| [0b990d] | 1 | %BASIS "NASA Ames ANO" SPHERICAL | 
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|  | 2 | basis:( | 
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|  | 3 | %J. ALMLOF AND P.R. TAYLOR, J. CHEM. PHYS. 86, 4070 (1987). | 
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|  | 4 | % C.W. BAUSCHLICHER, JR., S.R. LANGHOFF, A. KORMORNICKI,  THEOR. CHIM ACTA 77, | 
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|  | 5 | % 263 (1990) | 
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|  | 6 | % | 
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|  | 7 | % | 
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|  | 8 | % BASIS SET: (8s,6p,4d,3f) -> [4s,3p,2d,1f] | 
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|  | 9 | hydrogen: "NASA Ames ANO": [ | 
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|  | 10 | (type: [am = s am = s am = s am = s] | 
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|  | 11 | {exp coef:0 coef:1 coef:2 coef:3} = { | 
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|  | 12 | 402.00990000     -0.24200000000E-03 -0.35600000000E-03 -0.41900000000E-03  0.34100000000E-03 | 
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|  | 13 | 60.241960000     -0.17760000000E-02 -0.12740000000E-02 -0.36150000000E-02 -0.19538000000E-01 | 
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|  | 14 | 13.732170000     -0.98970000000E-02 -0.18493000000E-01 -0.17507000000E-01  0.51377000000E-01 | 
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|  | 15 | 3.9045050000     -0.34765000000E-01 -0.17519000000E-01 -0.16368400000      -1.3200520000 | 
|---|
|  | 16 | 1.2827090000     -0.12137600000     -0.45743100000      -1.1775920000       1.7404130000 | 
|---|
|  | 17 | 0.46554400000     -0.22077700000     -0.32228000000       1.8452390000     -0.66840200000 | 
|---|
|  | 18 | 0.18112000000     -0.19018400000      0.57883800000     -0.71178400000     -0.49903500000 | 
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|  | 19 | 0.72791000000E-01 -0.50657000000E-01  0.11814800000     -0.17124900000      0.54297000000 | 
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|  | 20 | }) | 
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|  | 21 | (type: [am = p am = p am = p] | 
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|  | 22 | {exp coef:0 coef:1 coef:2} = { | 
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|  | 23 | 9.8800000000      0.30850000000E-02 -0.17351000000E-01  0.37360000000E-02 | 
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|  | 24 | 3.9500000000      0.29690000000E-02  0.21253000000E-01 -0.27421800000 | 
|---|
|  | 25 | 1.5800000000      0.83876000000E-01 -0.55281600000     -0.77441900000 | 
|---|
|  | 26 | 0.63000000000      0.32513300000     -0.15289900000       1.3699310000 | 
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|  | 27 | 0.25000000000      0.18960300000      0.52484600000     -0.73568300000 | 
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|  | 28 | 0.10000000000      0.17708000000E-01  0.14111000000E-01 -0.22704000000E-01 | 
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|  | 29 | }) | 
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|  | 30 | (type: [(am = d puream = 1) (am = d puream = 1)] | 
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|  | 31 | {exp coef:0 coef:1} = { | 
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|  | 32 | 4.0000000000      0.12650000000E-02 -0.33799000000E-01 | 
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|  | 33 | 1.6000000000     -0.15991500000     -0.65922900000 | 
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|  | 34 | 0.64000000000     -0.38220800000      0.21574500000 | 
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|  | 35 | 0.26000000000     -0.10048700000      0.32138400000 | 
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|  | 36 | }) | 
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|  | 37 | (type: [(am = f puream = 1)] | 
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|  | 38 | {exp coef:0} = { | 
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|  | 39 | 2.5000000000     -0.40897000000E-01 | 
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|  | 40 | 1.0000000000     -0.26157900000 | 
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|  | 41 | 0.40000000000     -0.10400000000 | 
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|  | 42 | }) | 
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|  | 43 | ] | 
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|  | 44 | % | 
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|  | 45 | % BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g] | 
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|  | 46 | boron: "NASA Ames ANO": [ | 
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|  | 47 | (type: [am = s am = s am = s am = s am = s] | 
|---|
|  | 48 | {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { | 
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|  | 49 | 46535.630000      0.38000000000E-04  0.70000000000E-05 -0.10000000000E-04 -0.16000000000E-04 -0.28000000000E-04 | 
|---|
|  | 50 | 6970.7830000      0.29900000000E-03  0.58000000000E-04 -0.78000000000E-04 -0.85000000000E-04 -0.13300000000E-03 | 
|---|
|  | 51 | 1586.4320000      0.15680000000E-02  0.30400000000E-03 -0.42500000000E-03 -0.73300000000E-03 -0.13340000000E-02 | 
|---|
|  | 52 | 449.31040000      0.65620000000E-02  0.12650000000E-02 -0.16870000000E-02 -0.15000000000E-02 -0.21150000000E-02 | 
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|  | 53 | 146.56170000      0.23191000000E-01  0.45710000000E-02 -0.64940000000E-02 -0.12664000000E-01 -0.24103000000E-01 | 
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|  | 54 | 52.883870000      0.69777000000E-01  0.13873000000E-01 -0.18372000000E-01 -0.11885000000E-01 -0.17269000000E-01 | 
|---|
|  | 55 | 20.558250000      0.17161700000      0.36846000000E-01 -0.54677000000E-01 -0.13098100000     -0.28177300000 | 
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|  | 56 | 8.4346280000      0.31997400000      0.75570000000E-01 -0.98844000000E-01 -0.91100000000E-03  0.91928000000E-01 | 
|---|
|  | 57 | 3.6075170000      0.37577700000      0.13118000000     -0.22162700000     -0.74356600000      -1.6619490000 | 
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|  | 58 | 1.5673140000      0.18254400000      0.10406600000     -0.10873300000      0.88054600000       3.7482510000 | 
|---|
|  | 59 | 0.45938700000      0.78890000000E-02 -0.29487500000       1.3673000000       1.5945060000      -4.3671240000 | 
|---|
|  | 60 | 0.18377700000     -0.93260000000E-02 -0.59519400000     -0.16053600000      -3.3625760000       3.7211240000 | 
|---|
|  | 61 | 0.72352000000E-01 -0.23760000000E-02 -0.25246800000      -1.0104560000       1.9998600000      -1.4579420000 | 
|---|
|  | 62 | }) | 
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|  | 63 | (type: [am = p am = p am = p am = p] | 
