%BASIS "NASA Ames ANO" SPHERICAL basis:( %J. ALMLOF AND P.R. TAYLOR, J. CHEM. PHYS. 86, 4070 (1987). % C.W. BAUSCHLICHER, JR., S.R. LANGHOFF, A. KORMORNICKI, THEOR. CHIM ACTA 77, % 263 (1990) % % % BASIS SET: (8s,6p,4d,3f) -> [4s,3p,2d,1f] hydrogen: "NASA Ames ANO": [ (type: [am = s am = s am = s am = s] {exp coef:0 coef:1 coef:2 coef:3} = { 402.00990000 -0.24200000000E-03 -0.35600000000E-03 -0.41900000000E-03 0.34100000000E-03 60.241960000 -0.17760000000E-02 -0.12740000000E-02 -0.36150000000E-02 -0.19538000000E-01 13.732170000 -0.98970000000E-02 -0.18493000000E-01 -0.17507000000E-01 0.51377000000E-01 3.9045050000 -0.34765000000E-01 -0.17519000000E-01 -0.16368400000 -1.3200520000 1.2827090000 -0.12137600000 -0.45743100000 -1.1775920000 1.7404130000 0.46554400000 -0.22077700000 -0.32228000000 1.8452390000 -0.66840200000 0.18112000000 -0.19018400000 0.57883800000 -0.71178400000 -0.49903500000 0.72791000000E-01 -0.50657000000E-01 0.11814800000 -0.17124900000 0.54297000000 }) (type: [am = p am = p am = p] {exp coef:0 coef:1 coef:2} = { 9.8800000000 0.30850000000E-02 -0.17351000000E-01 0.37360000000E-02 3.9500000000 0.29690000000E-02 0.21253000000E-01 -0.27421800000 1.5800000000 0.83876000000E-01 -0.55281600000 -0.77441900000 0.63000000000 0.32513300000 -0.15289900000 1.3699310000 0.25000000000 0.18960300000 0.52484600000 -0.73568300000 0.10000000000 0.17708000000E-01 0.14111000000E-01 -0.22704000000E-01 }) (type: [(am = d puream = 1) (am = d puream = 1)] {exp coef:0 coef:1} = { 4.0000000000 0.12650000000E-02 -0.33799000000E-01 1.6000000000 -0.15991500000 -0.65922900000 0.64000000000 -0.38220800000 0.21574500000 0.26000000000 -0.10048700000 0.32138400000 }) (type: [(am = f puream = 1)] {exp coef:0} = { 2.5000000000 -0.40897000000E-01 1.0000000000 -0.26157900000 0.40000000000 -0.10400000000 }) ] % % BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g] boron: "NASA Ames ANO": [ (type: [am = s am = s am = s am = s am = s] {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { 46535.630000 0.38000000000E-04 0.70000000000E-05 -0.10000000000E-04 -0.16000000000E-04 -0.28000000000E-04 6970.7830000 0.29900000000E-03 0.58000000000E-04 -0.78000000000E-04 -0.85000000000E-04 -0.13300000000E-03 1586.4320000 0.15680000000E-02 0.30400000000E-03 -0.42500000000E-03 -0.73300000000E-03 -0.13340000000E-02 449.31040000 0.65620000000E-02 0.12650000000E-02 -0.16870000000E-02 -0.15000000000E-02 -0.21150000000E-02 146.56170000 0.23191000000E-01 0.45710000000E-02 -0.64940000000E-02 -0.12664000000E-01 -0.24103000000E-01 52.883870000 0.69777000000E-01 0.13873000000E-01 -0.18372000000E-01 -0.11885000000E-01 -0.17269000000E-01 20.558250000 0.17161700000 0.36846000000E-01 -0.54677000000E-01 -0.13098100000 -0.28177300000 8.4346280000 0.31997400000 0.75570000000E-01 -0.98844000000E-01 -0.91100000000E-03 0.91928000000E-01 3.6075170000 0.37577700000 0.13118000000 -0.22162700000 -0.74356600000 -1.6619490000 1.5673140000 0.18254400000 0.10406600000 -0.10873300000 0.88054600000 3.7482510000 0.45938700000 0.78890000000E-02 -0.29487500000 1.3673000000 1.5945060000 -4.3671240000 0.18377700000 -0.93260000000E-02 -0.59519400000 -0.16053600000 -3.3625760000 3.7211240000 0.72352000000E-01 -0.23760000000E-02 -0.25246800000 -1.0104560000 1.9998600000 -1.4579420000 }) (type: [am = p am = p am = p am = p] {exp coef:0 coef:1 coef:2 