#---------------------------------------------------------------------- # Basis Set Exchange # Version v0.9.1 # https://www.basissetexchange.org #---------------------------------------------------------------------- # Basis set: STO-6G # Description: STO-6G Minimal Basis (6 functions/AO) # Role: orbital # Version: 1 (Data from Gaussian09) #---------------------------------------------------------------------- BASIS "ao basis" SPHERICAL PRINT #BASIS SET: (6s) -> [1s] H S 0.3552322122E+02 0.9163596281E-02 0.6513143725E+01 0.4936149294E-01 0.1822142904E+01 0.1685383049E+00 0.6259552659E+00 0.3705627997E+00 0.2430767471E+00 0.4164915298E+00 0.1001124280E+00 0.1303340841E+00 #BASIS SET: (6s) -> [1s] He S 0.6598456824E+02 0.9163596281E-02 0.1209819836E+02 0.4936149294E-01 0.3384639924E+01 0.1685383049E+00 0.1162715163E+01 0.3705627997E+00 0.4515163224E+00 0.4164915298E+00 0.1859593559E+00 0.1303340841E+00 #BASIS SET: (12s,6p) -> [2s,1p] Li S 0.1671758462E+03 0.9163596281E-02 0.3065150840E+02 0.4936149294E-01 0.8575187477E+01 0.1685383049E+00 0.2945808337E+01 0.3705627997E+00 0.1143943581E+01 0.4164915298E+00 0.4711391391E+00 0.1303340841E+00 Li SP 0.6597563981E+01 -0.1325278809E-01 0.3759696623E-02 0.1305830092E+01 -0.4699171014E-01 0.3767936984E-01 0.4058510193E+00 -0.3378537151E-01 0.1738967435E+00 0.1561455158E+00 0.2502417861E+00 0.4180364347E+00 0.6781410394E-01 0.5951172526E+00 0.4258595477E+00 0.3108416550E-01 0.2407061763E+00 0.1017082955E+00 #BASIS SET: (12s,6p) -> [2s,1p] Be S 0.3128704937E+03 0.9163596281E-02 0.5736446253E+02 0.4936149294E-01 0.1604850940E+02 0.1685383049E+00 0.5513096119E+01 0.3705627997E+00 0.2140896553E+01 0.4164915298E+00 0.8817394283E+00 0.1303340841E+00 Be SP 0.1363324744E+02 -0.1325278809E-01 0.3759696623E-02 0.2698375464E+01 -0.4699171014E-01 0.3767936984E-01 0.8386530829E+00 -0.3378537151E-01 0.1738967435E+00 0.3226600698E+00 0.2502417861E+00 0.4180364347E+00 0.1401314882E+00 0.5951172526E+00 0.4258595477E+00 0.6423251387E-01 0.2407061763E+00 0.1017082955E+00 #BASIS SET: (12s,6p) -> [2s,1p] B S 0.5060118369E+03 0.9163596281E-02 0.9277671639E+02 0.4936149294E-01 0.2595558190E+02 0.1685383049E+00 0.8916442908E+01 0.3705627997E+00 0.3462515703E+01 0.4164915298E+00 0.1426055179E+01 0.1303340841E+00 B SP 0.2319456087E+02 -0.1325278809E-01 0.3759696623E-02 0.4590808918E+01 -0.4699171014E-01 0.3767936984E-01 0.1426819990E+01 -0.3378537151E-01 0.1738967435E+00 0.5489490791E+00 0.2502417861E+00 0.4180364347E+00 0.2384089591E+00 0.5951172526E+00 0.4258595477E+00 0.1092802694E+00 0.2407061763E+00 0.1017082955E+00 #BASIS SET: (12s,6p) -> [2s,1p] C S 0.7427370491E+03 0.9163596281E-02 0.1361800249E+03 0.4936149294E-01 0.3809826352E+02 0.1685383049E+00 0.1308778177E+02 0.3705627997E+00 0.5082368648E+01 0.4164915298E+00 0.2093200076E+01 0.1303340841E+00 C SP 0.3049723950E+02 -0.1325278809E-01 0.3759696623E-02 0.6036199601E+01 -0.4699171014E-01 0.3767936984E-01 0.1876046337E+01 -0.3378537151E-01 0.1738967435E+00 0.7217826470E+00 0.2502417861E+00 0.4180364347E+00 0.3134706954E+00 0.5951172526E+00 0.4258595477E+00 0.1436865550E+00 0.2407061763E+00 0.1017082955E+00 #BASIS SET: (12s,6p) -> [2s,1p] N S 0.1027828458E+04 0.9163596281E-02 0.1884512226E+03 0.4936149294E-01 0.5272186097E+02 0.1685383049E+00 0.1811138217E+02 0.3705627997E+00 0.7033179691E+01 0.4164915298E+00 0.2896651794E+01 0.1303340841E+00 N SP 0.3919880787E+02 -0.1325278809E-01 0.3759696623E-02 0.7758467071E+01 -0.4699171014E-01 0.3767936984E-01 0.2411325783E+01 -0.3378537151E-01 0.1738967435E+00 0.9277239437E+00 0.2502417861E+00 0.4180364347E+00 0.4029111410E+00 0.5951172526E+00 0.4258595477E+00 0.1846836552E+00 0.2407061763E+00 0.1017082955E+00 #BASIS SET: (12s,6p) -> [2s,1p] O S 0.1355584234E+04 0.9163596281E-02 0.2485448855E+03 0.4936149294E-01 0.6953390229E+02 0.1685383049E+00 0.2388677211E+02 0.3705627997E+00 0.9275932609E+01 0.4164915298E+00 0.3820341298E+01 0.1303340841E+00 O SP 0.5218776196E+02 -0.1325278809E-01 0.3759696623E-02 0.1032932006E+02 -0.4699171014E-01 0.3767936984E-01 0.3210344977E+01 -0.3378537151E-01 0.1738967435E+00 0.1235135428E+01 0.2502417861E+00 0.4180364347E+00 0.5364201581E+00 0.5951172526E+00 0.4258595477E+00 0.2458806060E+00 0.2407061763E+00 0.1017082955E+00 #BASIS SET: (12s,6p) -> [2s,1p] F S 0.1728626574E+04 0.9163596281E-02 0.3169417900E+03 0.4936149294E-01 0.8866889139E+02 0.1685383049E+00 0.3046015731E+02 0.3705627997E+00 0.1182857044E+02 0.4164915298E+00 0.4871658522E+01 0.1303340841E+00 F SP 0.6703228091E+02 -0.1325278809E-01 0.3759696623E-02 0.1326743777E+02 -0.4699171014E-01 0.3767936984E-01 0.4123509771E+01 -0.3378537151E-01 0.1738967435E+00 0.1586462839E+01 0.2502417861E+00 0.4180364347E+00 0.6890018919E+00 0.5951172526E+00 0.4258595477E+00 0.3158199784E+00 0.2407061763E+00 0.1017082955E+00 #BASIS SET: (12s,6p) -> [2s,1p] Ne S 0.2146955475E+04 0.9163596281E-02 0.3936419362E+03 0.4936149294E-01 0.1101268283E+03 0.1685383049E+00 0.3783153777E+02 0.3705627997E+00 0.1469109318E+02 0.4164915298E+00 0.6050603466E+01 0.1303340841E+00 Ne SP 0.8550442919E+02 -0.1325278809E-01 0.3759696623E-02 0.1692355799E+02 -0.4699171014E-01 0.3767936984E-01 0.5259829210E+01 -0.3378537151E-01 0.1738967435E+00 0.2023645885E+01 0.2502417861E+00 0.4180364347E+00 0.8788707870E+00 0.5951172526E+00 0.4258595477E+00 0.4028507849E+00 0.2407061763E+00 0.1017082955E+00 #BASIS SET: (18s,12p) -> [3s,2p] Na S 0.2600756771E+04 0.9163596281E-02 0.4768459071E+03 0.4936149294E-01 0.1334043010E+03 0.1685383049E+00 0.4582797788E+02 0.3705627997E+00 0.1779634487E+02 0.4164915298E+00 0.7329517596E+01 0.1303340841E+00 Na SP 0.1248424044E+03 -0.1325278809E-01 0.3759696623E-02 0.2470956992E+02 -0.4699171014E-01 0.3767936984E-01 0.7679715913E+01 -0.3378537151E-01 0.1738967435E+00 0.2954663523E+01 0.2502417861E+00 0.4180364347E+00 0.1283212382E+01 0.5951172526E+00 0.4258595477E+00 0.5881901217E+00 0.2407061763E+00 0.1017082955E+00 Na SP 0.9433006047E+01 -0.7943126362E-02 -0.7139358907E-02 0.2526243756E+01 -0.7100264172E-01 -0.1829277070E-01 0.9473682506E+00 -0.1785026925E+00 0.7621621429E-01 0.4240594435E+00 0.1510635058E+00 0.4145098597E+00 0.2098454079E+00 0.7354914767E+00 0.4889621471E+00 0.1081470943E+00 0.2760593123E+00 0.1058816521E+00 #BASIS SET: (18s,12p) -> [3s,2p] Mg S 0.3103386324E+04 0.9163596281E-02 0.5690024854E+03 0.4936149294E-01 0.1591863906E+03 0.1685383049E+00 0.5468482151E+02 0.3705627997E+00 0.2123571643E+02 0.4164915298E+00 0.8746040738E+01 0.1303340841E+00 Mg SP 0.1567952315E+03 -0.1325278809E-01 0.3759696623E-02 0.3103386828E+02 -0.4699171014E-01 0.3767936984E-01 0.9645303131E+01 -0.3378537151E-01 0.1738967435E+00 0.3710895775E+01 0.2502417861E+00 0.4180364347E+00 0.1611644564E+01 0.5951172526E+00 0.4258595477E+00 0.7387346208E+00 0.2407061763E+00 0.1017082955E+00 Mg SP 0.8901677544E+01 -0.7943126362E-02 -0.7139358907E-02 0.2383949209E+01 -0.7100264172E-01 -0.1829277070E-01 0.8940062839E+00 -0.1785026925E+00 0.7621621429E-01 0.4001736462E+00 0.1510635058E+00 0.4145098597E+00 0.1980255441E+00 0.7354914767E+00 0.4889621471E+00 0.1020555436E+00 0.2760593123E+00 0.1058816521E+00 #BASIS SET: (18s,12p) -> [3s,2p] Al S 0.3644586388E+04 0.9163596281E-02 0.6682309248E+03 0.4936149294E-01 0.1869469321E+03 0.1685383049E+00 0.6422131675E+02 0.3705627997E+00 0.2493901660E+02 0.4164915298E+00 0.1027126426E+02 0.1303340841E+00 Al SP 0.1959641441E+03 -0.1325278809E-01 0.3759696623E-02 0.3878641831E+02 -0.4699171014E-01 0.3767936984E-01 0.1205478990E+02 -0.3378537151E-01 0.1738967435E+00 0.4637912184E+01 0.2502417861E+00 0.4180364347E+00 0.2014248422E+01 0.5951172526E+00 0.4258595477E+00 0.9232774259E+00 0.2407061763E+00 0.1017082955E+00 Al SP 0.8901677544E+01 -0.7943126362E-02 -0.7139358907E-02 0.2383949209E+01 -0.7100264172E-01 -0.1829277070E-01 0.8940062839E+00 -0.1785026925E+00 0.7621621429E-01 0.4001736462E+00 0.1510635058E+00 0.4145098597E+00 0.1980255441E+00 0.7354914767E+00 0.4889621471E+00 0.1020555436E+00 0.2760593123E+00 0.1058816521E+00 #BASIS SET: (18s,12p) -> [3s,2p] Si S 0.4229261737E+04 0.9163596281E-02 0.7754305100E+03 0.4936149294E-01 0.2169375129E+03 0.1685383049E+00 0.7452389069E+02 0.3705627997E+00 0.2893980755E+02 0.4164915298E+00 0.1191901091E+02 0.1303340841E+00 Si SP 0.2404904849E+03 -0.1325278809E-01 0.3759696623E-02 0.4759934318E+02 -0.4699171014E-01 0.3767936984E-01 0.1479384038E+02 -0.3378537151E-01 0.1738967435E+00 0.5691723632E+01 0.2502417861E+00 0.4180364347E+00 0.2471919452E+01 0.5951172526E+00 0.4258595477E+00 0.1133061545E+01 0.2407061763E+00 0.1017082955E+00 Si SP 0.9433006047E+01 -0.7943126362E-02 -0.7139358907E-02 0.2526243756E+01 -0.7100264172E-01 -0.1829277070E-01 0.9473682506E+00 -0.1785026925E+00 0.7621621429E-01 0.4240594435E+00 0.1510635058E+00 0.4145098597E+00 0.2098454079E+00 0.7354914767E+00 0.4889621471E+00 0.1081470943E+00 0.2760593123E+00 0.1058816521E+00 #BASIS SET: (18s,12p) -> [3s,2p] P S 0.4857412371E+04 0.9163596281E-02 0.8906012410E+03 0.4936149294E-01 