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|  | 64 | {exp coef:0 coef:1 coef:2 coef:3} = { | 
|---|
|  | 65 | 69.070830000      0.78800000000E-03 -0.67800000000E-03 -0.21280000000E-02  0.42950000000E-02 | 
|---|
|  | 66 | 16.316310000      0.60540000000E-02 -0.46420000000E-02 -0.21376000000E-01  0.45542000000E-01 | 
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|  | 67 | 5.1155360000      0.26815000000E-01 -0.19109000000E-01 -0.85740000000E-01  0.22715500000 | 
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|  | 68 | 1.8218350000      0.87676000000E-01 -0.23670000000E-01 -0.44249100000       1.2038240000 | 
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|  | 69 | 0.71345200000      0.22991500000     -0.44890100000     -0.79286000000      -1.7811720000 | 
|---|
|  | 70 | 0.29212300000      0.39282500000     -0.55559400000       1.2734220000      0.55518100000 | 
|---|
|  | 71 | 0.12114500000      0.35918700000      0.67567200000      0.68690000000E-01  0.83950400000 | 
|---|
|  | 72 | 0.49631000000E-01  0.12670600000      0.48983200000     -0.64352000000     -0.86633200000 | 
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|  | 73 | }) | 
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|  | 74 | (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)] | 
|---|
|  | 75 | {exp coef:0 coef:1 coef:2} = { | 
|---|
|  | 76 | 4.9400000000      0.49470000000E-02  0.12420000000E-02 -0.33289000000E-01 | 
|---|
|  | 77 | 1.9800000000      0.21163000000E-01  0.29549000000E-01  0.49718400000 | 
|---|
|  | 78 | 0.79000000000      0.22843200000     -0.85244100000      0.70124500000 | 
|---|
|  | 79 | 0.32000000000      0.55400200000     -0.56274000000E-01  -1.5635310000 | 
|---|
|  | 80 | 0.13000000000      0.33584900000      0.79235400000      0.93848300000 | 
|---|
|  | 81 | 0.50000000000E-01  0.31559000000E-01  0.52314000000E-01  0.13431600000 | 
|---|
|  | 82 | }) | 
|---|
|  | 83 | (type: [(am = f puream = 1) (am = f puream = 1)] | 
|---|
|  | 84 | {exp coef:0 coef:1} = { | 
|---|
|  | 85 | 2.3700000000     -0.63300000000E-03  0.23422000000E-01 | 
|---|
|  | 86 | 0.95000000000      0.26852200000     -0.97601100000 | 
|---|
|  | 87 | 0.38000000000      0.65698800000      0.30281200000 | 
|---|
|  | 88 | 0.15000000000      0.23617400000      0.58595300000 | 
|---|
|  | 89 | }) | 
|---|
|  | 90 | (type: [(am = g puream = 1)] | 
|---|
|  | 91 | {exp coef:0} = { | 
|---|
|  | 92 | 1.1400000000      0.22612000000E-01 | 
|---|
|  | 93 | 0.46000000000      0.61839000000E-01 | 
|---|
|  | 94 | }) | 
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|  | 95 | ] | 
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|  | 96 | % | 
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|  | 97 | % BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g] | 
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|  | 98 | carbon: "NASA Ames ANO": [ | 
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|  | 99 | (type: [am = s am = s am = s am = s am = s] | 
|---|
|  | 100 | {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { | 
|---|
|  | 101 | 50557.500000     -0.55000000000E-04  0.12000000000E-04  0.15000000000E-04 -0.21000000000E-04  0.27000000000E-04 | 
|---|
|  | 102 | 7524.7860000     -0.43400000000E-03  0.93000000000E-04  0.11300000000E-03 -0.15000000000E-03  0.24300000000E-03 | 
|---|
|  | 103 | 1694.3280000     -0.23160000000E-02  0.49900000000E-03  0.61900000000E-03 -0.92700000000E-03  0.10600000000E-02 | 
|---|
|  | 104 | 472.82280000     -0.98720000000E-02  0.21300000000E-02  0.25730000000E-02 -0.32930000000E-02  0.60840000000E-02 | 
|---|
|  | 105 | 151.71080000     -0.35217000000E-01  0.77300000000E-02  0.97100000000E-02 -0.15280000000E-01  0.15497000000E-01 | 
|---|
|  | 106 | 53.918750000     -0.10418400000      0.23564000000E-01  0.28622000000E-01 -0.36183000000E-01  0.84167000000E-01 | 
|---|
|  | 107 | 20.659310000     -0.24125500000      0.59522000000E-01  0.78407000000E-01 -0.14152900000      0.12958300000 | 
|---|
|  | 108 | 8.3839760000     -0.38392900000      0.11433600000      0.14086800000     -0.15833700000      0.53521500000 | 
|---|
|  | 109 | 3.5770150000     -0.30821900000      0.15228100000      0.25720400000     -0.61987800000      0.14046600000 | 
|---|
|  | 110 | 1.5471180000     -0.68528000000E-01  0.15144000000E-01 -0.14594500000       1.6292380000      -3.3835810000 | 
|---|
|  | 111 | 0.61301300000     -0.83000000000E-03 -0.37717100000      -1.2807690000      0.36862100000       5.4782250000 | 
|---|
|  | 112 | 0.24606800000     -0.78200000000E-03 -0.54469600000      0.30509600000      -2.6581790000      -4.6005230000 | 
|---|
|  | 113 | 0.99087000000E-01  0.40000000000E-04 -0.21188600000      0.93955700000       1.8389120000       1.8602740000 | 
|---|
|  | 114 | }) | 
|---|
|  | 115 | (type: [am = p am = p am = p am = p] | 
|---|
|  | 116 | {exp coef:0 coef:1 coef:2 coef:3} = { | 
|---|
|  | 117 | 83.333160000      0.12590000000E-02 -0.14280000000E-02 -0.33970000000E-02 -0.82530000000E-02 | 
|---|
|  | 118 | 19.557610000      0.96840000000E-02 -0.12110000000E-01 -0.34897000000E-01 -0.46337000000E-01 | 
|---|
|  | 119 | 6.0803650000      0.42925000000E-01 -0.43938000000E-01 -0.14580100000     -0.45331800000 | 
|---|
|  | 120 | 2.1793170000      0.13507500000     -0.17155500000     -0.71410500000     -0.84580600000 | 
|---|
|  | 121 | 0.86515000000      0.28777400000     -0.60719500000     -0.14471900000       2.2349810000 | 
|---|
|  | 122 | 0.36194400000      0.38193100000     -0.11243600000       1.3380700000      -1.7564070000 | 
|---|
|  | 123 | 0.15474000000      0.29570000000      0.70597500000     -0.51561300000      0.10448100000 | 
|---|
|  | 124 | 0.65429000000E-01  0.89427000000E-01  0.29463300000     -0.42474900000      0.58952100000 | 
|---|
|  | 125 | }) | 
|---|
|  | 126 | (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)] | 
|---|
|  | 127 | {exp coef:0 coef:1 coef:2} = { | 
|---|
|  | 128 | 7.1200000000      0.60430000000E-02 -0.22570000000E-02  0.42283000000E-01 | 
|---|
|  | 129 | 2.8500000000      0.32352000000E-01 -0.81426000000E-01 -0.65112900000 | 
|---|
|  | 130 | 1.1400000000      0.26805600000     -0.88160000000     -0.35679300000 | 
|---|
|  | 131 | 0.46000000000      0.56291500000      0.18986600000       1.3926760000 | 
|---|
|  | 132 | 0.18000000000      0.29475700000      0.67739500000      -1.0421080000 | 
|---|
|  | 133 | 0.70000000000E-01  0.18572000000E-01  0.16009000000E-01 -0.47233000000E-01 | 
|---|
|  | 134 | }) | 
|---|
|  | 135 | (type: [(am = f puream = 1) (am = f puream = 1)] | 
|---|
|  | 136 | {exp coef:0 coef:1} = { | 
|---|
|  | 137 | 3.4200000000     -0.86750000000E-02  0.57745000000E-01 | 
|---|
|  | 138 | 1.3700000000     -0.31771300000      0.97136300000 | 
|---|
|  | 139 | 0.55000000000     -0.64819200000     -0.45592400000 | 
|---|
|  | 140 | 0.22000000000     -0.18722500000     -0.49493700000 | 
|---|
|  | 141 | }) | 
|---|
|  | 142 | (type: [(am = g puream = 1)] | 
|---|
|  | 143 | {exp coef:0} = { | 
|---|
|  | 144 | 1.6400000000      0.22077400000 | 
|---|
|  | 145 | 0.66000000000      0.50204900000 | 