coef:3} = { 69.070830000 0.78800000000E-03 -0.67800000000E-03 -0.21280000000E-02 0.42950000000E-02 16.316310000 0.60540000000E-02 -0.46420000000E-02 -0.21376000000E-01 0.45542000000E-01 5.1155360000 0.26815000000E-01 -0.19109000000E-01 -0.85740000000E-01 0.22715500000 1.8218350000 0.87676000000E-01 -0.23670000000E-01 -0.44249100000 1.2038240000 0.71345200000 0.22991500000 -0.44890100000 -0.79286000000 -1.7811720000 0.29212300000 0.39282500000 -0.55559400000 1.2734220000 0.55518100000 0.12114500000 0.35918700000 0.67567200000 0.68690000000E-01 0.83950400000 0.49631000000E-01 0.12670600000 0.48983200000 -0.64352000000 -0.86633200000 }) (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)] {exp coef:0 coef:1 coef:2} = { 4.9400000000 0.49470000000E-02 0.12420000000E-02 -0.33289000000E-01 1.9800000000 0.21163000000E-01 0.29549000000E-01 0.49718400000 0.79000000000 0.22843200000 -0.85244100000 0.70124500000 0.32000000000 0.55400200000 -0.56274000000E-01 -1.5635310000 0.13000000000 0.33584900000 0.79235400000 0.93848300000 0.50000000000E-01 0.31559000000E-01 0.52314000000E-01 0.13431600000 }) (type: [(am = f puream = 1) (am = f puream = 1)] {exp coef:0 coef:1} = { 2.3700000000 -0.63300000000E-03 0.23422000000E-01 0.95000000000 0.26852200000 -0.97601100000 0.38000000000 0.65698800000 0.30281200000 0.15000000000 0.23617400000 0.58595300000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 1.1400000000 0.22612000000E-01 0.46000000000 0.61839000000E-01 }) ] % % BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g] carbon: "NASA Ames ANO": [ (type: [am = s am = s am = s am = s am = s] {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { 50557.500000 -0.55000000000E-04 0.12000000000E-04 0.15000000000E-04 -0.21000000000E-04 0.27000000000E-04 7524.7860000 -0.43400000000E-03 0.93000000000E-04 0.11300000000E-03 -0.15000000000E-03 0.24300000000E-03 1694.3280000 -0.23160000000E-02 0.49900000000E-03 0.61900000000E-03 -0.92700000000E-03 0.10600000000E-02 472.82280000 -0.98720000000E-02 0.21300000000E-02 0.25730000000E-02 -0.32930000000E-02 0.60840000000E-02 151.71080000 -0.35217000000E-01 0.77300000000E-02 0.97100000000E-02 -0.15280000000E-01 0.15497000000E-01 53.918750000 -0.10418400000 0.23564000000E-01 0.28622000000E-01 -0.36183000000E-01 0.84167000000E-01 20.659310000 -0.24125500000 0.59522000000E-01 0.78407000000E-01 -0.14152900000 0.12958300000 8.3839760000 -0.38392900000 0.11433600000 0.14086800000 -0.15833700000 0.53521500000 3.5770150000 -0.30821900000 0.15228100000 0.25720400000 -0.61987800000 0.14046600000 1.5471180000 -0.68528000000E-01 0.15144000000E-01 -0.14594500000 1.6292380000 -3.3835810000 0.61301300000 -0.83000000000E-03 -0.37717100000 -1.2807690000 0.36862100000 5.4782250000 0.24606800000 -0.78200000000E-03 -0.54469600000 0.30509600000 -2.6581790000 -4.6005230000 0.99087000000E-01 0.40000000000E-04 -0.21188600000 0.93955700000 1.8389120000 1.8602740000 }) (type: [am = p am = p am = p am = p] {exp coef:0 coef:1 coef:2 coef:3} = { 83.333160000 0.12590000000E-02 -0.14280000000E-02 -0.33970000000E-02 -0.82530000000E-02 19.557610000 0.96840000000E-02 -0.12110000000E-01 -0.34897000000E-01 -0.46337000000E-01 6.0803650000 0.42925000000E-01 -0.43938000000E-01 -0.14580100000 -0.45331800000 2.1793170000 0.13507500000 -0.17155500000 -0.71410500000 -0.84580600000 0.86515000000 0.28777400000 -0.60719500000 -0.14471900000 2.2349810000 0.36194400000 0.38193100000 -0.11243600000 1.3380700000 -1.7564070000 0.15474000000 0.29570000000 0.70597500000 -0.51561300000 0.10448100000 0.65429000000E-01 0.89427000000E-01 0.29463300000 -0.42474900000 0.58952100000 }) (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)] {exp coef:0 coef:1 coef:2} = { 7.1200000000 0.60430000000E-02 -0.22570000000E-02 0.42283000000E-01 2.8500000000 0.32352000000E-01 -0.81426000000E-01 -0.65112900000 1.1400000000 0.26805600000 -0.88160000000 -0.35679300000 0.46000000000 0.56291500000 0.18986600000 1.3926760000 0.18000000000 0.29475700000 0.67739500000 -1.0421080000 0.70000000000E-01 0.18572000000E-01 0.16009000000E-01 -0.47233000000E-01 }) (type: [(am = f puream = 1) (am = f puream = 1)] {exp coef:0 coef:1} = { 3.4200000000 -0.86750000000E-02 0.57745000000E-01 1.3700000000 -0.31771300000 0.97136300000 0.55000000000 -0.64819200000 -0.45592400000 0.22000000000 -0.18722500000 -0.49493700000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 1.6400000000 0.22077400000 0.66000000000 0.50204900000 }) ] % % BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g] nitrogen: "NASA Ames ANO": [ (type: [am = s am = s am = s am = s am = s] {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { 74761.720000 -0.50000000000E-04 -0.11000000000E-04 -0.13000000000E-04 -0.19000000000E-04 -0.26000000000E-04 11123.650000 -0.39400000000E-03 -0.87000000000E-04 -0.10000000000E-03 -0.13800000000E-03 -0.21700000000E-03 2512.6060000 -0.20880000000E-02 -0.46300000000E-03 -0.54200000000E-03 -0.84900000000E-03 -0.10290000000E-02 703.77730000 -0.89060000000E-02 -0.19780000000E-02 -0.22610000000E-02 -0.29900000000E-02 -0.52720000000E-02 225.47880000 -0.32081000000E-01 -0.72440000000E-02 -0.85640000000E-02 -0.14082000000E-01 -0.15631000000E-01 79.615810000 -0.97424000000E-01 -0.22646000000E-01 -0.26012000000E-01 -0.33710000000E-01 -0.71675000000E-01 30.237280000 -0.23172900000 -0.58698000000E-01 -0.72207000000E-01 -0.13540300000 -0.14517300000 12.263620000 -0.37753900000 -0.11457500000 -0.13380200000 -0.15848300000 -0.48280000000 5.2650860000 -0.31862300000 -0.15447200000 -0.23941500000 -0.62053400000 -0.42928300000 2.3334710000 -0.82577000000E-01 -0.23766000000E-01 0.77478000000E-01 1.3741870000 3.6558940000 0.90185600000 -0.31020000000E-02 0.36533400000 1.1802320000 0.84572500000 -5.3943790000 0.35833600000 -0.53700000000E-03 0.53915000000 -0.50772000000E-01 -2.8973320000 4.3124510000 0.14109300000 -0.84000000000E-04 0.23613100000 -1.0739830000 1.8265160000 -1.6751360000 }) (type: [am = p am = p am = p am = p] {exp coef:0 coef:1 coef:2 coef:3} = { 126.66660000 -0.11590000000E-02 -0.15400000000E-02 0.29310000000E-02 -0.63820000000E-02 29.837390000 -0.90760000000E-02 -0.12756000000E-01 0.32059000000E-01 -0.44263000000E-01 9.3940380000 -0.41062000000E-01 -0.54403000000E-01 0.13014900000 -0.36049700000 3.4051040000 -0.13086400000 -0.19607800000 0.65773000000 -0.96607400000 1.3500000000 -0.28115600000 -0.57219500000 0.22998800000 2.1275980000 0.55769600000 -0.37948700000 -0.12109800000 -1.3505170000 -1.3666180000 0.23244900000 -0.30847500000 0.68009600000 0.46706600000 -0.25924500000 0.94264000000E-01 -0.10012300000 0.30247400000 0.47162700000 0.72517000000 }) (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)] {exp coef:0 coef:1 