0.2491581331E+03 0.1685383049E+00 0.8559254335E+02 0.3705627997E+00 0.3323808927E+02 0.4164915298E+00 0.1368928069E+02 0.1303340841E+00 P SP 0.2906649590E+03 -0.1325278809E-01 0.3759696623E-02 0.5753018103E+02 -0.4699171014E-01 0.3767936984E-01 0.1788033738E+02 -0.3378537151E-01 0.1738967435E+00 0.6879210280E+01 0.2502417861E+00 0.4180364347E+00 0.2987645712E+01 0.5951172526E+00 0.4258595477E+00 0.1369456623E+01 0.2407061763E+00 0.1017082955E+00 P SP 0.1111939652E+02 -0.7943126362E-02 -0.7139358907E-02 0.2977874272E+01 -0.7100264172E-01 -0.1829277070E-01 0.1116734493E+01 -0.1785026925E+00 0.7621621429E-01 0.4998708868E+00 0.1510635058E+00 0.4145098597E+00 0.2473606277E+00 0.7354914767E+00 0.4889621471E+00 0.1274811462E+00 0.2760593123E+00 0.1058816521E+00 #BASIS SET: (18s,12p) -> [3s,2p] S S 0.5529038289E+04 0.9163596281E-02 0.1013743118E+04 0.4936149294E-01 0.2836087927E+03 0.1685383049E+00 0.9742727471E+02 0.3705627997E+00 0.3783386178E+02 0.4164915298E+00 0.1558207360E+02 0.1303340841E+00 S SP 0.3455896791E+03 -0.1325278809E-01 0.3759696623E-02 0.6840121655E+02 -0.4699171014E-01 0.3767936984E-01 0.2125904712E+02 -0.3378537151E-01 0.1738967435E+00 0.8179121699E+01 0.2502417861E+00 0.4180364347E+00 0.3552198128E+01 0.5951172526E+00 0.4258595477E+00 0.1628232301E+01 0.2407061763E+00 0.1017082955E+00 S SP 0.1294439442E+02 -0.7943126362E-02 -0.7139358907E-02 0.3466625105E+01 -0.7100264172E-01 -0.1829277070E-01 0.1300021248E+01 -0.1785026925E+00 0.7621621429E-01 0.5819134077E+00 0.1510635058E+00 0.4145098597E+00 0.2879592903E+00 0.7354914767E+00 0.4889621471E+00 0.1484042983E+00 0.2760593123E+00 0.1058816521E+00 #BASIS SET: (18s,12p) -> [3s,2p] Cl S 0.6236545525E+04 0.9163596281E-02 0.1143463795E+04 0.4936149294E-01 0.3198999635E+03 0.1685383049E+00 0.1098942714E+03 0.3705627997E+00 0.4267516141E+02 0.4164915298E+00 0.1757598814E+02 0.1303340841E+00 Cl SP 0.4039729660E+03 -0.1325278809E-01 0.3759696623E-02 0.7995679269E+02 -0.4699171014E-01 0.3767936984E-01 0.2485051157E+02 -0.3378537151E-01 0.1738967435E+00 0.9560887526E+01 0.2502417861E+00 0.4180364347E+00 0.4152299968E+01 0.5951172526E+00 0.4258595477E+00 0.1903302881E+01 0.2407061763E+00 0.1017082955E+00 Cl SP 0.1358352871E+02 -0.7943126362E-02 -0.7139358907E-02 0.3637791008E+01 -0.7100264172E-01 -0.1829277070E-01 0.1364210281E+01 -0.1785026925E+00 0.7621621429E-01 0.6106455986E+00 0.1510635058E+00 0.4145098597E+00 0.3021773873E+00 0.7354914767E+00 0.4889621471E+00 0.1557318157E+00 0.2760593123E+00 0.1058816521E+00 #BASIS SET: (18s,12p) -> [3s,2p] Ar S 0.6994673814E+04 0.9163596281E-02 0.1282465787E+04 0.4936149294E-01 0.3587877117E+03 0.1685383049E+00 0.1232532624E+03 0.3705627997E+00 0.4786284856E+02 0.4164915298E+00 0.1971256419E+02 0.1303340841E+00 Ar SP 0.4682992148E+03 -0.1325278809E-01 0.3759696623E-02 0.9268863609E+02 -0.4699171014E-01 0.3767936984E-01 0.2880755901E+02 -0.3378537151E-01 0.1738967435E+00 0.1108330631E+02 0.2502417861E+00 0.4180364347E+00 0.4813487481E+01 0.5951172526E+00 0.4258595477E+00 0.2206373495E+01 0.2407061763E+00 0.1017082955E+00 Ar SP 0.1672190907E+02 -0.7943126362E-02 -0.7139358907E-02 0.4478277461E+01 -0.7100264172E-01 -0.1829277070E-01 0.1679401631E+01 -0.1785026925E+00 0.7621621429E-01 0.7517310408E+00 0.1510635058E+00 0.4145098597E+00 0.3719933828E+00 0.7354914767E+00 0.4889621471E+00 0.1917125747E+00 0.2760593123E+00 0.1058816521E+00 #BASIS SET: (24s,18p) -> [4s,3p] K S 0.8001321412E+04 0.9163596281E-02 0.1467033522E+04 0.4936149294E-01 0.4104231128E+03 0.1685383049E+00 0.1409914163E+03 0.3705627997E+00 0.5475109279E+02 0.4164915298E+00 0.2254952356E+02 0.1303340841E+00 K SP 0.5433465051E+03 -0.1325278809E-01 0.3759696623E-02 0.1075424534E+03 -0.4699171014E-01 0.3767936984E-01 0.3342411435E+02 -0.3378537151E-01 0.1738967435E+00 0.1285946155E+02 0.2502417861E+00 0.4180364347E+00 0.5584872913E+01 0.5951172526E+00 0.4258595477E+00 0.2559955878E+01 0.2407061763E+00 0.1017082955E+00 K SP 0.2329374963E+02 -0.7943126362E-02 -0.7139358907E-02 0.6238275397E+01 -0.7100264172E-01 -0.1829277070E-01 0.2339419558E+01 -0.1785026925E+00 0.7621621429E-01 0.1047167197E+01 0.1510635058E+00 0.4145098597E+00 0.5181896807E+00 0.7354914767E+00 0.4889621471E+00 0.2670571103E+00 0.2760593123E+00 0.1058816521E+00 K SP 0.2791996035E+01 0.3775056180E-02 -0.7052075733E-02 0.8983681264E+00 -0.5585965266E-01 -0.5259505547E-01 0.3838418398E+00 -0.3192946152E+00 -0.3773450392E-01 0.1914081612E+00 -0.2764780132E-01 0.3874773403E+00 0.1033137261E+00 0.9049199432E+00 0.5791672602E+00 0.5744847995E-01 0.3406258162E+00 0.1221817127E+00 #BASIS SET: (24s,18p) -> [4s,3p] Ca S 0.8857157042E+04 0.9163596281E-02 0.1623950048E+04 0.4936149294E-01 0.4543227021E+03 0.1685383049E+00 0.1560721100E+03 0.3705627997E+00 0.6060736746E+02 0.4164915298E+00 0.2496146087E+02 0.1303340841E+00 Ca SP 0.6175690999E+03 -0.1325278809E-01 0.3759696623E-02 0.1222330419E+03 -0.4699171014E-01 0.3767936984E-01 0.3798993832E+02 -0.3378537151E-01 0.1738967435E+00 0.1461609860E+02 0.2502417861E+00 0.4180364347E+00 0.6347781583E+01 0.5951172526E+00 0.4258595477E+00 0.2909652740E+01 0.2407061763E+00 0.1017082955E+00 Ca SP 0.2790660509E+02 -0.7943126362E-02 -0.7139358907E-02 0.7473639527E+01 -0.7100264172E-01 -0.1829277070E-01 0.2802694233E+01 -0.1785026925E+00 0.7621621429E-01 0.1254537458E+01 0.1510635058E+00 0.4145098597E+00 0.6208066547E+00 0.7354914767E+00 0.4889621471E+00 0.3199423636E+00 0.2760593123E+00 0.1058816521E+00 Ca SP 0.2525343962E+01 0.3775056180E-02 -0.7052075733E-02 0.8125686765E+00 -0.5585965266E-01 -0.5259505547E-01 0.3471826822E+00 -0.3192946152E+00 -0.3773450392E-01 0.1731275539E+00 -0.2764780132E-01 0.3874773403E+00 0.9344665645E-01 0.9049199432E+00 0.5791672602E+00 0.5196181158E-01 0.3406258162E+00 0.1221817127E+00 #BASIS SET: (24s,18p,6d) -> [4s,3p,1d] Sc S 0.9765965612E+04 0.9163596281E-02 0.1790579105E+04 0.4936149294E-01 0.5009395073E+03 0.1685383049E+00 0.1720862408E+03 0.3705627997E+00 0.6682612307E+02 0.4164915298E+00 0.2752268785E+02 0.1303340841E+00 Sc SP 0.6965419408E+03 -0.1325278809E-01 0.3759696623E-02 0.1378638281E+03 -0.4699171014E-01 0.3767936984E-01 0.4284797502E+02 -0.3378537151E-01 0.1738967435E+00 0.1648516043E+02 0.2502417861E+00 0.4180364347E+00 0.7159516407E+01 0.5951172526E+00 0.4258595477E+00 0.3281730201E+01 0.2407061763E+00 0.1017082955E+00 Sc SP 0.2813541924E+02 -0.9737395526E-02 -0.8104943356E-02 0.8101568293E+01 -0.7265876782E-01 -0.1715478915E-01 0.3186549647E+01 -0.1716155198E+00 0.7369785762E-01 0.1456361493E+01 0.1289776243E+00 0.3965149986E+00 0.7247816118E+00 0.7288614510E+00 0.4978084880E+00 0.3722203375E+00 0.3013317422E+00 0.1174825823E+00 Sc SP 0.3495285760E+01 0.3775056180E-02 -0.7052075733E-02 0.1124662528E+01 -0.5585965266E-01 -0.5259505547E-01 0.4805296640E+00 -0.3192946152E+00 -0.3773450392E-01 0.2396229120E+00 -0.2764780132E-01 0.3874773403E+00 0.1293379328E+00 0.9049199432E+00 0.5791672602E+00 0.7191946240E-01 0.3406258162E+00 0.1221817127E+00 Sc D 0.3303913712E+01 0.6633434386E-02 0.9513589381E+00 0.5958177963E-01 0.3741932894E+00 0.2401949582E+00 0.1710190513E+00 0.4648114679E+00 0.8511036872E-01 0.3434092326E+00 0.4370945627E-01 0.5389056980E-01 #BASIS SET: (24s,18p,6d) -> [4s,3p,1d] Ti S 0.1071915049E+05 0.9163596281E-02 0.1965344508E+04 0.4936149294E-01 0.5498325692E+03 0.1685383049E+00 0.1888823272E+03 0.3705627997E+00 0.7334853490E+02 0.4164915298E+00 0.3020897724E+02 0.1303340841E+00 Ti SP 0.7802650277E+03 -0.1325278809E-01 0.3759696623E-02 0.1544348120E+03 -0.4699171014E-01 0.3767936984E-01 0.4799822446E+02 -0.3378537151E-01 0.1738967435E+00 0.1846664702E+02 0.2502417861E+00 0.4180364347E+00 0.8020077386E+01 0.5951172526E+00 0.4258595477E+00 0.3676188261E+01 0.2407061763E+00 0.1017082955E+00 Ti SP 0.3231173000E+02 -0.9737395526E-02 -0.8104943356E-02 0.9304133165E+01 -0.7265876782E-01 -0.1715478915E-01 0.3659548520E+01 -0.1716155198E+00 0.7369785762E-01 0.1672538054E+01 0.1289776243E+00 0.3965149986E+00 0.8323653382E+00 0.7288614510E+00 0.4978084880E+00 0.4274712576E+00 0.3013317422E+00 0.1174825823E+00 Ti SP 0.3945849940E+01 0.3775056180E-02 -0.7052075733E-02 0.1269638557E+01 -0.5585965266E-01 -0.5259505547E-01 0.5424729410E+00 -0.3192946152E+00 -0.3773450392E-01 0.2705118030E+00 -0.2764780132E-01 0.3874773403E+00 0.1460104007E+00 0.9049199432E+00 0.5791672602E+00 0.8119033060E-01 0.3406258162E+00 0.1221817127E+00 Ti D 0.9857130992E+01 0.6633434386E-02 0.2838351873E+01 0.5958177963E-01 0.1116394855E+01 0.2401949582E+00 0.5102303926E+00 0.4648114679E+00 0.2539243232E+00 0.3434092326E+00 0.1304058985E+00 0.5389056980E-01 #BASIS SET: (24s,18p,6d) -> [4s,3p,1d] V S 0.1172711958E+05 0.9163596281E-02 0.2150154537E+04 0.4936149294E-01 0.6015357556E+03 0.1685383049E+00 0.2066437671E+03 0.3705627997E+00 0.8024582178E+02 0.4164915298E+00 0.3304966087E+02 0.1303340841E+00 V SP 0.8687383606E+03 -0.1325278809E-01 0.3759696623E-02 0.1719459935E+03 -0.4699171014E-01 0.3767936984E-01 0.5344068663E+02 -0.3378537151E-01 0.1738967435E+00 0.2056055839E+02 0.2502417861E+00 0.4180364347E+00 0.8929464520E+01 0.5951172526E+00 0.4258595477E+00 0.4093026920E+01 0.2407061763E+00 0.1017082955E+00 V SP 0.3677692843E+02 -0.9737395526E-02 -0.8104943356E-02 0.1058988298E+02 -0.7265876782E-01 -0.1715478915E-01 0.4165266112E+01 -0.1716155198E+00 0.7369785762E-01 0.1903668182E+01 0.1289776243E+00 0.3965149986E+00 0.9473909465E+00 0.7288614510E+00 0.4978084880E+00 0.4865440459E+00 0.3013317422E+00 0.1174825823E+00 V SP 0.3945849940E+01 0.3775056180E-02 -0.7052075733E-02 0.1269638557E+01 -0.5585965266E-01 -0.5259505547E-01 0.5424729410E+00 -0.3192946152E+00 -0.3773450392E-01 0.2705118030E+00 -0.2764780132E-01 0.3874773403E+00 0.1460104007E+00 0.9049199432E+00 0.5791672602E+00 0.8119033060E-01 0.3406258162E+00 0.1221817127E+00 V D 0.1775512307E+02 0.6633434386E-02 0.5112571484E+01 0.5958177963E-01 0.2010902367E+01 0.2401949582E+00 0.9190507280E+00 0.4648114679E+00 0.4573803079E+00 0.3434092326E+00 0.2348931731E+00 0.5389056980E-01 #BASIS SET: (24s,18p,6d) -> [4s,3p,1d] Cr S 0.1278037523E+05 0.9163596281E-02 0.2343267809E+04 0.4936149294E-01 0.6555618898E+03 0.1685383049E+00 0.2252032023E+03 0.3705627997E+00 0.8745299358E+02 0.4164915298E+00 0.3601797222E+02 0.1303340841E+00 Cr SP 0.9619619397E+03 -0.1325278809E-01 0.3759696623E-02 0.1903973727E+03 -0.4699171014E-01 0.3767936984E-01 0.5917536153E+02 -0.3378537151E-01 0.1738967435E+00 0.2276689453E+02 0.2502417861E+00 0.4180364347E+00 0.9887677808E+01 0.5951172526E+00 0.4258595477E+00 0.4532246179E+01 0.2407061763E+00 0.1017082955E+00 Cr SP 0.4131830800E+02 -0.9737395526E-02 -0.8104943356E-02 0.1189756908E+02 -0.7265876782E-01 -0.1715478915E-01 0.4679611797E+01 -0.1716155198E+00 0.7369785762E-01 0.2138741641E+01 0.1289776243E+00 0.3965149986E+00 0.1064379017E+01 0.7288614510E+00 0.4978084880E+00 0.5466246804E+00 0.3013317422E+00 0.1174825823E+00 Cr SP 0.4181372125E+01 0.3775056180E-02 -0.7052075733E-02 0.1345421481E+01 -0.5585965266E-01 -0.5259505547E-01 0.5748523813E+00 -0.3192946152E+00 -0.3773450392E-01 0.2866582688E+00 -0.2764780132E-01 0.3874773403E+00 0.1547255544E+00 0.9049199432E+00 0.5791672602E+00 0.8603646625E-01 0.3406258162E+00 0.1221817127E+00 Cr D 0.2540054323E+02 0.6633434386E-02 0.7314063241E+01 0.5958177963E-01 0.2876804194E+01 0.2401949582E+00 0.1314797293E+01 0.4648114679E+00 0.6543299215E+00 0.3434092326E+00 0.3360390223E+00 0.5389056980E-01 #BASIS SET: (24s,18p,6d) -> [4s,3p,1d] Mn S 0.1386759465E+05 0.9163596281E-02 0.2542608299E+04 0.4936149294E-01 0.7113301755E+03 0.1685383049E+00 0.2443611136E+03 0.3705627997E+00 0.9489257116E+02 0.4164915298E+00 0.3908200111E+02 0.1303340841E+00 Mn SP 0.1057846193E+04 -0.1325278809E-01 0.3759696623E-02 0.2093753687E+03 -0.4699171014E-01 0.3767936984E-01 0.6507370854E+02 -0.3378537151E-01 0.1738967435E+00 0.2503620123E+02 0.2502417861E+00 0.4180364347E+00 0.1087323925E+02 0.5951172526E+00 0.4258595477E+00 0.4984001099E+01 0.2407061763E+00 0.1017082955E+00 Mn SP 0.4612400067E+02 -0.9737395526E-02 -0.8104943356E-02 0.1328136390E+02 -0.7265876782E-01 -0.1715478915E-01 0.5223892945E+01 -0.1716155198E+00 0.7369785762E-01 0.2387496625E+01 0.1289776243E+00 0.3965149986E+00 0.1188175917E+01 0.7288614510E+00 0.4978084880E+00 0.6102020713E+00 0.3013317422E+00 0.1174825823E+00 Mn SP 0.3717154485E+01 0.3775056180E-02 -0.7052075733E-02 0.1196052239E+01 -0.5585965266E-01 -0.5259505547E-01 0.5110320352E+00 -0.3192946152E+00 -0.3773450392E-01 0.2548333507E+00 -0.2764780132E-01 0.3874773403E+00 0.1375478602E+00 0.9049199432E+00 0.5791672602E+00 0.7648466265E-01 0.3406258162E+00 0.1221817127E+00 Mn D 0.3249986195E+02 0.6633434386E-02 0.9358305588E+01 0.5958177963E-01 0.3680855890E+01 0.2401949582E+00 0.1682276246E+01 0.4648114679E+00 0.8372117055E+00 0.3434092326E+00 0.4299601680E+00 0.5389056980E-01 #BASIS SET: (24s,18p,6d) -> [4s,3p,1d] Fe S 0.1501096599E+05 0.9163596281E-02 0.2752244183E+04 0.4936149294E-01 0.7699787412E+03 0.1685383049E+00 0.2645084788E+03 0.3705627997E+00 0.1027163826E+03 0.4164915298E+00 0.4230427873E+02 0.1303340841E+00 Fe SP 0.1160471300E+04 -0.1325278809E-01 0.3759696623E-02 0.2296875558E+03 -0.4699171014E-01 0.3767936984E-01 0.7138672115E+02 -0.3378537151E-01 0.1738967435E+00 0.2746504472E+02 0.2502417861E+00 0.4180364347E+00 0.1192808764E+02 0.5951172526E+00 0.4258595477E+00 0.5467515293E+01 0.2407061763E+00 0.1017082955E+00 Fe SP 0.5119400644E+02 -0.9737395526E-02 -0.8104943356E-02 0.1474126743E+02 -0.7265876782E-01 -0.1715478915E-01 0.5798109557E+01 -0.1716155198E+00 0.7369785762E-01 0.2649933133E+01 0.1289776243E+00 0.3965149986E+00 0.1318781646E+01 0.7288614510E+00 0.4978084880E+00 0.6772762188E+00 0.3013317422E+00 0.1174825823E+00 Fe SP 0.3280243765E+01 0.3775056180E-02 -0.7052075733E-02 0.1055469423E+01 -0.5585965266E-01 -0.5259505547E-01 0.4509658273E+00 -0.3192946152E+00 -0.3773450392E-01 0.2248804868E+00 -0.2764780132E-01 0.3874773403E+00 0.1213806186E+00 0.9049199432E+00 0.5791672602E+00 0.6749472985E-01 0.3406258162E+00 0.1221817127E+00 Fe D 0.3839775750E+02 0.6633434386E-02 0.1105659923E+02 0.5958177963E-01 0.4348837299E+01 0.2401949582E+00 0.1987566453E+01 0.4648114679E+00 0.9891442645E+00 0.3434092326E+00 0.5079869660E+00 0.5389056980E-01 #BASIS SET: (24s,18p,6d) -> [4s,3p,1d] Co S 0.1618739083E+05 0.9163596281E-02 0.2967940391E+04 0.4936149294E-01 0.8303227671E+03 0.1685383049E+00 0.2852382804E+03 0.3705627997E+00 0.1107663712E+03 0.4164915298E+00 0.4561970857E+02 0.1303340841E+00 Co SP 0.1267846654E+04 -0.1325278809E-01 0.3759696623E-02 0.2509399405E+03 -0.4699171014E-01 0.3767936984E-01 0.7799194648E+02 -0.3378537151E-01 0.1738967435E+00 0.3000631300E+02 0.2502417861E+00 0.4180364347E+00 0.1303176218E+02 0.5951172526E+00 0.4258595477E+00 0.5973410087E+01 0.2407061763E+00 0.1017082955E+00 Co SP 0.5652832530E+02 -0.9737395526E-02 -0.8104943356E-02 0.1627727968E+02 -0.7265876782E-01 -0.1715478915E-01 0.6402261632E+01 -0.1716155198E+00 0.7369785762E-01 0.2926051165E+01 0.1289776243E+00 0.3965149986E+00 0.1456196206E+01 0.7288614510E+00 0.4978084880E+00 0.7478471227E+00 0.3013317422E+00 0.1174825823E+00 Co SP 0.3280243765E+01 0.3775056180E-02 -0.7052075733E-02 0.1055469423E+01 -0.5585965266E-01 -0.5259505547E-01 0.4509658273E+00 -0.3192946152E+00 -0.3773450392E-01 0.2248804868E+00 -0.2764780132E-01 0.3874773403E+00 0.1213806186E+00 0.9049199432E+00 0.5791672602E+00 0.6749472985E-01 0.3406258162E+00 0.1221817127E+00 Co D 0.4589982603E+02 0.6633434386E-02 0.1321681302E+02 0.5958177963E-01 0.5198503467E+01 0.2401949582E+00 0.2375892770E+01 0.4648114679E+00 0.1182401073E+01 0.3434092326E+00 0.6072363305E+00 0.5389056980E-01 #BASIS SET: (24s,18p,6d) -> [4s,3p,1d] Ni S 0.1742087786E+05 0.9163596281E-02 0.3194098886E+04 0.4936149294E-01 0.8935937642E+03 0.1685383049E+00 0.3069735755E+03 0.3705627997E+00 0.1192068223E+03 0.4164915298E+00 0.4909595247E+02 0.1303340841E+00 Ni SP 0.1377587853E+04 -0.1325278809E-01 0.3759696623E-02 0.2726605878E+03 -0.4699171014E-01 0.3767936984E-01 0.8474270746E+02 -0.3378537151E-01 0.1738967435E+00 0.3260357407E+02 0.2502417861E+00 0.4180364347E+00 0.1415975444E+02 0.5951172526E+00 0.4258595477E+00 0.6490451468E+01 0.2407061763E+00 0.1017082955E+00 Ni SP 0.6186673993E+02 -0.9737395526E-02 -0.8104943356E-02 0.1781447130E+02 -0.7265876782E-01 -0.1715478915E-01 0.7006877582E+01 -0.1716155198E+00 0.7369785762E-01 0.3202381203E+01 0.1289776243E+00 0.3965149986E+00 0.1593716273E+01 0.7288614510E+00 0.4978084880E+00 0.8184722119E+00 0.3013317422E+00 0.1174825823E+00 Ni SP 0.3495285760E+01 0.3775056180E-02 -0.7052075733E-02 0.1124662528E+01 -0.5585965266E-01 -0.5259505547E-01 0.4805296640E+00 -0.3192946152E+00 -0.3773450392E-01 0.2396229120E+00 -0.2764780132E-01 0.3874773403E+00 0.1293379328E+00 0.9049199432E+00 0.5791672602E+00 0.7191946240E-01 0.3406258162E+00 0.1221817127E+00 Ni D 0.5166802249E+02 0.6633434386E-02 0.1487775992E+02 0.5958177963E-01 0.5851795470E+01 0.2401949582E+00 0.2674469420E+01 0.4648114679E+00 0.1330992522E+01 0.3434092326E+00 0.6835472614E+00 0.5389056980E-01 #BASIS SET: (24s,18p,6d) -> [4s,3p,1d] Cu S 0.1868650813E+05 0.9163596281E-02 0.3426150811E+04 0.4936149294E-01 0.9585135305E+03 0.1685383049E+00 0.3292752674E+03 0.3705627997E+00 0.1278672219E+03 0.4164915298E+00 0.5266278326E+02 0.1303340841E+00 Cu SP 0.1494364736E+04 -0.1325278809E-01 0.3759696623E-02 0.2957737804E+03 -0.4699171014E-01 0.3767936984E-01 0.9192627051E+02 -0.3378537151E-01 0.1738967435E+00 0.3536734970E+02 0.2502417861E+00 0.4180364347E+00 0.1536006408E+02 0.5951172526E+00 0.4258595477E+00 0.7040641197E+01 0.2407061763E+00 0.1017082955E+00 Cu SP 0.6771767076E+02 -0.9737395526E-02 -0.8104943356E-02 0.1949924150E+02 -0.7265876782E-01 -0.1715478915E-01 0.7669539880E+01 -0.1716155198E+00 0.7369785762E-01 0.3505240396E+01 0.1289776243E+00 0.3965149986E+00 0.1744438999E+01 0.7288614510E+00 0.4978084880E+00 0.8958776854E+00 0.3013317422E+00 0.1174825823E+00 Cu SP 