|---|
|  | 146 | }) | 
|---|
|  | 147 | ] | 
|---|
|  | 148 | % | 
|---|
|  | 149 | % BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g] | 
|---|
|  | 150 | nitrogen: "NASA Ames ANO": [ | 
|---|
|  | 151 | (type: [am = s am = s am = s am = s am = s] | 
|---|
|  | 152 | {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { | 
|---|
|  | 153 | 74761.720000     -0.50000000000E-04 -0.11000000000E-04 -0.13000000000E-04 -0.19000000000E-04 -0.26000000000E-04 | 
|---|
|  | 154 | 11123.650000     -0.39400000000E-03 -0.87000000000E-04 -0.10000000000E-03 -0.13800000000E-03 -0.21700000000E-03 | 
|---|
|  | 155 | 2512.6060000     -0.20880000000E-02 -0.46300000000E-03 -0.54200000000E-03 -0.84900000000E-03 -0.10290000000E-02 | 
|---|
|  | 156 | 703.77730000     -0.89060000000E-02 -0.19780000000E-02 -0.22610000000E-02 -0.29900000000E-02 -0.52720000000E-02 | 
|---|
|  | 157 | 225.47880000     -0.32081000000E-01 -0.72440000000E-02 -0.85640000000E-02 -0.14082000000E-01 -0.15631000000E-01 | 
|---|
|  | 158 | 79.615810000     -0.97424000000E-01 -0.22646000000E-01 -0.26012000000E-01 -0.33710000000E-01 -0.71675000000E-01 | 
|---|
|  | 159 | 30.237280000     -0.23172900000     -0.58698000000E-01 -0.72207000000E-01 -0.13540300000     -0.14517300000 | 
|---|
|  | 160 | 12.263620000     -0.37753900000     -0.11457500000     -0.13380200000     -0.15848300000     -0.48280000000 | 
|---|
|  | 161 | 5.2650860000     -0.31862300000     -0.15447200000     -0.23941500000     -0.62053400000     -0.42928300000 | 
|---|
|  | 162 | 2.3334710000     -0.82577000000E-01 -0.23766000000E-01  0.77478000000E-01   1.3741870000       3.6558940000 | 
|---|
|  | 163 | 0.90185600000     -0.31020000000E-02  0.36533400000       1.1802320000      0.84572500000      -5.3943790000 | 
|---|
|  | 164 | 0.35833600000     -0.53700000000E-03  0.53915000000     -0.50772000000E-01  -2.8973320000       4.3124510000 | 
|---|
|  | 165 | 0.14109300000     -0.84000000000E-04  0.23613100000      -1.0739830000       1.8265160000      -1.6751360000 | 
|---|
|  | 166 | }) | 
|---|
|  | 167 | (type: [am = p am = p am = p am = p] | 
|---|
|  | 168 | {exp coef:0 coef:1 coef:2 coef:3} = { | 
|---|
|  | 169 | 126.66660000     -0.11590000000E-02 -0.15400000000E-02  0.29310000000E-02 -0.63820000000E-02 | 
|---|
|  | 170 | 29.837390000     -0.90760000000E-02 -0.12756000000E-01  0.32059000000E-01 -0.44263000000E-01 | 
|---|
|  | 171 | 9.3940380000     -0.41062000000E-01 -0.54403000000E-01  0.13014900000     -0.36049700000 | 
|---|
|  | 172 | 3.4051040000     -0.13086400000     -0.19607800000      0.65773000000     -0.96607400000 | 
|---|
|  | 173 | 1.3500000000     -0.28115600000     -0.57219500000      0.22998800000       2.1275980000 | 
|---|
|  | 174 | 0.55769600000     -0.37948700000     -0.12109800000      -1.3505170000      -1.3666180000 | 
|---|
|  | 175 | 0.23244900000     -0.30847500000      0.68009600000      0.46706600000     -0.25924500000 | 
|---|
|  | 176 | 0.94264000000E-01 -0.10012300000      0.30247400000      0.47162700000      0.72517000000 | 
|---|
|  | 177 | }) | 
|---|
|  | 178 | (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)] | 
|---|
|  | 179 | {exp coef:0 coef:1 coef:2} = { | 
|---|
|  | 180 | 9.8800000000     -0.75870000000E-02 -0.70770000000E-02  0.40590000000E-01 | 
|---|
|  | 181 | 3.9500000000     -0.39504000000E-01 -0.13755200000     -0.69786300000 | 
|---|
|  | 182 | 1.5800000000     -0.29541600000     -0.83975800000     -0.23169800000 | 
|---|
|  | 183 | 0.63000000000     -0.55719100000      0.23227900000       1.3280670000 | 
|---|
|  | 184 | 0.25000000000     -0.26728200000      0.64547300000      -1.0562720000 | 
|---|
|  | 185 | 0.10000000000     -0.22635000000E-01  0.26255000000E-01 -0.45379000000E-01 | 
|---|
|  | 186 | }) | 
|---|
|  | 187 | (type: [(am = f puream = 1) (am = f puream = 1)] | 
|---|
|  | 188 | {exp coef:0 coef:1} = { | 
|---|
|  | 189 | 4.7400000000     -0.15633000000E-01  0.98551000000E-01 | 
|---|
|  | 190 | 1.9000000000     -0.33143900000      0.94062500000 | 
|---|
|  | 191 | 0.76000000000     -0.64192200000     -0.47768200000 | 
|---|
|  | 192 | 0.30000000000     -0.17914900000     -0.47895200000 | 
|---|
|  | 193 | }) | 
|---|
|  | 194 | (type: [(am = g puream = 1)] | 
|---|
|  | 195 | {exp coef:0} = { | 
|---|
|  | 196 | 2.2800000000     -0.10169000000 | 
|---|
|  | 197 | 0.91000000000     -0.21828900000 | 
|---|
|  | 198 | }) | 
|---|
|  | 199 | ] | 
|---|
|  | 200 | % | 
|---|
|  | 201 | % BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g] | 
|---|
|  | 202 | oxygen: "NASA Ames ANO": [ | 
|---|
|  | 203 | (type: [am = s am = s am = s am = s am = s] | 
|---|
|  | 204 | {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { | 
|---|
|  | 205 | 105374.90000     -0.46000000000E-04  0.10000000000E-04 -0.13000000000E-04 -0.18000000000E-04  0.23000000000E-04 | 
|---|
|  | 206 | 15679.240000     -0.36100000000E-03  0.82000000000E-04 -0.99000000000E-04 -0.12400000000E-03  0.20100000000E-03 | 
|---|
|  | 207 | 3534.5450000     -0.19200000000E-02  0.43800000000E-03 -0.53800000000E-03 -0.81900000000E-03  0.89200000000E-03 | 
|---|
|  | 208 | 987.36520000     -0.82060000000E-02  0.18750000000E-02 -0.22490000000E-02 -0.26510000000E-02  0.50000000000E-02 | 
|---|
|  | 209 | 315.97880000     -0.29725000000E-01  0.69090000000E-02 -0.85730000000E-02 -0.13902000000E-01  0.13048000000E-01 | 
|---|
|  | 210 | 111.65430000     -0.90452000000E-01  0.21587000000E-01 -0.26009000000E-01 -0.28890000000E-01  0.68218000000E-01 | 
|---|
|  | 211 | 42.699450000     -0.21740200000      0.56473000000E-01 -0.72913000000E-01 -0.13714200000      0.11491800000 | 
|---|
|  | 212 | 17.395600000     -0.36872000000      0.11324500000     -0.13988400000     -0.12832300000      0.51268900000 | 
|---|
|  | 213 | 7.4383090000     -0.33727700000      0.16070000000     -0.26057800000     -0.71729400000      0.42328500000 | 
|---|
|  | 214 | 3.2228620000     -0.96808000000E-01  0.33672000000E-01  0.72981000000E-01   1.5531810000      -3.6436580000 | 
|---|
|  | 215 | 1.2538770000     -0.26690000000E-02 -0.36024400000       1.2852860000      0.57374800000       5.3817360000 | 
|---|
|  | 216 | 0.49515500000     -0.11980000000E-02 -0.54706600000     -0.22464800000      -2.6840910000      -4.3016680000 | 
|---|
|  | 217 | 0.19166500000      0.31000000000E-04 -0.23853200000     -0.96682000000       1.7723270000       1.6892850000 | 
|---|
|  | 218 | }) | 
|---|
|  | 219 | (type: [am = p am = p am = p am = p] | 
|---|
|  | 220 | {exp coef:0 coef:1 coef:2 coef:3} = { | 
|---|
|  | 221 | 200.00000000     -0.89700000000E-03 -0.11700000000E-02  0.18200000000E-02  0.25650000000E-02 | 
|---|
|  | 222 | 46.533370000     -0.74020000000E-02 -0.95360000000E-02  0.20119000000E-01  0.37524000000E-01 | 
|---|
|  | 223 | 14.621810000     -0.35085000000E-01 -0.46191000000E-01  0.82495000000E-01  0.14745200000 | 
|---|
|  | 224 | 5.3130660000     -0.11579300000     -0.15475500000      0.42203100000      0.97699900000 | 
|---|
|  | 225 | 2.1025250000     -0.25886700000     -0.48773900000      0.58729200000     -0.98914800000 | 
|---|