coef:2} = { 9.8800000000 -0.75870000000E-02 -0.70770000000E-02 0.40590000000E-01 3.9500000000 -0.39504000000E-01 -0.13755200000 -0.69786300000 1.5800000000 -0.29541600000 -0.83975800000 -0.23169800000 0.63000000000 -0.55719100000 0.23227900000 1.3280670000 0.25000000000 -0.26728200000 0.64547300000 -1.0562720000 0.10000000000 -0.22635000000E-01 0.26255000000E-01 -0.45379000000E-01 }) (type: [(am = f puream = 1) (am = f puream = 1)] {exp coef:0 coef:1} = { 4.7400000000 -0.15633000000E-01 0.98551000000E-01 1.9000000000 -0.33143900000 0.94062500000 0.76000000000 -0.64192200000 -0.47768200000 0.30000000000 -0.17914900000 -0.47895200000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 2.2800000000 -0.10169000000 0.91000000000 -0.21828900000 }) ] % % BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g] oxygen: "NASA Ames ANO": [ (type: [am = s am = s am = s am = s am = s] {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { 105374.90000 -0.46000000000E-04 0.10000000000E-04 -0.13000000000E-04 -0.18000000000E-04 0.23000000000E-04 15679.240000 -0.36100000000E-03 0.82000000000E-04 -0.99000000000E-04 -0.12400000000E-03 0.20100000000E-03 3534.5450000 -0.19200000000E-02 0.43800000000E-03 -0.53800000000E-03 -0.81900000000E-03 0.89200000000E-03 987.36520000 -0.82060000000E-02 0.18750000000E-02 -0.22490000000E-02 -0.26510000000E-02 0.50000000000E-02 315.97880000 -0.29725000000E-01 0.69090000000E-02 -0.85730000000E-02 -0.13902000000E-01 0.13048000000E-01 111.65430000 -0.90452000000E-01 0.21587000000E-01 -0.26009000000E-01 -0.28890000000E-01 0.68218000000E-01 42.699450000 -0.21740200000 0.56473000000E-01 -0.72913000000E-01 -0.13714200000 0.11491800000 17.395600000 -0.36872000000 0.11324500000 -0.13988400000 -0.12832300000 0.51268900000 7.4383090000 -0.33727700000 0.16070000000 -0.26057800000 -0.71729400000 0.42328500000 3.2228620000 -0.96808000000E-01 0.33672000000E-01 0.72981000000E-01 1.5531810000 -3.6436580000 1.2538770000 -0.26690000000E-02 -0.36024400000 1.2852860000 0.57374800000 5.3817360000 0.49515500000 -0.11980000000E-02 -0.54706600000 -0.22464800000 -2.6840910000 -4.3016680000 0.19166500000 0.31000000000E-04 -0.23853200000 -0.96682000000 1.7723270000 1.6892850000 }) (type: [am = p am = p am = p am = p] {exp coef:0 coef:1 coef:2 coef:3} = { 200.00000000 -0.89700000000E-03 -0.11700000000E-02 0.18200000000E-02 0.25650000000E-02 46.533370000 -0.74020000000E-02 -0.95360000000E-02 0.20119000000E-01 0.37524000000E-01 14.621810000 -0.35085000000E-01 -0.46191000000E-01 0.82495000000E-01 0.14745200000 5.3130660000 -0.11579300000 -0.15475500000 0.42203100000 0.97699900000 2.1025250000 -0.25886700000 -0.48773900000 0.58729200000 -0.98914800000 0.85022300000 -0.37216800000 -0.27396000000 -1.0804780000 -0.58555700000 0.33759700000 -0.33629500000 0.56642400000 -0.22909600000 1.6715550000 0.12889200000 -0.14007700000 0.46061900000 0.82329300000 -1.1422140000 }) (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)] {exp coef:0 coef:1 coef:2} = { 12.650000000 0.91190000000E-02 -0.69980000000E-02 0.18186000000E-01 5.0600000000 0.49617000000E-01 -0.17998000000 -0.70394700000 2.0200000000 0.33049500000 -0.79608900000 -0.16631000000 0.81000000000 0.55185700000 0.27949700000 1.2517420000 0.32000000000 0.23094800000 0.62414300000 -0.99826700000 0.13000000000 0.19148000000E-01 0.44391000000E-01 -0.94737000000E-01 }) (type: [(am = f puream = 1) (am = f puream = 1)] {exp coef:0 coef:1} = { 6.0700000000 0.24630000000E-01 0.13417000000 2.4300000000 0.33057600000 0.84333300000 0.97000000000 0.60260000000 -0.31593300000 0.39000000000 0.23056800000 -0.58066600000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 3.1100000000 0.20688500000 1.2400000000 0.51425300000 }) ] % % BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g] fluorine: "NASA Ames ANO": [ (type: [am = s am = s am = s am = s am = s] {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { 103109.50000 -0.64000000000E-04 0.15000000000E-04 0.19000000000E-04 0.26000000000E-04 -0.29000000000E-04 15281.010000 -0.50300000000E-03 0.11700000000E-03 0.14500000000E-03 0.18000000000E-03 -0.29200000000E-03 3441.5390000 -0.26680000000E-02 0.62100000000E-03 0.78300000000E-03 0.11590000000E-02 -0.10440000000E-02 967.09480000 -0.11200000000E-01 0.26160000000E-02 0.32360000000E-02 0.37830000000E-02 -0.75170000000E-02 314.03530000 -0.39097000000E-01 0.93060000000E-02 0.11877000000E-01 0.18861000000E-01 -0.12561000000E-01 113.44230000 -0.11226300000 0.27721000000E-01 0.34513000000E-01 0.37668000000E-01 -0.10250600000 44.644730000 -0.24719900000 0.67355000000E-01 0.90200000000E-01 0.17122600000 -0.58826000000E-01 18.942870000 -0.36800400000 0.12246600000 0.15736700000 0.12490100000 -0.83565900000 8.5327430000 -0.29086300000 0.15129100000 0.27158400000 0.82897200000 0.38381600000 3.9194010000 -0.78165000000E-01 0.79700000000E-02 -0.17565000000 -2.0976590000 2.9238160000 1.5681570000 -0.35660000000E-02 -0.37155100000 -1.3303090000 0.18951600000 -5.1744710000 0.62329000000 -0.82800000000E-03 -0.54143100000 0.42956200000 2.1772700000 4.4094980000 0.24086100000 -0.99000000000E-04 -0.22418200000 0.84766700000 -1.6405690000 -1.8093660000 }) (type: [am = p am = p am = p am = p] {exp coef:0 coef:1 coef:2 coef:3} = { 245.33030000 0.99100000000E-03 -0.13410000000E-02 0.19510000000E-02 -0.35290000000E-02 56.919010000 0.83130000000E-02 -0.11638000000E-01 0.23985000000E-01 -0.36530000000E-01 17.604570000 0.40851000000E-01 -0.56092000000E-01 0.94178000000E-01 -0.21464900000 6.2749950000 0.13569100000 -0.20863000000 0.54687700000 -1.0303070000 2.4470300000 0.28104800000 -0.53262900000 0.39519000000 1.5924550000 0.99506000000 0.36052900000 -0.13704600000 -1.2697250000 -0.32108700000 0.40397300000 0.31431000000 0.59899600000 0.17996600000 -1.0965660000 0.15481000000 0.13271700000 0.37547100000 0.64457700000 1.0024140000 }) (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)] {exp coef:0 coef:1 coef:2} = { 16.010000000 -0.10626000000E-01 -0.91840000000E-02 0.95370000000E-02 6.4000000000 -0.55418000000E-01 -0.21105600000 -0.74895300000 2.5600000000 -0.35409800000 -0.77665300000 -0.50937000000E-01 1.0200000000 -0.54532900000 0.32750200000 1.1930080000 0.41000000000 -0.20701900000 0.59585300000 -1.0266900000 0.16000000000 -0.20040000000E-01 0.47261000000E-01 -0.73271000000E-01 }) (type: [(am = f puream = 1) (am = f puream = 1)] {exp coef:0 coef:1} = { 7.6800000000 0.27929000000E-01 0.17026700000 3.0700000000 0.35229600000 0.82259700000 1.2300000000 0.60197900000 -0.36536000000 0.49000000000 0.20475600000 -0.55648300000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 3.6900000000 0.24225000000 1.4800000000 0.48480000000 }) ] % % BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g] neon: "NASA Ames ANO": [ (type: [am = s am = s am = s am = s am = s] {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { 166165.10000 -0.47000000000E-04 0.11000000000E-04 0.14000000000E-04 0.20000000000E-04 0.20000000000E-04 23107.520000 -0.40100000000E-03 0.94000000000E-04 0.11800000000E-03 0.14500000000E-03 0.23300000000E-03 5060.1540000 -0.21930000000E-02 0.51800000000E-03 0.66400000000E-03 0.98600000000E-03 0.77300000000E-03 1384.6120000 -0.95880000000E-02 0.22660000000E-02 0.28190000000E-02 0.32570000000E-02 0.63680000000E-02 436.51260000 -0.35074000000E-01 0.84540000000E-02 0.10980000000E-01 0.17425000000E-01 0.10250000000E-01 153.47150000 -0.10465200000 0.26049000000E-01 0.32457000000E-01 0.34769000000E-01 0.92651000000E-01 59.389090000 -0.23771500000 0.65296000000E-01 0.89380000000E-01 0.16861800000 0.46375000000E-01 24.861970000 -0.36960300000 0.12233800000 0.15565000000 0.12107900000 0.80935400000 11.015700000 -0.30617600000 0.15817700000 0.29400900000 0.89268700000 -0.35181300000 4.9651750000 -0.84181000000E-01 0.68050000000E-02 -0.20560400000 -2.2664330000 -2.7602720000 1.9365030000 -0.37260000000E-02 -0.38402600000 -1.3584610000 0.50349900000 4.9964210000 0.76572800000 -0.90600000000E-03 -0.53645300000 0.53844400000 1.9000480000 -4.4339140000 0.29553800000 -0.97000000000E-04 -0.21530100000 0.77958700000 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0.60000000000E-05 0.80000000000E-05 -0.15000000000E-04 0.22000000000E-04 35935.190000 -0.20200000000E-03 0.53000000000E-04 0.12000000000E-04 0.16000000000E-04 -0.11000000000E-04 0.23000000000E-04 15517.500000 -0.65500000000E-03 0.17100000000E-03 0.40000000000E-04 0.54000000000E-04 -0.10200000000E-03 0.14500000000E-03 6700.7540000 -0.17980000000E-02 0.46800000000E-03 0.10800000000E-03 0.14300000000E-03 -0.12800000000E-03 0.23400000000E-03 2893.5130000 -0.51340000000E-02 0.13420000000E-02 0.31300000000E-03 0.42400000000E-03 -0.75700000000E-03 0.10860000000E-02 1249.4740000 -0.14384000000E-01 0.37890000000E-02 0.87700000000E-03 0.11640000000E-02 -0.11800000000E-02 0.20650000000E-02 539.54680000 -0.39042000000E-01 0.10467000000E-01 0.24460000000E-02 0.33080000000E-02 -0.56330000000E-02 0.81480000000E-02 232.98660000 -0.10022800000 0.27947000000E-01 0.65020000000E-02 0.86610000000E-02 -0.93640000000E-02 0.16495000000E-01 100.60810000 -0.22214900000 0.67613000000E-01 0.15947000000E-01 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0.21013000000E-01 -0.14964200000 0.63000000000 -0.14268600000 0.77827800000 0.25000000000 -0.68598800000 0.22763800000 0.10000000000 -0.31853400000 -0.86412700000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 1.0600000000 -0.84737000000E-01 0.42000000000 -0.23214000000 }) ] % % BASIS SET: (18s,13p,6d,4f,2g) -> [6s,5p,3d,2f,1g] phosphorus: "NASA Ames ANO": [ (type: [am = s am = s am = s am = s am = s am = s] {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = { 1948462.0000 0.60000000000E-05 0.20000000000E-05 0. -0.10000000000E-05 -0.10000000000E-05 -0.10000000000E-05 291808.80000 0.46000000000E-04 0.12000000000E-04 0.30000000000E-05 -0.40000000000E-05 -0.50000000000E-05 -0.90000000000E-05 66414.490000 0.23900000000E-03 0.65000000000E-04 0.18000000000E-04 -0.23000000000E-04 -0.33000000000E-04 -0.63000000000E-04 18812.820000 0.10110000000E-02 0.27400000000E-03 