0.3495285760E+01 0.3775056180E-02 -0.7052075733E-02 0.1124662528E+01 -0.5585965266E-01 -0.5259505547E-01 0.4805296640E+00 -0.3192946152E+00 -0.3773450392E-01 0.2396229120E+00 -0.2764780132E-01 0.3874773403E+00 0.1293379328E+00 0.9049199432E+00 0.5791672602E+00 0.7191946240E-01 0.3406258162E+00 0.1221817127E+00 Cu D 0.5777753235E+02 0.6633434386E-02 0.1663698771E+02 0.5958177963E-01 0.6543743805E+01 0.2401949582E+00 0.2990713326E+01 0.4648114679E+00 0.1488376365E+01 0.3434092326E+00 0.7643736320E+00 0.5389056980E-01 #BASIS SET: (24s,18p,6d) -> [4s,3p,1d] Zn S 0.2001011084E+05 0.9163596281E-02 0.3668831918E+04 0.4936149294E-01 0.1026406959E+04 0.1685383049E+00 0.3525984925E+03 0.3705627997E+00 0.1369243127E+03 0.4164915298E+00 0.5639299342E+02 0.1303340841E+00 Zn SP 0.1615891864E+04 -0.1325278809E-01 0.3759696623E-02 0.3198271707E+03 -0.4699171014E-01 0.3767936984E-01 0.9940204628E+02 -0.3378537151E-01 0.1738967435E+00 0.3824355010E+02 0.2502417861E+00 0.4180364347E+00 0.1660919987E+02 0.5951172526E+00 0.4258595477E+00 0.7613211526E+01 0.2407061763E+00 0.1017082955E+00 Zn SP 0.7354921499E+02 -0.9737395526E-02 -0.8104943356E-02 0.2117842933E+02 -0.7265876782E-01 -0.1715478915E-01 0.8330006498E+01 -0.1716155198E+00 0.7369785762E-01 0.3807096088E+01 0.1289776243E+00 0.3965149986E+00 0.1894662316E+01 0.7288614510E+00 0.4978084880E+00 0.9730266819E+00 0.3013317422E+00 0.1174825823E+00 Zn SP 0.4928899060E+01 0.3775056180E-02 -0.7052075733E-02 0.1585949893E+01 -0.5585965266E-01 -0.5259505547E-01 0.6776219090E+00 -0.3192946152E+00 -0.3773450392E-01 0.3379057470E+00 -0.2764780132E-01 0.3874773403E+00 0.1823866943E+00 0.9049199432E+00 0.5791672602E+00 0.1014176794E+00 0.3406258162E+00 0.1221817127E+00 Zn D 0.6555947787E+02 0.6633434386E-02 0.1887779182E+02 0.5958177963E-01 0.7425108164E+01 0.2401949582E+00 0.3393526794E+01 0.4648114679E+00 0.1688842936E+01 0.3434092326E+00 0.8673256571E+00 0.5389056980E-01 #BASIS SET: (24s,18p,6d) -> [4s,3p,1d] Ga S 0.2137900011E+05 0.9163596281E-02 0.3919816268E+04 0.4936149294E-01 0.1096623335E+04 0.1685383049E+00 0.3767197129E+03 0.3705627997E+00 0.1462912884E+03 0.4164915298E+00 0.6025083131E+02 0.1303340841E+00 Ga SP 0.1739490009E+04 -0.1325278809E-01 0.3759696623E-02 0.3442904693E+03 -0.4699171014E-01 0.3767936984E-01 0.1070052212E+03 -0.3378537151E-01 0.1738967435E+00 0.4116876556E+02 0.2502417861E+00 0.4180364347E+00 0.1787962294E+02 0.5951172526E+00 0.4258595477E+00 0.8195539368E+01 0.2407061763E+00 0.1017082955E+00 Ga SP 0.7554658101E+02 -0.9737395526E-02 -0.8104943356E-02 0.2175356905E+02 -0.7265876782E-01 -0.1715478915E-01 0.8556223350E+01 -0.1716155198E+00 0.7369785762E-01 0.3910484878E+01 0.1289776243E+00 0.3965149986E+00 0.1946115403E+01 0.7288614510E+00 0.4978084880E+00 0.9994510350E+00 0.3013317422E+00 0.1174825823E+00 Ga SP 0.4423721040E+01 0.3775056180E-02 -0.7052075733E-02 0.1423401012E+01 -0.5585965266E-01 -0.5259505547E-01 0.6081703560E+00 -0.3192946152E+00 -0.3773450392E-01 0.3032727480E+00 -0.2764780132E-01 0.3874773403E+00 0.1636933212E+00 0.9049199432E+00 0.5791672602E+00 0.9102306960E-01 0.3406258162E+00 0.1221817127E+00 Ga D 0.7554658101E+02 0.6633434386E-02 0.2175356905E+02 0.5958177963E-01 0.8556223350E+01 0.2401949582E+00 0.3910484878E+01 0.4648114679E+00 0.1946115403E+01 0.3434092326E+00 0.9994510350E+00 0.5389056980E-01 #BASIS SET: (24s,18p,6d) -> [4s,3p,1d] Ge S 0.2277866493E+05 0.9163596281E-02 0.4176443280E+04 0.4936149294E-01 0.1168418325E+04 0.1685383049E+00 0.4013832297E+03 0.3705627997E+00 0.1558688538E+03 0.4164915298E+00 0.6419540160E+02 0.1303340841E+00 Ge SP 0.1870418666E+04 -0.1325278809E-01 0.3759696623E-02 0.3702046675E+03 -0.4699171014E-01 0.3767936984E-01 0.1150593347E+03 -0.3378537151E-01 0.1738967435E+00 0.4426747332E+02 0.2502417861E+00 0.4180364347E+00 0.1922539383E+02 0.5951172526E+00 0.4258595477E+00 0.8812404632E+01 0.2407061763E+00 0.1017082955E+00 Ge SP 0.8501816438E+02 -0.9737395526E-02 -0.8104943356E-02 0.2448090284E+02 -0.7265876782E-01 -0.1715478915E-01 0.9628952013E+01 -0.1716155198E+00 0.7369785762E-01 0.4400758337E+01 0.1289776243E+00 0.3965149986E+00 0.2190107838E+01 0.7288614510E+00 0.4978084880E+00 0.1124756293E+01 0.3013317422E+00 0.1174825823E+00 Ge SP 0.5461384000E+01 0.3775056180E-02 -0.7052075733E-02 0.1757285200E+01 -0.5585965266E-01 -0.5259505547E-01 0.7508276000E+00 -0.3192946152E+00 -0.3773450392E-01 0.3744108000E+00 -0.2764780132E-01 0.3874773403E+00 0.2020905200E+00 0.9049199432E+00 0.5791672602E+00 0.1123741600E+00 0.3406258162E+00 0.1221817127E+00 Ge D 0.8501816438E+02 0.6633434386E-02 0.2448090284E+02 0.5958177963E-01 0.9628952013E+01 0.2401949582E+00 0.4400758337E+01 0.4648114679E+00 0.2190107838E+01 0.3434092326E+00 0.1124756293E+01 0.5389056980E-01 #BASIS SET: (24s,18p,6d) -> [4s,3p,1d] As S 0.2423766988E+05 0.9163596281E-02 0.4443950241E+04 0.4936149294E-01 0.1243257133E+04 0.1685383049E+00 0.4270923800E+03 0.3705627997E+00 0.1658524692E+03 0.4164915298E+00 0.6830720576E+02 0.1303340841E+00 As SP 0.2003222475E+04 -0.1325278809E-01 0.3759696623E-02 0.3964900070E+03 -0.4699171014E-01 0.3767936984E-01 0.1232287987E+03 -0.3378537151E-01 0.1738967435E+00 0.4741056057E+02 0.2502417861E+00 0.4180364347E+00 0.2059043876E+02 0.5951172526E+00 0.4258595477E+00 0.9438104600E+01 0.2407061763E+00 0.1017082955E+00 As SP 0.9504895563E+02 -0.9737395526E-02 -0.8104943356E-02 0.2736926003E+02 -0.7265876782E-01 -0.1715478915E-01 0.1076501521E+02 -0.1716155198E+00 0.7369785762E-01 0.4919977830E+01 0.1289776243E+00 0.3965149986E+00 0.2448505731E+01 0.7288614510E+00 0.4978084880E+00 0.1257459647E+01 0.3013317422E+00 0.1174825823E+00 As SP 0.6136411062E+01 0.3775056180E-02 -0.7052075733E-02 0.1974485651E+01 -0.5585965266E-01 -0.5259505547E-01 0.8436298914E+00 -0.3192946152E+00 -0.3773450392E-01 0.4206879749E+00 -0.2764780132E-01 0.3874773403E+00 0.2270689083E+00 0.9049199432E+00 0.5791672602E+00 0.1262636062E+00 0.3406258162E+00 0.1221817127E+00 As D 0.9504895563E+02 0.6633434386E-02 0.2736926003E+02 0.5958177963E-01 0.1076501521E+02 0.2401949582E+00 0.4919977830E+01 0.4648114679E+00 0.2448505731E+01 0.3434092326E+00 0.1257459647E+01 0.5389056980E-01 #BASIS SET: (24s,18p,6d) -> [4s,3p,1d] Se S 0.2572654013E+05 0.9163596281E-02 0.4716932971E+04 0.4936149294E-01 0.1319627864E+04 0.1685383049E+00 0.4533277871E+03 0.3705627997E+00 0.1760404454E+03 0.4164915298E+00 0.7250317701E+02 0.1303340841E+00 Se SP 0.2137610730E+04 -0.1325278809E-01 0.3759696623E-02 0.4230889499E+03 -0.4699171014E-01 0.3767936984E-01 0.1314957303E+03 -0.3378537151E-01 0.1738967435E+00 0.5059114713E+02 0.2502417861E+00 0.4180364347E+00 0.2197176968E+02 0.5951172526E+00 0.4258595477E+00 0.1007126962E+02 0.2407061763E+00 0.1017082955E+00 Se SP 0.1056389548E+03 -0.9737395526E-02 -0.8104943356E-02 0.3041864061E+02 -0.7265876782E-01 -0.1715478915E-01 0.1196441294E+02 -0.1716155198E+00 0.7369785762E-01 0.5468143358E+01 0.1289776243E+00 0.3965149986E+00 0.2721309082E+01 0.7288614510E+00 0.4978084880E+00 0.1397561098E+01 0.3013317422E+00 0.1174825823E+00 Se SP 0.6728971226E+01 0.3775056180E-02 -0.7052075733E-02 0.2165151095E+01 -0.5585965266E-01 -0.5259505547E-01 0.9250946860E+00 -0.3192946152E+00 -0.3773450392E-01 0.4613115467E+00 -0.2764780132E-01 0.3874773403E+00 0.2489957297E+00 0.9049199432E+00 0.5791672602E+00 0.1384562025E+00 0.3406258162E+00 0.1221817127E+00 Se D 0.1056389548E+03 0.6633434386E-02 0.3041864061E+02 0.5958177963E-01 0.1196441294E+02 0.2401949582E+00 0.5468143358E+01 0.4648114679E+00 0.2721309082E+01 0.3434092326E+00 0.1397561098E+01 0.5389056980E-01 #BASIS SET: (24s,18p,6d) -> [4s,3p,1d] Br S 0.2727566077E+05 0.9163596281E-02 0.5000962544E+04 0.4936149294E-01 0.1399089103E+04 0.1685383049E+00 0.4806248674E+03 0.3705627997E+00 0.1866407005E+03 0.4164915298E+00 0.7686894743E+02 0.1303340841E+00 Br SP 0.2279426398E+04 -0.1325278809E-01 0.3759696623E-02 0.4511579717E+03 -0.4699171014E-01 0.3767936984E-01 0.1402195613E+03 -0.3378537151E-01 0.1738967435E+00 0.5394751939E+02 0.2502417861E+00 0.4180364347E+00 0.2342944444E+02 0.5951172526E+00 0.4258595477E+00 0.1073942862E+02 0.2407061763E+00 0.1017082955E+00 Br SP 0.1167881618E+03 -0.9737395526E-02 -0.8104943356E-02 0.3362904459E+02 -0.7265876782E-01 -0.1715478915E-01 0.1322714520E+02 -0.1716155198E+00 0.7369785762E-01 0.6045254920E+01 0.1289776243E+00 0.3965149986E+00 0.3008517890E+01 0.7288614510E+00 0.4978084880E+00 0.1545060645E+01 0.3013317422E+00 0.1174825823E+00 Br SP 0.7733865882E+01 0.3775056180E-02 -0.7052075733E-02 0.2488491572E+01 -0.5585965266E-01 -0.5259505547E-01 0.1063246964E+01 -0.3192946152E+00 -0.3773450392E-01 0.5302031339E+00 -0.2764780132E-01 0.3874773403E+00 0.2861803854E+00 0.9049199432E+00 0.5791672602E+00 0.1591330480E+00 0.3406258162E+00 0.1221817127E+00 Br D 0.1167881618E+03 0.6633434386E-02 0.3362904459E+02 0.5958177963E-01 0.1322714520E+02 0.2401949582E+00 0.6045254920E+01 0.4648114679E+00 0.3008517890E+01 0.3434092326E+00 0.1545060645E+01 0.5389056980E-01 #BASIS SET: (24s,18p,6d) -> [4s,3p,1d] Kr S 0.2885373644E+05 0.9163596281E-02 0.5290300991E+04 0.4936149294E-01 0.1480035573E+04 0.1685383049E+00 0.5084321647E+03 0.3705627997E+00 0.1974390878E+03 0.4164915298E+00 0.8131631964E+02 0.1303340841E+00 Kr SP 0.2425796448E+04 -0.1325278809E-01 0.3759696623E-02 0.4801284244E+03 -0.4699171014E-01 0.3767936984E-01 0.1492235564E+03 -0.3378537151E-01 0.1738967435E+00 0.5741168085E+02 0.2502417861E+00 0.4180364347E+00 0.2493393212E+02 0.5951172526E+00 0.4258595477E+00 0.1142904540E+02 0.2407061763E+00 0.1017082955E+00 Kr SP 0.1284965766E+03 -0.9737395526E-02 -0.8104943356E-02 0.3700047197E+02 -0.7265876782E-01 -0.1715478915E-01 0.1455321200E+02 -0.1716155198E+00 0.7369785762E-01 0.6651312517E+01 0.1289776243E+00 0.3965149986E+00 0.3310132155E+01 0.7288614510E+00 0.4978084880E+00 0.1699958288E+01 0.3013317422E+00 0.1174825823E+00 Kr SP 0.8808666254E+01 0.3775056180E-02 -0.7052075733E-02 0.2834325299E+01 -0.5585965266E-01 -0.5259505547E-01 0.1211009836E+01 -0.3192946152E+00 -0.3773450392E-01 0.6038871793E+00 -0.2764780132E-01 0.3874773403E+00 0.3259517997E+00 0.9049199432E+00 0.5791672602E+00 0.1812482827E+00 0.3406258162E+00 0.1221817127E+00 Kr D 0.1284965766E+03 0.6633434386E-02 0.3700047197E+02 0.5958177963E-01 0.1455321200E+02 0.2401949582E+00 0.6651312517E+01 0.4648114679E+00 0.3310132155E+01 0.3434092326E+00 0.1699958288E+01 0.5389056980E-01 #BASIS SET: (30s,24p,6d) -> [5s,4p,1d] Rb S 0.3047618841E+05 0.9163596281E-02 0.5587775784E+04 0.4936149294E-01 0.1563258301E+04 0.1685383049E+00 0.5370214176E+03 0.3705627997E+00 0.2085411313E+03 0.4164915298E+00 0.8588875425E+02 0.1303340841E+00 Rb SP 0.2576720878E+04 -0.1325278809E-01 0.3759696623E-02 0.5100003080E+03 -0.4699171014E-01 0.3767936984E-01 0.1585077156E+03 -0.3378537151E-01 0.1738967435E+00 0.6098363152E+02 0.2502417861E+00 0.4180364347E+00 0.2648523273E+02 0.5951172526E+00 0.4258595477E+00 0.1214011997E+02 0.2407061763E+00 0.1017082955E+00 Rb SP 0.1407641994E+03 -0.9737395526E-02 -0.8104943356E-02 0.4053292275E+02 -0.7265876782E-01 -0.1715478915E-01 0.1594261333E+02 -0.1716155198E+00 0.7369785762E-01 0.7286316148E+01 0.1289776243E+00 0.3965149986E+00 0.3626151878E+01 0.7288614510E+00 0.4978084880E+00 0.1862254028E+01 0.3013317422E+00 0.1174825823E+00 Rb SP 0.1245250166E+02 0.3775056180E-02 -0.7052075733E-02 0.4006785985E+01 -0.5585965266E-01 -0.5259505547E-01 0.1711962011E+01 -0.3192946152E+00 -0.3773450392E-01 0.8536940651E+00 -0.2764780132E-01 0.3874773403E+00 0.4607865947E+00 0.9049199432E+00 0.5791672602E+00 0.2562243222E+00 0.3406258162E+00 0.1221817127E+00 Rb SP 0.2780212713E+01 0.1267447151E-01 -0.1105673292E-02 0.9950130783E+00 0.3266734788E-02 -0.6243132446E-01 0.4699669403E+00 -0.4307553998E+00 -0.1628476766E+00 0.2510192540E+00 -0.3231998962E+00 0.3210328714E+00 0.1444918926E+00 0.1104322879E+01 0.6964579592E+00 0.8477681795E-01 0.4368498702E+00 0.1493146125E+00 Rb D 0.1407641994E+03 0.6633434386E-02 0.4053292275E+02 0.5958177963E-01 0.1594261333E+02 0.2401949582E+00 0.7286316148E+01 0.4648114679E+00 0.3626151878E+01 0.3434092326E+00 0.1862254028E+01 0.5389056980E-01 #BASIS SET: (30s,24p,6d) -> [5s,4p,1d] Sr S 0.3216025385E+05 0.9163596281E-02 0.5896547340E+04 0.4936149294E-01 0.1649641455E+04 0.1685383049E+00 0.5666963626E+03 0.3705627997E+00 0.2200647808E+03 0.4164915298E+00 0.9063482949E+02 0.1303340841E+00 Sr SP 0.2732199690E+04 -0.1325278809E-01 0.3759696623E-02 0.5407736223E+03 -0.4699171014E-01 0.3767936984E-01 0.1680720388E+03 -0.3378537151E-01 0.1738967435E+00 0.6466337138E+02 0.2502417861E+00 0.4180364347E+00 0.2808334626E+02 0.5951172526E+00 0.4258595477E+00 0.1287265233E+02 0.2407061763E+00 0.1017082955E+00 Sr SP 0.1531817270E+03 -0.9737395526E-02 -0.8104943356E-02 0.4410853848E+02 -0.7265876782E-01 -0.1715478915E-01 0.1734899252E+02 -0.1716155198E+00 0.7369785762E-01 0.7929079238E+01 0.1289776243E+00 0.3965149986E+00 0.3946033220E+01 0.7288614510E+00 0.4978084880E+00 0.2026532949E+01 0.3013317422E+00 0.1174825823E+00 Sr SP 0.1363379902E+02 0.3775056180E-02 -0.7052075733E-02 0.4386886773E+01 -0.5585965266E-01 -0.5259505547E-01 0.1874366021E+01 -0.3192946152E+00 -0.3773450392E-01 0.9346791211E+00 -0.2764780132E-01 0.3874773403E+00 0.5044987741E+00 0.9049199432E+00 0.5791672602E+00 0.2805308530E+00 0.3406258162E+00 0.1221817127E+00 Sr SP 0.2495260164E+01 0.1267447151E-01 -0.1105673292E-02 0.8930311285E+00 0.3266734788E-02 -0.6243132446E-01 0.4217985835E+00 -0.4307553998E+00 -0.1628476766E+00 0.2252915189E+00 -0.3231998962E+00 0.3210328714E+00 0.1296824743E+00 0.1104322879E+01 0.6964579592E+00 0.7608778121E-01 0.4368498702E+00 0.1493146125E+00 Sr D 0.1531817270E+03 0.6633434386E-02 0.4410853848E+02 0.5958177963E-01 0.1734899252E+02 0.2401949582E+00 0.7929079238E+01 0.4648114679E+00 0.3946033220E+01 0.3434092326E+00 0.2026532949E+01 0.5389056980E-01 #BASIS SET: (30s,24p,12d) -> [5s,4p,2d] Y S 0.3387191125E+05 0.9163596281E-02 0.6210377850E+04 0.4936149294E-01 0.1737439922E+04 0.1685383049E+00 0.5968575057E+03 0.3705627997E+00 0.2317772353E+03 0.4164915298E+00 0.9545866506E+02 0.1303340841E+00 Y SP 0.2881881922E+04 -0.1325278809E-01 0.3759696623E-02 0.5703996426E+03 -0.4699171014E-01 0.3767936984E-01 0.1772797838E+03 -0.3378537151E-01 0.1738967435E+00 0.6820592277E+02 0.2502417861E+00 0.4180364347E+00 0.2962187874E+02 0.5951172526E+00 0.4258595477E+00 0.1357787433E+02 0.2407061763E+00 0.1017082955E+00 Y SP 0.1734442748E+03 -0.9737395526E-02 -0.8104943356E-02 0.4994312064E+02 -0.7265876782E-01 -0.1715478915E-01 0.1964387977E+02 -0.1716155198E+00 0.7369785762E-01 0.8977920706E+01 0.1289776243E+00 0.3965149986E+00 0.4468005967E+01 0.7288614510E+00 0.4978084880E+00 0.2294598348E+01 0.3013317422E+00 0.1174825823E+00 Y SP 0.1487599344E+02 0.3713770150E-02 -0.6877310609E-02 0.4833133390E+01 -0.5212196567E-01 -0.5085106480E-01 0.2083105480E+01 -0.3077625125E+00 -0.4206448162E-01 0.1037253831E+01 -0.6451244293E-01 0.3652395431E+00 0.5592186425E+00 0.8980784432E+00 0.5915908715E+00 0.3094550465E+00 0.3690956849E+00 0.1344127135E+00 Y SP 0.2495260164E+01 0.1267447151E-01 -0.1105673292E-02 0.8930311285E+00 0.3266734788E-02 -0.6243132446E-01 0.4217985835E+00 -0.4307553998E+00 -0.1628476766E+00 0.2252915189E+00 -0.3231998962E+00 0.3210328714E+00 0.1296824743E+00 0.1104322879E+01 0.6964579592E+00 0.7608778121E-01 0.4368498702E+00 0.1493146125E+00 Y D 0.1734442748E+03 0.6633434386E-02 0.4994312064E+02 0.5958177963E-01 0.1964387977E+02 0.2401949582E+00 0.8977920706E+01 0.4648114679E+00 0.4468005967E+01 0.3434092326E+00 0.2294598348E+01 0.5389056980E-01 Y D 0.2693706373E+01 -0.4346377641E-02 0.8751712792E+00 0.4891225526E-02 0.3772033463E+00 0.1634802602E+00 0.1878232378E+00 0.4807480840E+00 0.1012618637E+00 0.3906920727E+00 0.5603531851E-01 0.5786627339E-01 #BASIS SET: (30s,24p,12d) -> [5s,4p,2d] Zr S 0.3562794495E+05 0.9163596281E-02 0.6532344707E+04 0.4936149294E-01 0.1827514646E+04 0.1685383049E+00 0.6278006045E+03 0.3705627997E+00 0.2437933460E+03 0.4164915298E+00 0.1004075630E+03 0.1303340841E+00 Zr SP 0.3046178790E+04 -0.1325278809E-01 0.3759696623E-02 0.6029182805E+03 -0.4699171014E-01 0.3767936984E-01 0.1873865522E+03 -0.3378537151E-01 0.1738967435E+00 0.7209436088E+02 0.2502417861E+00 0.4180364347E+00 0.3131063006E+02 0.5951172526E+00 0.4258595477E+00 0.1435195262E+02 0.2407061763E+00 0.1017082955E+00 Zr SP 0.1840473804E+03 -0.9737395526E-02 -0.8104943356E-02 0.5299627521E+02 -0.7265876782E-01 -0.1715478915E-01 0.2084476190E+02 -0.1716155198E+00 0.7369785762E-01 0.9526764656E+01 0.1289776243E+00 0.3965149986E+00 0.4741146945E+01 0.7288614510E+00 0.4978084880E+00 0.2434873191E+01 0.3013317422E+00 0.1174825823E+00 Zr SP 0.1664380697E+02 0.3713770150E-02 -0.6877310609E-02 0.5407486867E+01 -0.5212196567E-01 -0.5085106480E-01 0.2330654799E+01 -0.3077625125E+00 -0.4206448162E-01 0.1160517622E+01 -0.6451244293E-01 0.3652395431E+00 0.6256743237E+00 0.8980784432E+00 0.5915908715E+00 0.3462296537E+00 0.3690956849E+00 0.1344127135E+00 Zr SP 0.2780212713E+01 0.1267447151E-01 -0.1105673292E-02 0.9950130783E+00 0.3266734788E-02 -0.6243132446E-01 0.4699669403E+00 -0.4307553998E+00 -0.1628476766E+00 0.2510192540E+00 -0.3231998962E+00 0.3210328714E+00 0.1444918926E+00 0.1104322879E+01 0.6964579592E+00 0.8477681795E-01 0.4368498702E+00 0.1493146125E+00 Zr D 0.1840473804E+03 0.6633434386E-02 0.5299627521E+02 0.5958177963E-01 0.2084476190E+02 0.2401949582E+00 0.9526764656E+01 0.4648114679E+00 0.4741146945E+01 0.3434092326E+00 0.2434873191E+01 0.5389056980E-01 Zr D 0.5225927797E+01 -0.4346377641E-02 0.1697876933E+01 0.4891225526E-02 0.7317937369E+00 0.1634802602E+00 0.3643866642E+00 0.4807480840E+00 0.1964531821E+00 0.3906920727E+00 0.1087113769E+00 0.5786627339E-01 #BASIS SET: (30s,24p,12d) -> [5s,4p,2d] Nb S 0.3744695520E+05 0.9163596281E-02 0.6865858245E+04 0.4936149294E-01 0.1920819716E+04 0.1685383049E+00 0.6598534141E+03 0.3705627997E+00 0.2562403900E+03 0.4164915298E+00 0.1055339431E+03 