|  | 226 | 0.85022300000     -0.37216800000     -0.27396000000      -1.0804780000     -0.58555700000 | 
|---|
|  | 227 | 0.33759700000     -0.33629500000      0.56642400000     -0.22909600000       1.6715550000 | 
|---|
|  | 228 | 0.12889200000     -0.14007700000      0.46061900000      0.82329300000      -1.1422140000 | 
|---|
|  | 229 | }) | 
|---|
|  | 230 | (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)] | 
|---|
|  | 231 | {exp coef:0 coef:1 coef:2} = { | 
|---|
|  | 232 | 12.650000000      0.91190000000E-02 -0.69980000000E-02  0.18186000000E-01 | 
|---|
|  | 233 | 5.0600000000      0.49617000000E-01 -0.17998000000     -0.70394700000 | 
|---|
|  | 234 | 2.0200000000      0.33049500000     -0.79608900000     -0.16631000000 | 
|---|
|  | 235 | 0.81000000000      0.55185700000      0.27949700000       1.2517420000 | 
|---|
|  | 236 | 0.32000000000      0.23094800000      0.62414300000     -0.99826700000 | 
|---|
|  | 237 | 0.13000000000      0.19148000000E-01  0.44391000000E-01 -0.94737000000E-01 | 
|---|
|  | 238 | }) | 
|---|
|  | 239 | (type: [(am = f puream = 1) (am = f puream = 1)] | 
|---|
|  | 240 | {exp coef:0 coef:1} = { | 
|---|
|  | 241 | 6.0700000000      0.24630000000E-01  0.13417000000 | 
|---|
|  | 242 | 2.4300000000      0.33057600000      0.84333300000 | 
|---|
|  | 243 | 0.97000000000      0.60260000000     -0.31593300000 | 
|---|
|  | 244 | 0.39000000000      0.23056800000     -0.58066600000 | 
|---|
|  | 245 | }) | 
|---|
|  | 246 | (type: [(am = g puream = 1)] | 
|---|
|  | 247 | {exp coef:0} = { | 
|---|
|  | 248 | 3.1100000000      0.20688500000 | 
|---|
|  | 249 | 1.2400000000      0.51425300000 | 
|---|
|  | 250 | }) | 
|---|
|  | 251 | ] | 
|---|
|  | 252 | % | 
|---|
|  | 253 | % BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g] | 
|---|
|  | 254 | fluorine: "NASA Ames ANO": [ | 
|---|
|  | 255 | (type: [am = s am = s am = s am = s am = s] | 
|---|
|  | 256 | {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { | 
|---|
|  | 257 | 103109.50000     -0.64000000000E-04  0.15000000000E-04  0.19000000000E-04  0.26000000000E-04 -0.29000000000E-04 | 
|---|
|  | 258 | 15281.010000     -0.50300000000E-03  0.11700000000E-03  0.14500000000E-03  0.18000000000E-03 -0.29200000000E-03 | 
|---|
|  | 259 | 3441.5390000     -0.26680000000E-02  0.62100000000E-03  0.78300000000E-03  0.11590000000E-02 -0.10440000000E-02 | 
|---|
|  | 260 | 967.09480000     -0.11200000000E-01  0.26160000000E-02  0.32360000000E-02  0.37830000000E-02 -0.75170000000E-02 | 
|---|
|  | 261 | 314.03530000     -0.39097000000E-01  0.93060000000E-02  0.11877000000E-01  0.18861000000E-01 -0.12561000000E-01 | 
|---|
|  | 262 | 113.44230000     -0.11226300000      0.27721000000E-01  0.34513000000E-01  0.37668000000E-01 -0.10250600000 | 
|---|
|  | 263 | 44.644730000     -0.24719900000      0.67355000000E-01  0.90200000000E-01  0.17122600000     -0.58826000000E-01 | 
|---|
|  | 264 | 18.942870000     -0.36800400000      0.12246600000      0.15736700000      0.12490100000     -0.83565900000 | 
|---|
|  | 265 | 8.5327430000     -0.29086300000      0.15129100000      0.27158400000      0.82897200000      0.38381600000 | 
|---|
|  | 266 | 3.9194010000     -0.78165000000E-01  0.79700000000E-02 -0.17565000000      -2.0976590000       2.9238160000 | 
|---|
|  | 267 | 1.5681570000     -0.35660000000E-02 -0.37155100000      -1.3303090000      0.18951600000      -5.1744710000 | 
|---|
|  | 268 | 0.62329000000     -0.82800000000E-03 -0.54143100000      0.42956200000       2.1772700000       4.4094980000 | 
|---|
|  | 269 | 0.24086100000     -0.99000000000E-04 -0.22418200000      0.84766700000      -1.6405690000      -1.8093660000 | 
|---|
|  | 270 | }) | 
|---|
|  | 271 | (type: [am = p am = p am = p am = p] | 
|---|
|  | 272 | {exp coef:0 coef:1 coef:2 coef:3} = { | 
|---|
|  | 273 | 245.33030000      0.99100000000E-03 -0.13410000000E-02  0.19510000000E-02 -0.35290000000E-02 | 
|---|
|  | 274 | 56.919010000      0.83130000000E-02 -0.11638000000E-01  0.23985000000E-01 -0.36530000000E-01 | 
|---|
|  | 275 | 17.604570000      0.40851000000E-01 -0.56092000000E-01  0.94178000000E-01 -0.21464900000 | 
|---|
|  | 276 | 6.2749950000      0.13569100000     -0.20863000000      0.54687700000      -1.0303070000 | 
|---|
|  | 277 | 2.4470300000      0.28104800000     -0.53262900000      0.39519000000       1.5924550000 | 
|---|
|  | 278 | 0.99506000000      0.36052900000     -0.13704600000      -1.2697250000     -0.32108700000 | 
|---|
|  | 279 | 0.40397300000      0.31431000000      0.59899600000      0.17996600000      -1.0965660000 | 
|---|
|  | 280 | 0.15481000000      0.13271700000      0.37547100000      0.64457700000       1.0024140000 | 
|---|
|  | 281 | }) | 
|---|
|  | 282 | (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)] | 
|---|
|  | 283 | {exp coef:0 coef:1 coef:2} = { | 
|---|
|  | 284 | 16.010000000     -0.10626000000E-01 -0.91840000000E-02  0.95370000000E-02 | 
|---|
|  | 285 | 6.4000000000     -0.55418000000E-01 -0.21105600000     -0.74895300000 | 
|---|
|  | 286 | 2.5600000000     -0.35409800000     -0.77665300000     -0.50937000000E-01 | 
|---|
|  | 287 | 1.0200000000     -0.54532900000      0.32750200000       1.1930080000 | 
|---|
|  | 288 | 0.41000000000     -0.20701900000      0.59585300000      -1.0266900000 | 
|---|
|  | 289 | 0.16000000000     -0.20040000000E-01  0.47261000000E-01 -0.73271000000E-01 | 
|---|
|  | 290 | }) | 
|---|
|  | 291 | (type: [(am = f puream = 1) (am = f puream = 1)] | 
|---|
|  | 292 | {exp coef:0 coef:1} = { | 
|---|
|  | 293 | 7.6800000000      0.27929000000E-01  0.17026700000 | 
|---|
|  | 294 | 3.0700000000      0.35229600000      0.82259700000 | 
|---|
|  | 295 | 1.2300000000      0.60197900000     -0.36536000000 | 
|---|
|  | 296 | 0.49000000000      0.20475600000     -0.55648300000 | 
|---|
|  | 297 | }) | 
|---|
|  | 298 | (type: [(am = g puream = 1)] | 
|---|
|  | 299 | {exp coef:0} = { | 
|---|
|  | 300 | 3.6900000000      0.24225000000 | 
|---|
|  | 301 | 1.4800000000      0.48480000000 | 
|---|
|  | 302 | }) | 
|---|
|  | 303 | ] | 
|---|
|  | 304 | % | 
|---|
|  | 305 | % BASIS SET: (13s,8p,6d,4f,2g) -> [5s,4p,3d,2f,1g] | 
|---|
|  | 306 | neon: "NASA Ames ANO": [ | 
|---|
|  | 307 | (type: [am = s am = s am = s am = s am = s] | 
|---|
|  | 308 | {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { | 
|---|
|  | 309 | 166165.10000     -0.47000000000E-04  0.11000000000E-04  0.14000000000E-04  0.20000000000E-04  0.20000000000E-04 | 
|---|
|  | 310 | 23107.520000     -0.40100000000E-03  0.94000000000E-04  0.11800000000E-03  0.14500000000E-03  0.23300000000E-03 | 
|---|
|  | 311 | 5060.1540000     -0.21930000000E-02  0.51800000000E-03  0.66400000000E-03  0.98600000000E-03  0.77300000000E-03 | 
|---|
|  | 312 | 1384.6120000     -0.95880000000E-02  0.22660000000E-02  0.28190000000E-02  0.32570000000E-02  0.63680000000E-02 | 
|---|
|  | 313 | 436.51260000     -0.35074000000E-01  0.84540000000E-02  0.10980000000E-01  0.17425000000E-01  0.10250000000E-01 | 
|---|
|  | 314 | 153.47150000     -0.10465200000      0.26049000000E-01  0.32457000000E-01  0.34769000000E-01  0.92651000000E-01 | 