0.76000000000E-04 -0.94000000000E-04 -0.10700000000E-03 -0.18900000000E-03 6137.6770000 0.36670000000E-02 0.10010000000E-02 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4.6000000000 -0.19876000000E-01 0.63540000000E-02 0.18522000000 1.8400000000 -0.17841000000E-01 0.95553000000E-01 -0.37442000000 0.74000000000 -0.32657100000 -1.0098100000 -0.87925500000 0.29000000000 -0.60841800000 0.26989900000 1.8945390000 0.12000000000 -0.17889500000 0.73561500000 -1.4375760000 0.47000000000E-01 -0.10694000000E-01 -0.27012000000E-01 0.11468800000 }) (type: [(am = f puream = 1) (am = f puream = 1)] {exp coef:0 coef:1} = { 2.2100000000 0.22867000000E-01 -0.11528200000 0.88000000000 -0.31525600000 1.0917640000 0.35000000000 -0.69573600000 -0.49025900000 0.14000000000 -0.13644600000 -0.50432300000 }) (type: [(am = g puream = 1)] {exp coef:0} = { 1.0600000000 -0.84737000000E-01 0.42000000000 -0.23214000000 }) ] % % BASIS SET: (21s,16p,10d,6f) -> [7s,6p,4d,2f] titanium: "NASA Ames ANO": [ (type: [am = s am = s am = s am = s am = s am = s] {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = { 5309148.1000 0.40000000000E-05 -0.10000000000E-05 0. 0. -0.11000000000E-04 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0.54159900000 0.56000000000E-01 0.10581900000 0.26537500000 }) ] % % BASIS SET: (20s,15p,10d,6f,4g) -> [7s,6p,4d,3f,2g] iron: "NASA Ames ANO": [ (type: [am = s am = s am = s am = s am = s am = s] {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = { 4316265.3000 0.90000000000E-05 0.30000000000E-05 0.10000000000E-05 0. 0. -0.10000000000E-05 646342.42000 0.67000000000E-04 0.20000000000E-04 0.80000000000E-05 -0.20000000000E-05 -0.40000000000E-05 -0.60000000000E-05 147089.73000 0.35400000000E-03 0.10800000000E-03 0.40000000000E-04 -0.90000000000E-05 -0.19000000000E-04 -0.32000000000E-04 41661.522000 0.14940000000E-02 0.45400000000E-03 0.16700000000E-03 -0.39000000000E-04 -0.82000000000E-04 -0.13800000000E-03 13590.765000 0.54110000000E-02 0.16500000000E-02 0.60800000000E-03 -0.14200000000E-03 -0.28100000000E-03 -0.48300000000E-03 4905.7500000 0.17353000000E-01 0.53420000000E-02 0.19740000000E-02 -0.46000000000E-03 -0.98100000000E-03 -0.16450000000E-02 1912.7458000 0.49540000000E-01 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1) (am = f puream = 1) (am = f puream = 1)] {exp coef:0 coef:1 coef:2} = { 16.997200000 0.13273000000E-01 0.27682000000E-01 -0.43420000000E-01 6.7989000000 0.79455000000E-01 0.18919300000 -0.40868800000 2.7196000000 0.29060300000 0.52249700000 -0.45547200000 1.0878000000 0.46604500000 0.15059900000 0.82529900000 0.43510000000 0.35516300000 -0.52695400000 0.43968000000E-01 0.17410000000 0.12591000000 -0.37350000000 -0.68458600000 }) (type: [(am = g puream = 1) (am = g puream = 1)] {exp coef:0 coef:1} = { 8.1590000000 0.83660000000E-02 0.38731000000E-01 3.2630000000 0.58110000000E-01 0.12781800000 1.3050000000 0.10772000000 0.20599000000E-01 0.52200000000 0.83876000000E-01 -0.15293100000 }) ] % % BASIS SET: (20s,15p,10d,6f) -> [7s,6p,4d,2f] nickel: "NASA Ames ANO": [ (type: [am = s am = s am = s am = s am = s am = s] {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = { 5048010.4000 0.90000000000E-05 -0.30000000000E-05 0.10000000000E-05 0. 0.24000000000E-04 -0.33000000000E-04 755918.10000 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