0.1303340841E+00 Nb SP 0.3215030039E+04 -0.1325278809E-01 0.3759696623E-02 0.6363383492E+03 -0.4699171014E-01 0.3767936984E-01 0.1977734846E+03 -0.3378537151E-01 0.1738967435E+00 0.7609058819E+02 0.2502417861E+00 0.4180364347E+00 0.3304619430E+02 0.5951172526E+00 0.4258595477E+00 0.1514748870E+02 0.2407061763E+00 0.1017082955E+00 Nb SP 0.1977436045E+03 -0.9737395526E-02 -0.8104943356E-02 0.5694009044E+02 -0.7265876782E-01 -0.1715478915E-01 0.2239596317E+02 -0.1716155198E+00 0.7369785762E-01 0.1023571636E+02 0.1289776243E+00 0.3965149986E+00 0.5093968110E+01 0.7288614510E+00 0.4978084880E+00 0.2616068755E+01 0.3013317422E+00 0.1174825823E+00 Nb SP 0.1851084784E+02 0.3713770150E-02 -0.6877310609E-02 0.6014078797E+01 -0.5212196567E-01 -0.5085106480E-01 0.2592099057E+01 -0.3077625125E+00 -0.4206448162E-01 0.1290700208E+01 -0.6451244293E-01 0.3652395431E+00 0.6958601614E+00 0.8980784432E+00 0.5915908715E+00 0.3850684191E+00 0.3690956849E+00 0.1344127135E+00 Nb SP 0.2780212713E+01 0.1267447151E-01 -0.1105673292E-02 0.9950130783E+00 0.3266734788E-02 -0.6243132446E-01 0.4699669403E+00 -0.4307553998E+00 -0.1628476766E+00 0.2510192540E+00 -0.3231998962E+00 0.3210328714E+00 0.1444918926E+00 0.1104322879E+01 0.6964579592E+00 0.8477681795E-01 0.4368498702E+00 0.1493146125E+00 Nb D 0.1977436045E+03 0.6633434386E-02 0.5694009044E+02 0.5958177963E-01 0.2239596317E+02 0.2401949582E+00 0.1023571636E+02 0.4648114679E+00 0.5093968110E+01 0.3434092326E+00 0.2616068755E+01 0.5389056980E-01 Nb D 0.7916198319E+01 -0.4346377641E-02 0.2571931923E+01 0.4891225526E-02 0.1108515957E+01 0.1634802602E+00 0.5519703316E+00 0.4807480840E+00 0.2975858853E+00 0.3906920727E+00 0.1646752217E+00 0.5786627339E-01 #BASIS SET: (30s,24p,12d) -> [5s,4p,2d] Mo S 0.3929219433E+05 0.9163596281E-02 0.7204180819E+04 0.4936149294E-01 0.2015470180E+04 0.1685383049E+00 0.6923684031E+03 0.3705627997E+00 0.2688669117E+03 0.4164915298E+00 0.1107342420E+03 0.1303340841E+00 Mo SP 0.3384698767E+04 -0.1325278809E-01 0.3759696623E-02 0.6699202185E+03 -0.4699171014E-01 0.3767936984E-01 0.2082107046E+03 -0.3378537151E-01 0.1738967435E+00 0.8010616290E+02 0.2502417861E+00 0.4180364347E+00 0.3479016114E+02 0.5951172526E+00 0.4258595477E+00 0.1594687630E+02 0.2407061763E+00 0.1017082955E+00 Mo SP 0.2124127083E+03 -0.9737395526E-02 -0.8104943356E-02 0.6116404550E+02 -0.7265876782E-01 -0.1715478915E-01 0.2405735045E+02 -0.1716155198E+00 0.7369785762E-01 0.1099502681E+02 0.1289776243E+00 0.3965149986E+00 0.5471851114E+01 0.7288614510E+00 0.4978084880E+00 0.2810135129E+01 0.3013317422E+00 0.1174825823E+00 Mo SP 0.2058335254E+02 0.3713770150E-02 -0.6877310609E-02 0.6687424863E+01 -0.5212196567E-01 -0.5085106480E-01 0.2882314693E+01 -0.3077625125E+00 -0.4206448162E-01 0.1435209108E+01 -0.6451244293E-01 0.3652395431E+00 0.7737697995E+00 0.8980784432E+00 0.5915908715E+00 0.4281813070E+00 0.3690956849E+00 0.1344127135E+00 Mo SP 0.2928465053E+01 0.1267447151E-01 -0.1105673292E-02 0.1048071255E+01 0.3266734788E-02 -0.6243132446E-01 0.4950275043E+00 -0.4307553998E+00 -0.1628476766E+00 0.2644046298E+00 -0.3231998962E+00 0.3210328714E+00 0.1521967927E+00 0.1104322879E+01 0.6964579592E+00 0.8929746545E-01 0.4368498702E+00 0.1493146125E+00 Mo D 0.2124127083E+03 0.6633434386E-02 0.6116404550E+02 0.5958177963E-01 0.2405735045E+02 0.2401949582E+00 0.1099502681E+02 0.4648114679E+00 0.5471851114E+01 0.3434092326E+00 0.2810135129E+01 0.5389056980E-01 Mo D 0.1001893850E+02 -0.4346377641E-02 0.3255101340E+01 0.4891225526E-02 0.1402965508E+01 0.1634802602E+00 0.6985874509E+00 0.4807480840E+00 0.3766321360E+00 0.3906920727E+00 0.2084170775E+00 0.5786627339E-01 #BASIS SET: (30s,24p,12d) -> [5s,4p,2d] Tc S 0.4118180976E+05 0.9163596281E-02 0.7550639739E+04 0.4936149294E-01 0.2112396901E+04 0.1685383049E+00 0.7256653477E+03 0.3705627997E+00 0.2817970896E+03 0.4164915298E+00 0.1160596033E+03 0.1303340841E+00 Tc SP 0.3562561876E+04 -0.1325278809E-01 0.3759696623E-02 0.7051239695E+03 -0.4699171014E-01 0.3767936984E-01 0.2191520041E+03 -0.3378537151E-01 0.1738967435E+00 0.8431567522E+02 0.2502417861E+00 0.4180364347E+00 0.3661835521E+02 0.5951172526E+00 0.4258595477E+00 0.1678487140E+02 0.2407061763E+00 0.1017082955E+00 Tc SP 0.2281054793E+03 -0.9737395526E-02 -0.8104943356E-02 0.6568276458E+02 -0.7265876782E-01 -0.1715478915E-01 0.2583467580E+02 -0.1716155198E+00 0.7369785762E-01 0.1180732491E+02 0.1289776243E+00 0.3965149986E+00 0.5876104263E+01 0.7288614510E+00 0.4978084880E+00 0.3017744209E+01 0.3013317422E+00 0.1174825823E+00 Tc SP 0.2254261162E+02 0.3713770150E-02 -0.6877310609E-02 0.7323978014E+01 -0.5212196567E-01 -0.5085106480E-01 0.3156672392E+01 -0.3077625125E+00 -0.4206448162E-01 0.1571821765E+01 -0.6451244293E-01 0.3652395431E+00 0.8474223061E+00 0.8980784432E+00 0.5915908715E+00 0.4689384244E+00 0.3690956849E+00 0.1344127135E+00 Tc SP 0.2635811083E+01 0.1267447151E-01 -0.1105673292E-02 0.9433330362E+00 0.3266734788E-02 -0.6243132446E-01 0.4455573000E+00 -0.4307553998E+00 -0.1628476766E+00 0.2379815504E+00 -0.3231998962E+00 0.3210328714E+00 0.1369871198E+00 0.1104322879E+01 0.6964579592E+00 0.8037358988E-01 0.4368498702E+00 0.1493146125E+00 Tc D 0.2281054793E+03 0.6633434386E-02 0.6568276458E+02 0.5958177963E-01 0.2583467580E+02 0.2401949582E+00 0.1180732491E+02 0.4648114679E+00 0.5876104263E+01 0.3434092326E+00 0.3017744209E+01 0.5389056980E-01 Tc D 0.1236905987E+02 -0.4346377641E-02 0.4018643629E+01 0.4891225526E-02 0.1732056182E+01 0.1634802602E+00 0.8624536431E+00 0.4807480840E+00 0.4649779457E+00 0.3906920727E+00 0.2573050340E+00 0.5786627339E-01 #BASIS SET: (30s,24p,12d) -> [5s,4p,2d] Ru S 0.4313576482E+05 0.9163596281E-02 0.7908895261E+04 0.4936149294E-01 0.2212623885E+04 0.1685383049E+00 0.7600960219E+03 0.3705627997E+00 0.2951675280E+03 0.4164915298E+00 0.1215662882E+03 0.1303340841E+00 Ru SP 0.3741050723E+04 -0.1325278809E-01 0.3759696623E-02 0.7404515703E+03 -0.4699171014E-01 0.3767936984E-01 0.2301317962E+03 -0.3378537151E-01 0.1738967435E+00 0.8853999697E+02 0.2502417861E+00 0.4180364347E+00 0.3845298102E+02 0.5951172526E+00 0.4258595477E+00 0.1762581464E+02 0.2407061763E+00 0.1017082955E+00 Ru SP 0.2438411192E+03 -0.9737395526E-02 -0.8104943356E-02 0.7021382775E+02 -0.7265876782E-01 -0.1715478915E-01 0.2761685639E+02 -0.1716155198E+00 0.7369785762E-01 0.1262184200E+02 0.1289776243E+00 0.3965149986E+00 0.6281461737E+01 0.7288614510E+00 0.4978084880E+00 0.3225920429E+01 0.3013317422E+00 0.1174825823E+00 Ru SP 0.2470733453E+02 0.3713770150E-02 -0.6877310609E-02 0.8027285301E+01 -0.5212196567E-01 -0.5085106480E-01 0.3459801469E+01 -0.3077625125E+00 -0.4206448162E-01 0.1722760735E+01 -0.6451244293E-01 0.3652395431E+00 0.9287986130E+00 0.8980784432E+00 0.5915908715E+00 0.5139696643E+00 0.3690956849E+00 0.1344127135E+00 Ru SP 0.2358559954E+01 0.1267447151E-01 -0.1105673292E-02 0.8441073552E+00 0.3266734788E-02 -0.6243132446E-01 0.3986907907E+00 -0.4307553998E+00 -0.1628476766E+00 0.2129491594E+00 -0.3231998962E+00 0.3210328714E+00 0.1225779560E+00 0.1104322879E+01 0.6964579592E+00 0.7191939196E-01 0.4368498702E+00 0.1493146125E+00 Ru D 0.2438411192E+03 0.6633434386E-02 0.7021382775E+02 0.5958177963E-01 0.2761685639E+02 0.2401949582E+00 0.1262184200E+02 0.4648114679E+00 0.6281461737E+01 0.3434092326E+00 0.3225920429E+01 0.5389056980E-01 Ru D 0.1407324146E+02 -0.4346377641E-02 0.4572323418E+01 0.4891225526E-02 0.1970695034E+01 0.1634802602E+00 0.9812805895E+00 0.4807480840E+00 0.5290415738E+00 0.3906920727E+00 0.2927559498E+00 0.5786627339E-01 #BASIS SET: (30s,24p,12d) -> [5s,4p,2d] Rh S 0.4511458567E+05 0.9163596281E-02 0.8271709898E+04 0.4936149294E-01 0.2314126346E+04 0.1685383049E+00 0.7949648568E+03 0.3705627997E+00 0.3087081169E+03 0.4164915298E+00 0.1271430505E+03 0.1303340841E+00 Rh SP 0.3923902208E+04 -0.1325278809E-01 0.3759696623E-02 0.7766426513E+03 -0.4699171014E-01 0.3767936984E-01 0.2413799572E+03 -0.3378537151E-01 0.1738967435E+00 0.9286756994E+02 0.2502417861E+00 0.4180364347E+00 0.4033244891E+02 0.5951172526E+00 0.4258595477E+00 0.1848731229E+02 0.2407061763E+00 0.1017082955E+00 Rh SP 0.2606348307E+03 -0.9737395526E-02 -0.8104943356E-02 0.7504956164E+02 -0.7265876782E-01 -0.1715478915E-01 0.2951887160E+02 -0.1716155198E+00 0.7369785762E-01 0.1349112760E+02 0.1289776243E+00 0.3965149986E+00 0.6714075631E+01 0.7288614510E+00 0.4978084880E+00 0.3448094511E+01 0.3013317422E+00 0.1174825823E+00 Rh SP 0.2672830148E+02 0.3713770150E-02 -0.6877310609E-02 0.8683887018E+01 -0.5212196567E-01 -0.5085106480E-01 0.3742800204E+01 -0.3077625125E+00 -0.4206448162E-01 0.1863676077E+01 -0.6451244293E-01 0.3652395431E+00 0.1004770843E+01 0.8980784432E+00 0.5915908715E+00 0.5560104479E+00 0.3690956849E+00 0.1344127135E+00 Rh SP 0.2358559954E+01 0.1267447151E-01 -0.1105673292E-02 0.8441073552E+00 0.3266734788E-02 -0.6243132446E-01 0.3986907907E+00 -0.4307553998E+00 -0.1628476766E+00 0.2129491594E+00 -0.3231998962E+00 0.3210328714E+00 0.1225779560E+00 0.1104322879E+01 