 0.2493170473E+02 0.4485166191E+00 0.1137467288E+02 0.4495368546E+00 0.5497978531E+01 0.9122489728E-01 Sb D 0.2135773801E+02 -0.7366292015E-02 0.7157655774E+01 0.6959758544E-01 0.3137077070E+01 0.4238047632E+00 0.1567893713E+01 0.5073954645E+00 0.8248418443E+00 0.1003613116E+00 #BASIS SET: (25s,20p,10d) -> [5s,4p,2d] Te S 0.2948673938E+05 0.2214055312E-01 0.5403367282E+04 0.1135411520E+00 0.1509199091E+04 0.3318161484E+00 0.5152975969E+03 0.4825700713E+00 0.1941834753E+03 0.1935721966E+00 Te SP 0.2597439044E+04 -0.2940855088E-01 0.1255609128E-01 0.5325075765E+03 -0.6532746883E-01 0.1075576962E+00 0.1697106670E+03 0.1289973181E+00 0.3735975367E+00 0.6597399172E+02 0.6122899938E+00 0.5102395637E+00 0.2810540484E+02 0.3461205655E+00 0.1568281801E+00 Te SP 0.2257663325E+03 -0.2996084888E-01 -0.1665118735E-01 0.6642086804E+02 -0.1549045468E+00 0.9090216381E-02 0.2631294387E+02 -0.5893272205E-01 0.2985627271E+00 0.1200484011E+02 0.7044187060E+00 0.5832013194E+00 0.5802571547E+01 0.4445303313E+00 0.1867090309E+00 Te SP 0.2340695458E+02 -0.1625226415E-02 -0.2252723379E-01 0.7844413274E+01 -0.2021421832E+00 -0.8330806344E-01 0.3438071037E+01 -0.3157024793E+00 0.2024706622E+00 0.1718328827E+01 0.8082100530E+00 0.6764313752E+00 0.9039831638E+00 0.5572172110E+00 0.2185970413E+00 Te SP 0.2506989879E+01 0.3037662332E-01 -0.1257672570E-01 0.9427382921E+00 -0.1825060513E+00 -0.1563935424E+00 0.4464860394E+00 -0.6591492319E+00 0.6500746946E-01 0.2400316115E+00 0.9186932397E+00 0.7859820497E+00 0.1342514177E+00 0.6952739594E+00 0.2582283808E+00 Te D 0.2257663325E+03 0.2129970709E-01 0.6642086804E+02 0.1576724301E+00 0.2631294387E+02 0.4485166191E+00 0.1200484011E+02 0.4495368546E+00 0.5802571547E+01 0.9122489728E-01 Te D 0.2340695458E+02 -0.7366292015E-02 0.7844413274E+01 0.6959758544E-01 0.3438071037E+01 0.4238047632E+00 0.1718328827E+01 0.5073954645E+00 0.9039831638E+00 0.1003613116E+00 #BASIS SET: (25s,20p,10d) -> [5s,4p,2d] I S 0.3062925992E+05 0.2214055312E-01 0.5612731159E+04 0.1135411520E+00 0.1567675918E+04 0.3318161484E+00 0.5352637952E+03 0.4825700713E+00 0.2017074883E+03 0.1935721966E+00 I SP 0.2703729027E+04 -0.2940855088E-01 0.1255609128E-01 0.5542983559E+03 -0.6532746883E-01 0.1075576962E+00 0.1766554090E+03 0.1289973181E+00 0.3735975367E+00 0.6867371800E+02 0.6122899938E+00 0.5102395637E+00 0.2925550805E+02 0.3461205655E+00 0.1568281801E+00 I SP 0.2379369217E+03 -0.2996084888E-01 -0.1665118735E-01 0.7000147764E+02 -0.1549045468E+00 0.9090216381E-02 0.2773141946E+02 -0.5893272205E-01 0.2985627271E+00 0.1265199585E+02 0.7044187060E+00 