|---|
|  | 315 | 59.389090000     -0.23771500000      0.65296000000E-01  0.89380000000E-01  0.16861800000      0.46375000000E-01 | 
|---|
|  | 316 | 24.861970000     -0.36960300000      0.12233800000      0.15565000000      0.12107900000      0.80935400000 | 
|---|
|  | 317 | 11.015700000     -0.30617600000      0.15817700000      0.29400900000      0.89268700000     -0.35181300000 | 
|---|
|  | 318 | 4.9651750000     -0.84181000000E-01  0.68050000000E-02 -0.20560400000      -2.2664330000      -2.7602720000 | 
|---|
|  | 319 | 1.9365030000     -0.37260000000E-02 -0.38402600000      -1.3584610000      0.50349900000       4.9964210000 | 
|---|
|  | 320 | 0.76572800000     -0.90600000000E-03 -0.53645300000      0.53844400000       1.9000480000      -4.4339140000 | 
|---|
|  | 321 | 0.29553800000     -0.97000000000E-04 -0.21530100000      0.77958700000      -1.5575610000       1.8817270000 | 
|---|
|  | 322 | }) | 
|---|
|  | 323 | (type: [am = p am = p am = p am = p] | 
|---|
|  | 324 | {exp coef:0 coef:1 coef:2 coef:3} = { | 
|---|
|  | 325 | 234.94500000      0.15830000000E-02  0.22120000000E-02  0.34260000000E-02  0.77930000000E-02 | 
|---|
|  | 326 | 55.077390000      0.12576000000E-01  0.18574000000E-01  0.36509000000E-01  0.40782000000E-01 | 
|---|
|  | 327 | 17.389550000      0.56998000000E-01  0.81483000000E-01  0.14499300000      0.43918600000 | 
|---|
|  | 328 | 6.3895370000      0.16817600000      0.29386000000      0.73906600000      0.77326300000 | 
|---|
|  | 329 | 2.5420820000      0.30721800000      0.54076900000     -0.12185400000      -2.1396120000 | 
|---|
|  | 330 | 1.0337640000      0.35932000000     -0.95210000000E-01  -1.2039080000       1.6738260000 | 
|---|
|  | 331 | 0.41878800000      0.27778200000     -0.60727600000      0.63711900000     -0.78819000000E-01 | 
|---|
|  | 332 | 0.16462700000      0.95940000000E-01 -0.24687100000      0.37050600000     -0.59694500000 | 
|---|
|  | 333 | }) | 
|---|
|  | 334 | (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)] | 
|---|
|  | 335 | {exp coef:0 coef:1 coef:2} = { | 
|---|
|  | 336 | 19.760000000      0.11914000000E-01  0.11580000000E-01 -0.39030000000E-02 | 
|---|
|  | 337 | 7.9100000000      0.61798000000E-01  0.23459700000      0.78608500000 | 
|---|
|  | 338 | 3.1600000000      0.37085200000      0.75975200000     -0.40908000000E-01 | 
|---|
|  | 339 | 1.2600000000      0.53747300000     -0.36305200000      -1.1330200000 | 
|---|
|  | 340 | 0.51000000000      0.19184200000     -0.57492400000       1.0283870000 | 
|---|
|  | 341 | 0.20000000000      0.20017000000E-01 -0.49291000000E-01  0.62378000000E-01 | 
|---|
|  | 342 | }) | 
|---|
|  | 343 | (type: [(am = f puream = 1) (am = f puream = 1)] | 
|---|
|  | 344 | {exp coef:0 coef:1} = { | 
|---|
|  | 345 | 9.4900000000      0.26660000000E-01 -0.20820600000 | 
|---|
|  | 346 | 3.7900000000      0.38775800000     -0.79761700000 | 
|---|
|  | 347 | 1.5200000000      0.60859300000      0.43645300000 | 
|---|
|  | 348 | 0.61000000000      0.14900200000      0.52192500000 | 
|---|
|  | 349 | }) | 
|---|
|  | 350 | (type: [(am = g puream = 1)] | 
|---|
|  | 351 | {exp coef:0} = { | 
|---|
|  | 352 | 4.5500000000     -0.25148000000 | 
|---|
|  | 353 | 1.8200000000     -0.47740100000 | 
|---|
|  | 354 | }) | 
|---|
|  | 355 | ] | 
|---|
|  | 356 | % | 
|---|
|  | 357 | % BASIS SET: (20s,13p,6d,4f,2g) -> [6s,5p,3d,2f,1g] | 
|---|
|  | 358 | aluminum: "NASA Ames ANO": [ | 
|---|
|  | 359 | (type: [am = s am = s am = s am = s am = s am = s] | 
|---|
|  | 360 | {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = { | 
|---|
|  | 361 | 446287.30000     -0.22000000000E-04  0.60000000000E-05  0.10000000000E-05  0.20000000000E-05 -0.30000000000E-05  0.40000000000E-05 | 
|---|
|  | 362 | 192715.40000     -0.80000000000E-05  0.20000000000E-05             0.      0.10000000000E-05             0.                 0. | 
|---|
|  | 363 | 83218.170000     -0.99000000000E-04  0.26000000000E-04  0.60000000000E-05  0.80000000000E-05 -0.15000000000E-04  0.22000000000E-04 | 
|---|
|  | 364 | 35935.190000     -0.20200000000E-03  0.53000000000E-04  0.12000000000E-04  0.16000000000E-04 -0.11000000000E-04  0.23000000000E-04 | 
|---|
|  | 365 | 15517.500000     -0.65500000000E-03  0.17100000000E-03  0.40000000000E-04  0.54000000000E-04 -0.10200000000E-03  0.14500000000E-03 | 
|---|
|  | 366 | 6700.7540000     -0.17980000000E-02  0.46800000000E-03  0.10800000000E-03  0.14300000000E-03 -0.12800000000E-03  0.23400000000E-03 | 
|---|
|  | 367 | 2893.5130000     -0.51340000000E-02  0.13420000000E-02  0.31300000000E-03  0.42400000000E-03 -0.75700000000E-03  0.10860000000E-02 | 
|---|
|  | 368 | 1249.4740000     -0.14384000000E-01  0.37890000000E-02  0.87700000000E-03  0.11640000000E-02 -0.11800000000E-02  0.20650000000E-02 | 
|---|
|  | 369 | 539.54680000     -0.39042000000E-01  0.10467000000E-01  0.24460000000E-02  0.33080000000E-02 -0.56330000000E-02  0.81480000000E-02 | 
|---|
|  | 370 | 232.98660000     -0.10022800000      0.27947000000E-01  0.65020000000E-02  0.86610000000E-02 -0.93640000000E-02  0.16495000000E-01 | 
|---|
|  | 371 | 100.60810000     -0.22214900000      0.67613000000E-01  0.15947000000E-01  0.21643000000E-01 -0.36785000000E-01  0.54418000000E-01 | 
|---|
|  | 372 | 43.444480000     -0.37088400000      0.13805300000      0.32830000000E-01  0.43934000000E-01 -0.45064000000E-01  0.82752000000E-01 | 
|---|
|  | 373 | 18.760160000     -0.31935900000      0.17863900000      0.44489000000E-01  0.62028000000E-01 -0.12955600000      0.19071900000 | 
|---|
|  | 374 | 8.1009930000     -0.75862000000E-01 -0.28750000000E-02 -0.21180000000E-02 -0.79070000000E-02  0.12469500000     -0.22690800000 | 
|---|
|  | 375 | 3.4981640000     -0.24550000000E-02 -0.41752100000     -0.11907500000     -0.17253100000      0.31752000000E-01 -0.31681000000 | 
|---|
|  | 376 | 1.5105740000     -0.88600000000E-03 -0.55315400000     -0.24352700000     -0.39065800000       1.3512900000      -1.8304500000 | 
|---|
|  | 377 | 0.65229500000     -0.39000000000E-04 -0.15529300000     -0.18415800000     -0.31681800000      -1.8128290000       6.1097180000 | 
|---|
|  | 378 | 0.28167300000      0.18000000000E-04  0.28370000000E-02  0.29909100000       1.8109780000      -1.2513990000      -7.9328300000 | 
|---|
|  | 379 | 0.12163200000     -0.11000000000E-04 -0.22720000000E-02  0.63751600000     -0.19642400000       3.6932350000       5.9405300000 | 
|---|
|  | 380 | 0.52523000000E-01  0.50000000000E-05  0.47600000000E-03  0.28228000000      -1.0963580000      -2.2089260000      -2.2054020000 | 
|---|
|  | 381 | }) | 
|---|
|  | 382 | (type: [am = p am = p am = p am = p am = p] | 
|---|
|  | 383 | {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { | 
|---|
|  | 384 | 1086.6970000     -0.26500000000E-03 -0.50000000000E-04 -0.63000000000E-04 -0.35000000000E-04 -0.23000000000E-04 | 
|---|
|  | 385 | 439.52740000     -0.78200000000E-03 -0.14900000000E-03 -0.17000000000E-03 -0.53200000000E-03 -0.12280000000E-02 | 
|---|