0.6964579592E+00 0.7191939196E-01 0.4368498702E+00 0.1493146125E+00 Rh D 0.2606348307E+03 0.6633434386E-02 0.7504956164E+02 0.5958177963E-01 0.2951887160E+02 0.2401949582E+00 0.1349112760E+02 0.4648114679E+00 0.6714075631E+01 0.3434092326E+00 0.3448094511E+01 0.5389056980E-01 Rh D 0.1635808168E+02 -0.4346377641E-02 0.5314656200E+01 0.4891225526E-02 0.2290644301E+01 0.1634802602E+00 0.1140594943E+01 0.4807480840E+00 0.6149333332E+00 0.3906920727E+00 0.3402859074E+00 0.5786627339E-01 #BASIS SET: (30s,24p,12d) -> [5s,4p,2d] Pd S 0.4713778283E+05 0.9163596281E-02 0.8642660882E+04 0.4936149294E-01 0.2417905064E+04 0.1685383049E+00 0.8306156472E+03 0.3705627997E+00 0.3225523621E+03 0.4164915298E+00 0.1328448752E+03 0.1303340841E+00 Pd SP 0.4111116333E+04 -0.1325278809E-01 0.3759696623E-02 0.8136972125E+03 -0.4699171014E-01 0.3767936984E-01 0.2528964871E+03 -0.3378537151E-01 0.1738967435E+00 0.9729839414E+02 0.2502417861E+00 0.4180364347E+00 0.4225675888E+02 0.5951172526E+00 0.4258595477E+00 0.1936936434E+02 0.2407061763E+00 0.1017082955E+00 Pd SP 0.2779877501E+03 -0.9737395526E-02 -0.8104943356E-02 0.8004631893E+02 -0.7265876782E-01 -0.1715478915E-01 0.3148422134E+02 -0.1716155198E+00 0.7369785762E-01 0.1438935923E+02 0.1289776243E+00 0.3965149986E+00 0.7161094983E+01 0.7288614510E+00 0.4978084880E+00 0.3677666690E+01 0.3013317422E+00 0.1174825823E+00 Pd SP 0.2895473226E+02 0.3713770150E-02 -0.6877310609E-02 0.9407242872E+01 -0.5212196567E-01 -0.5085106480E-01 0.4054570317E+01 -0.3077625125E+00 -0.4206448162E-01 0.2018917733E+01 -0.6451244293E-01 0.3652395431E+00 0.1088466873E+01 0.8980784432E+00 0.5915908715E+00 0.6023253540E+00 0.3690956849E+00 0.1344127135E+00 Pd SP 0.2495260164E+01 0.1267447151E-01 -0.1105673292E-02 0.8930311285E+00 0.3266734788E-02 -0.6243132446E-01 0.4217985835E+00 -0.4307553998E+00 -0.1628476766E+00 0.2252915189E+00 -0.3231998962E+00 0.3210328714E+00 0.1296824743E+00 0.1104322879E+01 0.6964579592E+00 0.7608778121E-01 0.4368498702E+00 0.1493146125E+00 Pd D 0.2779877501E+03 0.6633434386E-02 0.8004631893E+02 0.5958177963E-01 0.3148422134E+02 0.2401949582E+00 0.1438935923E+02 0.4648114679E+00 0.7161094983E+01 0.3434092326E+00 0.3677666690E+01 0.5389056980E-01 Pd D 0.1781144622E+02 -0.4346377641E-02 0.5786846826E+01 0.4891225526E-02 0.2494160902E+01 0.1634802602E+00 0.1241933246E+01 0.4807480840E+00 0.6695682418E+00 0.3906920727E+00 0.3705192489E+00 0.5786627339E-01 #BASIS SET: (30s,24p,12d) -> [5s,4p,2d] Ag S 0.4920535629E+05 0.9163596281E-02 0.9021748212E+04 0.4936149294E-01 0.2523960038E+04 0.1685383049E+00 0.8670483931E+03 0.3705627997E+00 0.3367002635E+03 0.4164915298E+00 0.1386717623E+03 0.1303340841E+00 Ag SP 0.4302693097E+04 -0.1325278809E-01 0.3759696623E-02 0.8516152538E+03 -0.4699171014E-01 0.3767936984E-01 0.2646813861E+03 -0.3378537151E-01 0.1738967435E+00 0.1018324696E+03 0.2502417861E+00 0.4180364347E+00 0.4422591092E+02 0.5951172526E+00 0.4258595477E+00 0.2027197080E+02 0.2407061763E+00 0.1017082955E+00 Ag SP 0.2958998773E+03 -0.9737395526E-02 -0.8104943356E-02 0.8520409962E+02 -0.7265876782E-01 -0.1715478915E-01 0.3351290562E+02 -0.1716155198E+00 0.7369785762E-01 0.1531653690E+02 0.1289776243E+00 0.3965149986E+00 0.7622519792E+01 0.7288614510E+00 0.4978084880E+00 0.3914636965E+01 0.3013317422E+00 0.1174825823E+00 Ag SP 0.3113924567E+02 0.3713770150E-02 -0.6877310609E-02 0.1011697999E+02 -0.5212196567E-01 -0.5085106480E-01 0.4360470684E+01 -0.3077625125E+00 -0.4206448162E-01 0.2171236629E+01 -0.6451244293E-01 0.3652395431E+00 0.1170587145E+01 0.8980784432E+00 0.5915908715E+00 0.6477682820E+00 0.3690956849E+00 0.1344127135E+00 Ag SP 0.2495260164E+01 0.1267447151E-01 -0.1105673292E-02 0.8930311285E+00 0.3266734788E-02 -0.6243132446E-01 0.4217985835E+00 -0.4307553998E+00 -0.1628476766E+00 0.2252915189E+00 -0.3231998962E+00 0.3210328714E+00 0.1296824743E+00 0.1104322879E+01 0.6964579592E+00 0.7608778121E-01 0.4368498702E+00 0.1493146125E+00 Ag D 0.2958998773E+03 0.6633434386E-02 0.8520409962E+02 0.5958177963E-01 0.3351290562E+02 0.2401949582E+00 0.1531653690E+02 0.4648114679E+00 0.7622519792E+01 0.3434092326E+00 0.3914636965E+01 0.5389056980E-01 Ag D 0.1932665605E+02 -0.4346377641E-02 0.6279130671E+01 0.4891225526E-02 0.2706337785E+01 0.1634802602E+00 0.1347583817E+01 0.4807480840E+00 0.7265280402E+00 0.3906920727E+00 0.4020391156E+00 0.5786627339E-01 #BASIS SET: (30s,24p,12d) -> [5s,4p,2d] Cd S 0.5133908528E+05 0.9163596281E-02 0.9412965087E+04 0.4936149294E-01 0.2633408421E+04 0.1685383049E+00 0.9046468668E+03 0.3705627997E+00 0.3513008510E+03 0.4164915298E+00 0.1446850905E+03 0.1303340841E+00 Cd SP 0.4494326559E+04 -0.1325278809E-01 0.3759696623E-02 0.8895445171E+03 -0.4699171014E-01 0.3767936984E-01 0.2764697729E+03 -0.3378537151E-01 0.1738967435E+00 0.1063678868E+03 0.2502417861E+00 0.4180364347E+00 0.4619564574E+02 0.5951172526E+00 0.4258595477E+00 0.2117484438E+02 0.2407061763E+00 0.1017082955E+00 Cd SP 0.3149574523E+03 -0.9737395526E-02 -0.8104943356E-02 0.9069171095E+02 -0.7265876782E-01 -0.1715478915E-01 0.3567132055E+02 -0.1716155198E+00 0.7369785762E-01 0.1630300588E+02 0.1289776243E+00 0.3965149986E+00 0.8113451873E+01 0.7288614510E+00 0.4978084880E+00 0.4166761056E+01 0.3013317422E+00 0.1174825823E+00 Cd SP 0.3340319593E+02 0.3713770150E-02 -0.6877310609E-02 0.1085252573E+02 -0.5212196567E-01 -0.5085106480E-01 0.4677494700E+01 -0.3077625125E+00 -0.4206448162E-01 0.2329094395E+01 -0.6451244293E-01 0.3652395431E+00 0.1255693608E+01 0.8980784432E+00 0.5915908715E+00 0.6948636800E+00 0.3690956849E+00 0.1344127135E+00 Cd SP 0.3396326334E+01 0.1267447151E-01 -0.1105673292E-02 0.1215514592E+01 0.3266734788E-02 -0.6243132446E-01 0.5741147387E+00 -0.4307553998E+00 -0.1628476766E+00 0.3066467896E+00 -0.3231998962E+00 0.3210328714E+00 0.1765122566E+00 0.1104322879E+01 0.6964579592E+00 0.1035639244E+00 0.4368498702E+00 0.1493146125E+00 Cd D 0.3149574523E+03 0.6633434386E-02 0.9069171095E+02 0.5958177963E-01 0.3567132055E+02 0.2401949582E+00 0.1630300588E+02 0.4648114679E+00 0.8113451873E+01 0.3434092326E+00 0.4166761056E+01 0.5389056980E-01 Cd D 0.2144313963E+02 -0.4346377641E-02 0.6966765247E+01 0.4891225526E-02 0.3002711842E+01 0.1634802602E+00 0.1495159219E+01 0.4807480840E+00 0.8060909331E+00 0.3906920727E+00 0.4460668659E+00 0.5786627339E-01 #BASIS SET: (30s,24p,12d) -> [5s,4p,2d] In S 0.5349586416E+05 0.9163596281E-02 0.9808408134E+04 0.4936149294E-01 0.2744039136E+04 0.1685383049E+00 0.9426515030E+03 0.3705627997E+00 0.3660591634E+03 0.4164915298E+00 0.1507633786E+03 0.1303340841E+00 In SP 0.4690135042E+04 -0.1325278809E-01 0.3759696623E-02 0.9283001260E+03 -0.4699171014E-01 0.3767936984E-01 0.2885149872E+03 -0.3378537151E-01 0.1738967435E+00 0.1110021150E+03 0.2502417861E+00 0.4180364347E+00 0.4820829418E+02 0.5951172526E+00 0.4258595477E+00 0.2209738842E+02 0.2407061763E+00 0.1017082955E+00 In SP 0.3352145391E+03 -0.9737395526E-02 -0.8104943356E-02 0.9652472061E+02 -0.7265876782E-01 -0.1715478915E-01 0.3796558929E+02 -0.1716155198E+00 0.7369785762E-01 0.1735156467E+02 0.1289776243E+00 0.3965149986E+00 0.8635283942E+01 0.7288614510E+00 0.4978084880E+00 0.4434754209E+01 0.3013317422E+00 0.1174825823E+00 In SP 0.2971666635E+02 0.3713770150E-02 -0.6877310609E-02 0.9654791319E+01 -0.5212196567E-01 -0.5085106480E-01 0.4161264977E+01 -0.3077625125E+00 -0.4206448162E-01 0.2072044878E+01 -0.6451244293E-01 0.3652395431E+00 0.1117109515E+01 0.8980784432E+00 0.5915908715E+00 0.6181753441E+00 0.3690956849E+00 0.1344127135E+00 In SP 0.3236521863E+01 0.1267447151E-01 -0.1105673292E-02 0.1158322012E+01 0.3266734788E-02 -0.6243132446E-01 0.5471014035E+00 -0.4307553998E+00 -0.1628476766E+00 0.2922183975E+00 -0.3231998962E+00 0.3210328714E+00 0.1682069747E+00 0.1104322879E+01 0.6964579592E+00 0.9869101869E-01 0.4368498702E+00 0.1493146125E+00 In D 0.3352145391E+03 0.6633434386E-02 0.9652472061E+02 0.5958177963E-01 0.3796558929E+02 0.2401949582E+00 0.1735156467E+02 0.4648114679E+00 0.8635283942E+01 0.3434092326E+00 0.4434754209E+01 0.5389056980E-01 In D 0.2971666635E+02 -0.4346377641E-02 0.9654791319E+01 0.4891225526E-02 0.4161264977E+01 0.1634802602E+00 0.2072044878E+01 0.4807480840E+00 0.1117109515E+01 0.3906920727E+00 0.6181753441E+00 0.5786627339E-01 #BASIS SET: (30s,24p,12d) -> [5s,4p,2d] Sn S 0.5569701935E+05 0.9163596281E-02 0.1021198753E+05 0.4936149294E-01 0.2856946107E+04 0.1685383049E+00 0.9814380948E+03 0.3705627997E+00 0.3811211320E+03 0.4164915298E+00 0.1569667290E+03 0.1303340841E+00 Sn SP 0.4894610044E+04 -0.1325278809E-01 0.3759696623E-02 0.9687710651E+03 -0.4699171014E-01 0.3767936984E-01 0.3010933249E+03 -0.3378537151E-01 0.1738967435E+00 0.1158414549E+03 0.2502417861E+00 0.4180364347E+00 0.5031002279E+02 0.5951172526E+00 0.4258595477E+00 0.2306076442E+02 0.2407061763E+00 0.1017082955E+00 Sn SP 0.3542344331E+03 -0.9737395526E-02 -0.8104943356E-02 0.1020014817E+03 -0.7265876782E-01 -0.1715478915E-01 0.4011973656E+02 -0.1716155198E+00 