0.5832013194E+00 0.6115376002E+01 0.4445303313E+00 0.1867090309E+00 I SP 0.2545885976E+02 -0.1625226415E-02 -0.2252723379E-01 0.8532071815E+01 -0.2021421832E+00 -0.8330806344E-01 0.3739459915E+01 -0.3157024793E+00 0.2024706622E+00 0.1868961316E+01 0.8082100530E+00 0.6764313752E+00 0.9832283186E+00 0.5572172110E+00 0.2185970413E+00 I SP 0.2824318161E+01 0.3037662332E-01 -0.1257672570E-01 0.1062067662E+01 -0.1825060513E+00 -0.1563935424E+00 0.5030010851E+00 -0.6591492319E+00 0.6500746946E-01 0.2704141908E+00 0.9186932397E+00 0.7859820497E+00 0.1512446143E+00 0.6952739594E+00 0.2582283808E+00 I D 0.2379369217E+03 0.2129970709E-01 0.7000147764E+02 0.1576724301E+00 0.2773141946E+02 0.4485166191E+00 0.1265199585E+02 0.4495368546E+00 0.6115376002E+01 0.9122489728E-01 I D 0.2545885976E+02 -0.7366292015E-02 0.8532071815E+01 0.6959758544E-01 0.3739459915E+01 0.4238047632E+00 0.1868961316E+01 0.5073954645E+00 0.9832283186E+00 0.1003613116E+00 #BASIS SET: (25s,20p,10d) -> [5s,4p,2d] Xe S 0.3179349632E+05 0.2214055312E-01 0.5826074412E+04 0.1135411520E+00 0.1627264213E+04 0.3318161484E+00 0.5556094908E+03 0.4825700713E+00 0.2093745100E+03 0.1935721966E+00 Xe SP 0.2812150370E+04 -0.2940855088E-01 0.1255609128E-01 0.5765260907E+03 -0.6532746883E-01 0.1075576962E+00 0.1837394090E+03 0.1289973181E+00 0.3735975367E+00 0.7142758003E+02 0.6122899938E+00 0.5102395637E+00 0.3042867349E+02 0.3461205655E+00 0.1568281801E+00 Xe SP 0.2500318503E+03 -0.2996084888E-01 -0.1665118735E-01 0.7355982776E+02 -0.1549045468E+00 0.9090216381E-02 0.2914107684E+02 -0.5893272205E-01 0.2985627271E+00 0.1329512843E+02 0.7044187060E+00 0.5832013194E+00 0.6426235853E+01 0.4445303313E+00 0.1867090309E+00 Xe SP 0.2759696370E+02 -0.1625226415E-02 -0.2252723379E-01 0.9248618295E+01 -0.2021421832E+00 -0.8330806344E-01 0.4053509878E+01 -0.3157024793E+00 0.2024706622E+00 0.2025921745E+01 0.8082100530E+00 0.6764313752E+00 0.1065802494E+01 0.5572172110E+00 0.2185970413E+00 Xe SP 0.3185291139E+01 0.3037662332E-01 -0.1257672570E-01 0.1197809354E+01 -0.1825060513E+00 -0.1563935424E+00 0.5672890969E+00 -0.6591492319E+00 0.6500746946E-01 0.3049755291E+00 0.9186932397E+00 0.7859820497E+00 0.1705750210E+00 0.6952739594E+00 0.2582283808E+00 Xe D 0.2500318503E+03 0.2129970709E-01 0.7355982776E+02 0.1576724301E+00 0.2914107684E+02 0.4485166191E+00 0.1329512843E+02 0.4495368546E+00 0.6426235853E+01 0.9122489728E-01 Xe D 0.2759696370E+02 -0.7366292015E-02 0.9248618295E+01 0.6959758544E-01 0.4053509878E+01 0.4238047632E+00 0.2025921745E+01 0.5073954645E+00 0.1065802494E+01 0.1003613116E+00 END