|  | 386 | 177.77200000     -0.41300000000E-02 -0.77700000000E-03 -0.98200000000E-03 -0.55800000000E-03 -0.40400000000E-03 | 
|---|
|  | 387 | 71.901960000     -0.17006000000E-01 -0.32370000000E-02 -0.38320000000E-02 -0.84590000000E-02 -0.18592000000E-01 | 
|---|
|  | 388 | 29.081590000     -0.63666000000E-01 -0.12184000000E-01 -0.14997000000E-01 -0.14267000000E-01 -0.22672000000E-01 | 
|---|
|  | 389 | 11.762390000     -0.18708000000     -0.36704000000E-01 -0.43493000000E-01 -0.88060000000E-01 -0.19610100000 | 
|---|
|  | 390 | 4.7574350000     -0.36080600000     -0.71795000000E-01 -0.91430000000E-01 -0.83572000000E-01 -0.12868900000 | 
|---|
|  | 391 | 1.9242000000     -0.40521800000     -0.87493000000E-01 -0.10740800000     -0.35654400000     -0.76144900000 | 
|---|
|  | 392 | 0.77826500000     -0.17952300000     -0.30591000000E-01 -0.13706600000      0.34558100000       2.6403520000 | 
|---|
|  | 393 | 0.31477800000     -0.90350000000E-02  0.22943400000      0.81786600000       1.4428600000      -2.7866990000 | 
|---|
|  | 394 | 0.12731600000     -0.35340000000E-02  0.50167000000      0.38848300000      -2.2406190000       1.4688110000 | 
|---|
|  | 395 | 0.51494000000E-01  0.13060000000E-02  0.36808400000     -0.94985700000      0.98372400000      0.26120000000E-02 | 
|---|
|  | 396 | 0.20827000000E-01 -0.48800000000E-03  0.52482000000E-01 -0.14691300000      0.23980900000     -0.51080500000 | 
|---|
|  | 397 | }) | 
|---|
|  | 398 | (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)] | 
|---|
|  | 399 | {exp coef:0 coef:1 coef:2} = { | 
|---|
|  | 400 | 3.0700000000      0.12695000000E-01  0.28205000000E-01  0.81998000000E-01 | 
|---|
|  | 401 | 1.2300000000      0.78300000000E-02 -0.13344300000      0.12205400000 | 
|---|
|  | 402 | 0.49000000000      0.17393900000      0.73980300000      -1.5552120000 | 
|---|
|  | 403 | 0.20000000000      0.59214500000      0.32958200000       1.9529650000 | 
|---|
|  | 404 | 0.80000000000E-01  0.35237200000     -0.93902700000     -0.93219000000 | 
|---|
|  | 405 | 0.30000000000E-01  0.17019000000E-01 -0.53449000000E-01 -0.18925700000 | 
|---|
|  | 406 | }) | 
|---|
|  | 407 | (type: [(am = f puream = 1) (am = f puream = 1)] | 
|---|
|  | 408 | {exp coef:0 coef:1} = { | 
|---|
|  | 409 | 1.5800000000      0.21013000000E-01 -0.14964200000 | 
|---|
|  | 410 | 0.63000000000     -0.14268600000      0.77827800000 | 
|---|
|  | 411 | 0.25000000000     -0.68598800000      0.22763800000 | 
|---|
|  | 412 | 0.10000000000     -0.31853400000     -0.86412700000 | 
|---|
|  | 413 | }) | 
|---|
|  | 414 | (type: [(am = g puream = 1)] | 
|---|
|  | 415 | {exp coef:0} = { | 
|---|
|  | 416 | 1.0600000000     -0.84737000000E-01 | 
|---|
|  | 417 | 0.42000000000     -0.23214000000 | 
|---|
|  | 418 | }) | 
|---|
|  | 419 | ] | 
|---|
|  | 420 | % | 
|---|
|  | 421 | % BASIS SET: (18s,13p,6d,4f,2g) -> [6s,5p,3d,2f,1g] | 
|---|
|  | 422 | phosphorus: "NASA Ames ANO": [ | 
|---|
|  | 423 | (type: [am = s am = s am = s am = s am = s am = s] | 
|---|
|  | 424 | {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = { | 
|---|
|  | 425 | 1948462.0000      0.60000000000E-05  0.20000000000E-05             0.     -0.10000000000E-05 -0.10000000000E-05 -0.10000000000E-05 | 
|---|
|  | 426 | 291808.80000      0.46000000000E-04  0.12000000000E-04  0.30000000000E-05 -0.40000000000E-05 -0.50000000000E-05 -0.90000000000E-05 | 
|---|
|  | 427 | 66414.490000      0.23900000000E-03  0.65000000000E-04  0.18000000000E-04 -0.23000000000E-04 -0.33000000000E-04 -0.63000000000E-04 | 
|---|
|  | 428 | 18812.820000      0.10110000000E-02  0.27400000000E-03  0.76000000000E-04 -0.94000000000E-04 -0.10700000000E-03 -0.18900000000E-03 | 
|---|
|  | 429 | 6137.6770000      0.36670000000E-02  0.10010000000E-02  0.27700000000E-03 -0.35300000000E-03 -0.54200000000E-03 -0.10430000000E-02 | 
|---|
|  | 430 | 2215.7920000      0.11827000000E-01  0.32390000000E-02  0.89200000000E-03 -0.11090000000E-02 -0.11510000000E-02 -0.19740000000E-02 | 
|---|
|  | 431 | 864.22400000      0.34203000000E-01  0.95550000000E-02  0.26480000000E-02 -0.33970000000E-02 -0.55720000000E-02 -0.10920000000E-01 | 
|---|
|  | 432 | 358.39630000      0.87565000000E-01  0.25249000000E-01  0.69780000000E-02 -0.86340000000E-02 -0.78440000000E-02 -0.12978000000E-01 | 
|---|
|  | 433 | 156.15840000      0.18940500000      0.59367000000E-01  0.16644000000E-01 -0.21642000000E-01 -0.39408000000E-01 -0.80204000000E-01 | 
|---|
|  | 434 | 70.839400000      0.31550000000      0.11523800000      0.32456000000E-01 -0.39862000000E-01 -0.24415000000E-01 -0.34087000000E-01 | 
|---|
|  | 435 | 33.203260000      0.33246200000      0.16962000000      0.49999000000E-01 -0.68305000000E-01 -0.16283400000     -0.36511300000 | 
|---|
|  | 436 | 15.773060000      0.15893600000      0.98439000000E-01  0.28933000000E-01 -0.29620000000E-01  0.10576600000      0.33884200000 | 
|---|
|  | 437 | 6.6411840000      0.17679000000E-01 -0.24416300000     -0.80043000000E-01  0.11050900000     -0.16206600000     -0.11314600000 | 
|---|
|  | 438 | 3.0675010000     -0.62500000000E-03 -0.56456300000     -0.25494100000      0.38169000000       1.4916960000       2.9594160000 | 
|---|
|  | 439 | 1.4162150000      0.72600000000E-03 -0.33472000000     -0.27555000000      0.40864700000      -1.1900970000      -5.5133780000 | 
|---|
|  | 440 | 0.47081100000     -0.22400000000E-03 -0.23480000000E-01  0.32550400000      -1.8725740000      -2.2231430000       6.1801650000 | 
|---|
|  | 441 | 0.21157900000      0.10600000000E-03  0.42390000000E-02  0.64616800000      0.36405900000       4.2408410000      -5.0965400000 | 
|---|
|  | 442 | 0.88777000000E-01 -0.33000000000E-04 -0.11790000000E-02  0.24719400000       1.0430610000      -2.3273390000       1.8302610000 | 
|---|
|  | 443 | }) | 
|---|
|  | 444 | (type: [am = p am = p am = p am = p am = p] | 
|---|
|  | 445 | {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { | 
|---|
|  | 446 | 2956.2620000      0.11000000000E-03  0.26000000000E-04 -0.35000000000E-04 -0.54000000000E-04  0.57000000000E-04 | 
|---|
|  | 447 | 700.28480000      0.96900000000E-03  0.23300000000E-03 -0.28900000000E-03 -0.51500000000E-03  0.12260000000E-02 | 
|---|
|  | 448 | 227.31390000      0.53990000000E-02  0.13010000000E-02 -0.17140000000E-02 -0.26990000000E-02  0.29070000000E-02 | 
|---|
|  | 449 | 86.561840000      0.22171000000E-01  0.53800000000E-02 -0.66670000000E-02 -0.12086000000E-01  0.29584000000E-01 | 
|---|
|  | 450 | 36.333860000      0.70711000000E-01  0.17407000000E-01 -0.22979000000E-01 -0.36192000000E-01  0.39702000000E-01 | 
|---|
|  | 451 | 16.293470000      0.17153500000      0.43301000000E-01 -0.53361000000E-01 -0.10255400000      0.28307600000 | 
|---|
|  | 452 | 7.5789660000      0.30022500000      0.77458000000E-01 -0.10791500000     -0.17158700000      0.51994000000E-01 | 
|---|
|  | 453 | 3.5788590000      0.36061700000      0.98345000000E-01 -0.10799800000     -0.21174100000      0.88756900000 | 
|---|
|  | 454 | 1.6980420000      0.23564000000      0.60703000000E-01 -0.16715400000     -0.42557000000E-01  -2.5179650000 | 
|---|