0.7369785762E-01 0.1833608319E+02 0.1289776243E+00 0.3965149986E+00 0.9125245343E+01 0.7288614510E+00 0.4978084880E+00 0.4686379795E+01 0.3013317422E+00 0.1174825823E+00 Sn SP 0.3286335518E+02 0.3713770150E-02 -0.6877310609E-02 0.1067713426E+02 -0.5212196567E-01 -0.5085106480E-01 0.4601900070E+01 -0.3077625125E+00 -0.4206448162E-01 0.2291453084E+01 -0.6451244293E-01 0.3652395431E+00 0.1235399904E+01 0.8980784432E+00 0.5915908715E+00 0.6836337448E+00 0.3690956849E+00 0.1344127135E+00 Sn SP 0.3559981514E+01 0.1267447151E-01 -0.1105673292E-02 0.1274085306E+01 0.3266734788E-02 -0.6243132446E-01 0.6017789976E+00 -0.4307553998E+00 -0.1628476766E+00 0.3214228537E+00 -0.3231998962E+00 0.3210328714E+00 0.1850176658E+00 0.1104322879E+01 0.6964579592E+00 0.1085542496E+00 0.4368498702E+00 0.1493146125E+00 Sn D 0.3542344331E+03 0.6633434386E-02 0.1020014817E+03 0.5958177963E-01 0.4011973656E+02 0.2401949582E+00 0.1833608319E+02 0.4648114679E+00 0.9125245343E+01 0.3434092326E+00 0.4686379795E+01 0.5389056980E-01 Sn D 0.3286335518E+02 -0.4346377641E-02 0.1067713426E+02 0.4891225526E-02 0.4601900070E+01 0.1634802602E+00 0.2291453084E+01 0.4807480840E+00 0.1235399904E+01 0.3906920727E+00 0.6836337448E+00 0.5786627339E-01 #BASIS SET: (30s,24p,12d) -> [5s,4p,2d] Sb S 0.5794255084E+05 0.9163596281E-02 0.1062370327E+05 0.4936149294E-01 0.2972129334E+04 0.1685383049E+00 0.1021006642E+04 0.3705627997E+00 0.3964867568E+03 0.4164915298E+00 0.1632951419E+03 0.1303340841E+00 Sb SP 0.5103447685E+04 -0.1325278809E-01 0.3759696623E-02 0.1010105484E+04 -0.4699171014E-01 0.3767936984E-01 0.3139400317E+03 -0.3378537151E-01 0.1738967435E+00 0.1207840460E+03 0.2502417861E+00 0.4180364347E+00 0.5245659348E+02 0.5951172526E+00 0.4258595477E+00 0.2404469482E+02 0.2407061763E+00 0.1017082955E+00 Sb SP 0.3744183423E+03 -0.9737395526E-02 -0.8104943356E-02 0.1078134200E+03 -0.7265876782E-01 -0.1715478915E-01 0.4240571738E+02 -0.1716155198E+00 0.7369785762E-01 0.1938085412E+02 0.1289776243E+00 0.3965149986E+00 0.9645192323E+01 0.7288614510E+00 0.4978084880E+00 0.4953404837E+01 0.3013317422E+00 0.1174825823E+00 Sb SP 0.3602749813E+02 0.3713770150E-02 -0.6877310609E-02 0.1170514795E+02 -0.5212196567E-01 -0.5085106480E-01 0.5044979287E+01 -0.3077625125E+00 -0.4206448162E-01 0.2512078309E+01 -0.6451244293E-01 0.3652395431E+00 0.1354346429E+01 0.8980784432E+00 0.5915908715E+00 0.7494552314E+00 0.3690956849E+00 0.1344127135E+00 Sb SP 0.3727487405E+01 0.1267447151E-01 -0.1105673292E-02 0.1334034155E+01 0.3266734788E-02 -0.6243132446E-01 0.6300941803E+00 -0.4307553998E+00 -0.1628476766E+00 0.3365465899E+00 -0.3231998962E+00 0.3210328714E+00 0.1937232023E+00 0.1104322879E+01 0.6964579592E+00 0.1136619942E+00 0.4368498702E+00 0.1493146125E+00 Sb D 0.3744183423E+03 0.6633434386E-02 0.1078134200E+03 0.5958177963E-01 0.4240571738E+02 0.2401949582E+00 0.1938085412E+02 0.4648114679E+00 0.9645192323E+01 0.3434092326E+00 0.4953404837E+01 0.5389056980E-01 Sb D 0.3602749813E+02 -0.4346377641E-02 0.1170514795E+02 0.4891225526E-02 0.5044979287E+01 0.1634802602E+00 0.2512078309E+01 0.4807480840E+00 0.1354346429E+01 0.3906920727E+00 0.7494552314E+00 0.5786627339E-01 #BASIS SET: (30s,24p,12d) -> [5s,4p,2d] Te S 0.6025605376E+05 0.9163596281E-02 0.1104788150E+05 0.4936149294E-01 0.3090799116E+04 0.1685383049E+00 0.1061772915E+04 0.3705627997E+00 0.4123174936E+03 0.4164915298E+00 0.1698151135E+03 0.1303340841E+00 Te SP 0.5316647965E+04 -0.1325278809E-01 0.3759696623E-02 0.1052303384E+04 -0.4699171014E-01 0.3767936984E-01 0.3270551073E+03 -0.3378537151E-01 0.1738967435E+00 0.1258298883E+03 0.2502417861E+00 0.4180364347E+00 0.5464800625E+02 0.5951172526E+00 0.4258595477E+00 0.2504917963E+02 0.2407061763E+00 0.1017082955E+00 Te SP 0.3951614594E+03 -0.9737395526E-02 -0.8104943356E-02 0.1137863816E+03 -0.7265876782E-01 -0.1715478915E-01 0.4475503274E+02 -0.1716155198E+00 0.7369785762E-01 0.2045457109E+02 0.1289776243E+00 0.3965149986E+00 0.1017954476E+02 0.7288614510E+00 0.4978084880E+00 0.5227827975E+01 0.3013317422E+00 0.1174825823E+00 Te SP 0.3948423806E+02 0.3713770150E-02 -0.6877310609E-02 0.1282822489E+02 -0.5212196567E-01 -0.5085106480E-01 0.5529031254E+01 -0.3077625125E+00 -0.4206448162E-01 0.2753105354E+01 -0.6451244293E-01 0.3652395431E+00 0.1484292265E+01 0.8980784432E+00 0.5915908715E+00 0.8213634116E+00 0.3690956849E+00 0.1344127135E+00 Te SP 0.4003506307E+01 0.1267447151E-01 -0.1105673292E-02 0.1432818833E+01 0.3266734788E-02 -0.6243132446E-01 0.6767523940E+00 -0.4307553998E+00 -0.1628476766E+00 0.3614677258E+00 -0.3231998962E+00 0.3210328714E+00 0.2080683254E+00 0.1104322879E+01 0.6964579592E+00 0.1220786179E+00 0.4368498702E+00 0.1493146125E+00 Te D 0.3951614594E+03 0.6633434386E-02 0.1137863816E+03 0.5958177963E-01 0.4475503274E+02 0.2401949582E+00 0.2045457109E+02 0.4648114679E+00 0.1017954476E+02 0.3434092326E+00 0.5227827975E+01 0.5389056980E-01 Te D 0.3948423806E+02 -0.4346377641E-02 0.1282822489E+02 0.4891225526E-02 0.5529031254E+01 0.1634802602E+00 0.2753105354E+01 0.4807480840E+00 0.1484292265E+01 0.3906920727E+00 0.8213634116E+00 0.5786627339E-01 #BASIS SET: (30s,24p,12d) -> [5s,4p,2d] I S 0.6259079067E+05 0.9163596281E-02 0.1147595295E+05 0.4936149294E-01 0.3210558084E+04 0.1685383049E+00 0.1102913353E+04 0.3705627997E+00 0.4282935294E+03 0.4164915298E+00 0.1763949273E+03 0.1303340841E+00 I SP 0.5534210884E+04 -0.1325278809E-01 0.3759696623E-02 0.1095364763E+04 -0.4699171014E-01 0.3767936984E-01 0.3404385520E+03 -0.3378537151E-01 0.1738967435E+00 0.1309789819E+03 0.2502417861E+00 0.4180364347E+00 0.5688426110E+02 0.5951172526E+00 0.4258595477E+00 0.2607421884E+02 0.2407061763E+00 0.1017082955E+00 I SP 0.4164637844E+03 -0.9737395526E-02 -0.8104943356E-02 0.1199203666E+03 -0.7265876782E-01 -0.1715478915E-01 0.4716768263E+02 -0.1716155198E+00 0.7369785762E-01 0.2155723409E+02 0.1289776243E+00 0.3965149986E+00 0.1072830266E+02 0.7288614510E+00 0.4978084880E+00 0.5509649210E+01 0.3013317422E+00 0.1174825823E+00 I SP 0.4294551332E+02 0.3713770150E-02 -0.6877310609E-02 0.1395277533E+02 -0.5212196567E-01 -0.5085106480E-01 0.6013718309E+01 -0.3077625125E+00 -0.4206448162E-01 0.2994448632E+01 -0.6451244293E-01 0.3652395431E+00 0.1614408594E+01 0.8980784432E+00 0.5915908715E+00 0.8933659369E+00 0.3690956849E+00 0.1344127135E+00 I SP 0.4510259760E+01 0.1267447151E-01 -0.1105673292E-02 0.1614181327E+01 0.3266734788E-02 -0.6243132446E-01 0.7624139582E+00 -0.4307553998E+00 -0.1628476766E+00 0.4072213738E+00 -0.3231998962E+00 0.3210328714E+00 0.2344050748E+00 0.1104322879E+01 0.6964579592E+00 0.1375310129E+00 0.4368498702E+00 0.1493146125E+00 I D 0.4164637844E+03 0.6633434386E-02 0.1199203666E+03 0.5958177963E-01 0.4716768263E+02 0.2401949582E+00 0.2155723409E+02 0.4648114679E+00 0.1072830266E+02 0.3434092326E+00 0.5509649210E+01 0.5389056980E-01 I D 0.4294551332E+02 -0.4346377641E-02 0.1395277533E+02 0.4891225526E-02 0.6013718309E+01 0.1634802602E+00 0.2994448632E+01 0.4807480840E+00 0.1614408594E+01 0.3906920727E+00 0.8933659369E+00 0.5786627339E-01 #BASIS SET: (30s,24p,12d) -> [5s,4p,2d] Xe S 0.6496990389E+05 0.9163596281E-02 0.1191216076E+05 0.4936149294E-01 0.3332593308E+04 0.1685383049E+00 0.1144835746E+04 0.3705627997E+00 0.4445732215E+03 0.4164915298E+00 0.1830998035E+03 0.1303340841E+00 Xe SP 0.5756136442E+04 -0.1325278809E-01 0.3759696623E-02 0.1139289623E+04 -0.4699171014E-01 0.3767936984E-01 0.3540903657E+03 -0.3378537151E-01 0.1738967435E+00 0.1362313267E+03 0.2502417861E+00 0.4180364347E+00 0.5916535802E+02 0.5951172526E+00 0.4258595477E+00 0.2711981246E+02 0.2407061763E+00 0.1017082955E+00 Xe SP 0.4376336798E+03 -0.9737395526E-02 -0.8104943356E-02 0.1260162187E+03 -0.7265876782E-01 -0.1715478915E-01 0.4956533386E+02 -0.1716155198E+00 0.7369785762E-01 0.2265304219E+02 0.1289776243E+00 0.3965149986E+00 0.1127364910E+02 0.7288614510E+00 0.4978084880E+00 0.5789718454E+01 0.3013317422E+00 0.1174825823E+00 Xe SP 0.4655219374E+02 0.3713770150E-02 -0.6877310609E-02 0.1512456716E+02 -0.5212196567E-01 -0.5085106480E-01 0.6518766647E+01 -0.3077625125E+00 -0.4206448162E-01 0.3245930531E+01 -0.6451244293E-01 0.3652395431E+00 0.1749990996E+01 0.8980784432E+00 0.5915908715E+00 0.9683932259E+00 0.3690956849E+00 0.1344127135E+00 Xe SP 0.5086711066E+01 0.1267447151E-01 -0.1105673292E-02 0.1820488056E+01 0.3266734788E-02 -0.6243132446E-01 0.8598572421E+00 -0.4307553998E+00 -0.1628476766E+00 0.4592678867E+00 -0.3231998962E+00 0.3210328714E+00 0.2643641279E+00 0.1104322879E+01 0.6964579592E+00 0.1551086994E+00 0.4368498702E+00 0.1493146125E+00 Xe D 0.4376336798E+03 0.6633434386E-02 0.1260162187E+03 0.5958177963E-01 0.4956533386E+02 0.2401949582E+00 0.2265304219E+02 0.4648114679E+00 0.1127364910E+02 0.3434092326E+00 0.5789718454E+01 0.5389056980E-01 Xe D 0.4655219374E+02 -0.4346377641E-02 0.1512456716E+02 0.4891225526E-02 0.6518766647E+01 0.1634802602E+00 0.3245930531E+01 0.4807480840E+00 0.1749990996E+01 0.3906920727E+00 0.9683932259E+00 0.5786627339E-01 END