|  | 455 | 0.76335800000      0.48380000000E-01 -0.14189000000      0.52824800000       1.8194620000       1.6696120000 | 
|---|
|  | 456 | 0.34211900000      0.72000000000E-04 -0.42221900000      0.79493300000      -1.6852000000      0.56800200000 | 
|---|
|  | 457 | 0.14862000000      0.99300000000E-03 -0.44160500000     -0.71429300000     -0.22803100000      -1.7810500000 | 
|---|
|  | 458 | 0.62345000000E-01 -0.18700000000E-03 -0.15329700000     -0.49072600000      0.84354400000       1.1614360000 | 
|---|
|  | 459 | }) | 
|---|
|  | 460 | (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)] | 
|---|
|  | 461 | {exp coef:0 coef:1 coef:2} = { | 
|---|
|  | 462 | 4.6000000000     -0.19876000000E-01  0.63540000000E-02  0.18522000000 | 
|---|
|  | 463 | 1.8400000000     -0.17841000000E-01  0.95553000000E-01 -0.37442000000 | 
|---|
|  | 464 | 0.74000000000     -0.32657100000      -1.0098100000     -0.87925500000 | 
|---|
|  | 465 | 0.29000000000     -0.60841800000      0.26989900000       1.8945390000 | 
|---|
|  | 466 | 0.12000000000     -0.17889500000      0.73561500000      -1.4375760000 | 
|---|
|  | 467 | 0.47000000000E-01 -0.10694000000E-01 -0.27012000000E-01  0.11468800000 | 
|---|
|  | 468 | }) | 
|---|
|  | 469 | (type: [(am = f puream = 1) (am = f puream = 1)] | 
|---|
|  | 470 | {exp coef:0 coef:1} = { | 
|---|
|  | 471 | 2.2100000000      0.22867000000E-01 -0.11528200000 | 
|---|
|  | 472 | 0.88000000000     -0.31525600000       1.0917640000 | 
|---|
|  | 473 | 0.35000000000     -0.69573600000     -0.49025900000 | 
|---|
|  | 474 | 0.14000000000     -0.13644600000     -0.50432300000 | 
|---|
|  | 475 | }) | 
|---|
|  | 476 | (type: [(am = g puream = 1)] | 
|---|
|  | 477 | {exp coef:0} = { | 
|---|
|  | 478 | 1.0600000000     -0.84737000000E-01 | 
|---|
|  | 479 | 0.42000000000     -0.23214000000 | 
|---|
|  | 480 | }) | 
|---|
|  | 481 | ] | 
|---|
|  | 482 | % | 
|---|
|  | 483 | % BASIS SET: (21s,16p,10d,6f) -> [7s,6p,4d,2f] | 
|---|
|  | 484 | titanium: "NASA Ames ANO": [ | 
|---|
|  | 485 | (type: [am = s am = s am = s am = s am = s am = s] | 
|---|
|  | 486 | {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = { | 
|---|
|  | 487 | 5309148.1000      0.40000000000E-05 -0.10000000000E-05             0.                 0.     -0.11000000000E-04 -0.27000000000E-04 | 
|---|
|  | 488 | 794951.65000      0.34000000000E-04 -0.10000000000E-04  0.40000000000E-05 -0.10000000000E-05  0.87000000000E-04  0.14300000000E-03 | 
|---|
|  | 489 | 180907.56000      0.18000000000E-03 -0.53000000000E-04  0.18000000000E-04 -0.50000000000E-05 -0.55000000000E-04 -0.46700000000E-03 | 
|---|
|  | 490 | 51241.933000      0.75900000000E-03 -0.22400000000E-03  0.78000000000E-04 -0.20000000000E-04 -0.15000000000E-04  0.18390000000E-02 | 
|---|
|  | 491 | 16717.449000      0.27570000000E-02 -0.81800000000E-03  0.28400000000E-03 -0.72000000000E-04 -0.13800000000E-03 -0.15630000000E-02 | 
|---|
|  | 492 | 6035.2659000      0.89250000000E-02 -0.26590000000E-02  0.92300000000E-03 -0.23300000000E-03 -0.38900000000E-03  0.44000000000E-04 | 
|---|
|  | 493 | 2353.8571000      0.26062000000E-01 -0.78790000000E-02  0.27420000000E-02 -0.69400000000E-03 -0.12610000000E-02 -0.22500000000E-02 | 
|---|
|  | 494 | 976.14646000      0.68190000000E-01 -0.21222000000E-01  0.74000000000E-02 -0.18700000000E-02 -0.31060000000E-02 -0.46630000000E-02 | 
|---|
|  | 495 | 425.43563000      0.15434900000     -0.51422000000E-01  0.18119000000E-01 -0.45860000000E-02 -0.85010000000E-02 -0.13189000000E-01 | 
|---|
|  | 496 | 193.04677000      0.28028100000     -0.10670100000      0.38103000000E-01 -0.96410000000E-02 -0.15420000000E-01 -0.23380000000E-01 | 
|---|
|  | 497 | 90.439369000      0.34839800000     -0.17468200000      0.64879000000E-01 -0.16477000000E-01 -0.32454000000E-01 -0.51757000000E-01 | 
|---|
|  | 498 | 43.020713000      0.22170600000     -0.15604000000      0.60671000000E-01 -0.15436000000E-01 -0.18895000000E-01 -0.25104000000E-01 | 
|---|
|  | 499 | 19.190555000      0.40021000000E-01  0.12930300000     -0.55249000000E-01  0.14060000000E-01  0.35420000000E-02 -0.79240000000E-02 | 
|---|
|  | 500 | 9.4257164000     -0.21380000000E-02  0.53846200000     -0.31260300000      0.83681000000E-01  0.20033100000      0.36059400000 | 
|---|
|  | 501 | 4.6052434000      0.17210000000E-02  0.43572600000     -0.40165600000      0.11248200000      0.11920400000      0.16409100000 | 
|---|
|  | 502 | 2.0378343000     -0.80200000000E-03  0.68121000000E-01  0.17168700000     -0.58959000000E-01  0.57966000000E-01  0.23936000000E-01 | 
|---|
|  | 503 | 0.98003180000      0.35700000000E-03 -0.24430000000E-02  0.68949300000     -0.25197700000      -1.0238220000      -2.3564030000 | 
|---|
|  | 504 | 0.44562540000     -0.14600000000E-03  0.19660000000E-02  0.39421500000     -0.28092400000      0.27351900000       2.6846180000 | 
|---|
|  | 505 | 0.10641700000      0.55000000000E-04 -0.44000000000E-03  0.25701000000E-01  0.34555400000       2.0478550000     -0.33120000000E-01 | 
|---|
|  | 506 | 0.52570500000E-01 -0.48000000000E-04  0.39200000000E-03 -0.98290000000E-02  0.61913000000      -1.1914050000      -2.3662390000 | 
|---|
|  | 507 | }) | 
|---|
|  | 508 | (type: [am = s] | 
|---|
|  | 509 | {exp coef:0} = { | 
|---|
|  | 510 | 0.24356800000E-01   1.0000000000 | 
|---|
|  | 511 | }) | 
|---|
|  | 512 | (type: [am = p am = p am = p am = p am = p] | 
|---|
|  | 513 | {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { | 
|---|
|  | 514 | 7999.8045000      0.88000000000E-04 -0.29000000000E-04  0.90000000000E-05 -0.27100000000E-03 -0.92700000000E-03 | 
|---|
|  | 515 | 1894.4515000      0.77700000000E-03 -0.26000000000E-03  0.80000000000E-04  0.24100000000E-03  0.41830000000E-02 | 
|---|
|  | 516 | 615.18748000      0.44040000000E-02 -0.14730000000E-02  0.46300000000E-03  0.94100000000E-03 -0.14198000000E-01 | 
|---|
|  | 517 | 234.92741000      0.18664000000E-01 -0.63160000000E-02  0.19570000000E-02  0.36340000000E-02  0.15430000000E-01 | 
|---|
|  | 518 | 99.213753000      0.62070000000E-01 -0.21338000000E-01  0.67220000000E-02  0.13130000000E-01  0.58240000000E-02 | 
|---|
|  | 519 | 44.916140000      0.15907700000     -0.56771000000E-01  0.17642000000E-01  0.34302000000E-01  0.46823000000E-01 | 
|---|
|  | 520 | 21.249717000      0.29696400000     -0.10979400000      0.34953000000E-01  0.66544000000E-01  0.48629000000E-01 | 
|---|
|  | 521 | 10.330458000      0.36881300000     -0.14716700000      0.45819000000E-01  0.97163000000E-01  0.16615100000 | 
|---|
|  | 522 | 5.1049799000      0.23482900000     -0.55063000000E-01  0.18077000000E-01  0.27816000000E-01 -0.44102000000E-01 | 
|---|
|  | 523 | 2.4406904000      0.49347000000E-01  0.24495800000     -0.95217000000E-01 -0.18187800000     -0.19606300000 | 
|---|
|  | 524 | 1.1512050000      0.98700000000E-03  0.47224500000     -0.17326800000     -0.59225400000      -1.0183170000 | 
|---|
|  | 525 | 0.52955560000      0.80400000000E-03  0.36051200000     -0.18842200000      0.12635000000       1.7213560000 | 
|---|
|  | 526 | 0.22119000000     -0.22000000000E-03  0.81128000000E-01  0.24079200000       1.2972330000     -0.28412400000 | 
|---|
|  | 527 | 0.88000000000E-01  0.10200000000E-03 -0.15090000000E-02  0.71343500000     -0.55877200000      -1.3692490000 | 
|---|
|  | 528 | 0.35000000000E-01 -0.52000000000E-04  0.21630000000E-02  0.20695000000     -0.52350500000       1.3006420000 | 
|---|
|  | 529 | }) | 
|---|
|  | 530 | (type: [am = p] | 
|---|
|  | 531 | {exp coef:0} = { | 
|---|
|  | 532 | 0.14000000000E-01   1.0000000000 | 
|---|
|  | 533 | }) | 
|---|
|  | 534 | (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1)] | 
|---|
|  | 535 | {exp coef:0 coef:1 coef:2} = { | 
|---|
|  | 536 | 89.569201000      0.18510000000E-02 -0.16830000000E-02  0.25370000000E-02 | 
|---|
|  | 537 | 26.584356000      0.13854000000E-01 -0.12689000000E-01  0.18217000000E-01 | 
|---|
|  | 538 | 9.7710323000      0.54772000000E-01 -0.50375000000E-01  0.75384000000E-01 | 
|---|
|  | 539 | 3.9619329000      0.14875300000     -0.13902900000      0.20777100000 | 
|---|
|  | 540 | 1.6892689000      0.26607800000     -0.23553300000      0.30216400000 | 
|---|
|  | 541 | 0.71567060000      0.32610100000     -0.24368700000      0.90361000000E-01 | 
|---|
|  | 542 | 0.29381060000      0.31270200000      0.29629000000E-01 -0.59527000000 | 
|---|
|  | 543 | 0.11083050000      0.22315900000      0.44675900000     -0.36238700000 | 
|---|
|  | 544 | 0.44000000000E-01  0.88219000000E-01  0.43363800000      0.61029700000 | 
|---|
|  | 545 | }) | 
|---|
|  | 546 | (type: [(am = d puream = 1)] | 
|---|
|  | 547 | {exp coef:0} = { | 
|---|
|  | 548 | 0.18000000000E-01   1.0000000000 | 
|---|
|  | 549 | }) | 
|---|
|  | 550 | (type: [(am = f puream = 1) (am = f puream = 1)] | 
|---|
|  | 551 | {exp coef:0 coef:1} = { | 
|---|
|  | 552 | 5.4350000000      0.22889000000E-01 -0.68354000000E-01 | 
|---|
|  | 553 | 2.1740000000      0.91344000000E-01 -0.27251600000 | 
|---|
|  | 554 | 0.87000000000      0.27210400000     -0.52888000000 | 
|---|
|  | 555 | 0.34800000000      0.47156400000     -0.62389000000E-01 | 
|---|
|  | 556 | 0.13900000000      0.36914300000      0.54159900000 | 
|---|
|  | 557 | 0.56000000000E-01  0.10581900000      0.26537500000 | 
|---|
|  | 558 | }) | 
|---|
|  | 559 | ] | 
|---|
|  | 560 | % | 
|---|
|  | 561 | % BASIS SET: (20s,15p,10d,6f,4g) -> [7s,6p,4d,3f,2g] | 
|---|
|  | 562 | iron: "NASA Ames ANO": [ | 
|---|
|  | 563 | (type: [am = s am = s am = s am = s am = s am = s] | 
|---|
|  | 564 | {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = { | 
|---|
|  | 565 | 4316265.3000      0.90000000000E-05  0.30000000000E-05  0.10000000000E-05             0.                 0.     -0.10000000000E-05 | 
|---|
|  | 566 | 646342.42000      0.67000000000E-04  0.20000000000E-04  0.80000000000E-05 -0.20000000000E-05 -0.40000000000E-05 -0.60000000000E-05 | 
|---|
|  | 567 | 147089.73000      0.35400000000E-03  0.10800000000E-03  0.40000000000E-04 -0.90000000000E-05 -0.19000000000E-04 -0.32000000000E-04 | 
|---|
|  | 568 | 41661.522000      0.14940000000E-02  0.45400000000E-03  0.16700000000E-03 -0.39000000000E-04 -0.82000000000E-04 -0.13800000000E-03 | 
|---|
|  | 569 | 13590.765000      0.54110000000E-02  0.16500000000E-02  0.60800000000E-03 -0.14200000000E-03 -0.28100000000E-03 -0.48300000000E-03 | 
|---|
|  | 570 | 4905.7500000      0.17353000000E-01  0.53420000000E-02  0.19740000000E-02 -0.46000000000E-03 -0.98100000000E-03 -0.16450000000E-02 | 
|---|
|  | 571 | 1912.7458000      0.49540000000E-01  0.15619000000E-01  0.57800000000E-02 -0.13460000000E-02 -0.26260000000E-02 -0.45450000000E-02 | 
|---|
|  | 572 | 792.60434000      0.12303500000      0.40889000000E-01  0.15252000000E-01 -0.35610000000E-02 -0.77430000000E-02 -0.12905000000E-01 | 
|---|
|  | 573 | 344.80648000      0.24929300000      0.92911000000E-01  0.35056000000E-01 -0.81790000000E-02 -0.15494000000E-01 -0.27211000000E-01 | 
|---|
|  | 574 | 155.89989000      0.35857200000      0.16894600000      0.65883000000E-01 -0.15484000000E-01 -0.35419000000E-01 -0.58435000000E-01 | 
|---|
|  | 575 | 72.230908000      0.27747900000      0.19100100000      0.78156000000E-01 -0.18372000000E-01 -0.29221000000E-01 -0.55987000000E-01 | 
|---|
|  | 576 | 32.725065000      0.67193000000E-01 -0.44002000000E-01 -0.18912000000E-01  0.42640000000E-02 -0.13399000000E-01 -0.97930000000E-02 | 
|---|
|  | 577 | 15.667622000     -0.11560000000E-02 -0.51548300000     -0.30321600000      0.75628000000E-01  0.21198800000      0.35241100000 | 
|---|
|  | 578 | 7.5034828000      0.19320000000E-02 -0.50517300000     -0.45764200000      0.11887300000      0.16914300000      0.45508800000 | 
|---|
|  | 579 | 3.3122233000     -0.89200000000E-03 -0.92299000000E-01  0.12842100000     -0.41986000000E-01  0.74202000000E-01 -0.44621800000 | 
|---|
|  | 580 | 1.5584712000      0.38600000000E-03  0.24090000000E-02  0.71739300000     -0.24751200000      -1.1776270000      -2.1706560000 | 
|---|
|  | 581 | 0.68391370000     -0.15100000000E-03 -0.22620000000E-02  0.40355300000     -0.24921000000      0.47271400000       2.9960310000 | 
|---|
|  | 582 | 0.14675670000      0.56000000000E-04  0.46800000000E-03  0.23145000000E-01  0.34050100000       1.9969190000      -1.5690770000 | 
|---|
|  | 583 | 0.70583400000E-01 -0.44000000000E-04 -0.41800000000E-03 -0.55060000000E-02  0.56415100000      -1.4279300000     -0.19781300000 | 
|---|
|  | 584 | }) | 
|---|
|  | 585 | (type: [am = s] | 
|---|
|  | 586 | {exp coef:0} = { | 
|---|
|  | 587 | 0.31448900000E-01   1.0000000000 | 
|---|
|  | 588 | }) | 
|---|
|  | 589 | (type: [am = p am = p am = p am = p am = p] | 
|---|
|  | 590 | {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { | 
|---|
|  | 591 | 7721.4886000      0.17700000000E-03  0.64000000000E-04  0.21000000000E-04  0.44000000000E-04 -0.56000000000E-04 | 
|---|
|  | 592 | 1829.1258000      0.15510000000E-02  0.56000000000E-03  0.18500000000E-03  0.37800000000E-03 -0.51200000000E-03 | 
|---|
|  | 593 | 593.62795000      0.86400000000E-02  0.31430000000E-02  0.10300000000E-02  0.21520000000E-02 -0.27830000000E-02 | 
|---|
|  | 594 | 226.20536000      0.35486000000E-01  0.13061000000E-01  0.43160000000E-02  0.88440000000E-02 -0.12020000000E-01 | 
|---|
|  | 595 | 95.261454000      0.11081900000      0.42113000000E-01  0.13851000000E-01  0.29019000000E-01 -0.37310000000E-01 | 
|---|
|  | 596 | 42.859203000      0.25156900000      0.99493000000E-01  0.33173000000E-01  0.67781000000E-01 -0.93343000000E-01 | 
|---|
|  | 597 | 20.049713000      0.38167800000      0.16132600000      0.53729000000E-01  0.11576200000     -0.14637800000 | 
|---|
|  | 598 | 9.6208852000      0.30988400000      0.11461900000      0.39398000000E-01  0.88235000000E-01 -0.20230100000 | 
|---|
|  | 599 | 4.5413705000      0.87806000000E-01 -0.18126600000     -0.77469000000E-01 -0.19468000000      0.60337800000 | 
|---|
|  | 600 | 2.1135001000      0.37230000000E-02 -0.47535800000     -0.20036900000     -0.64732800000      0.92749700000 | 
|---|
|  | 601 | 0.94720080000      0.15140000000E-02 -0.40814600000     -0.19156800000      0.14405900000      -2.1152770000 | 
|---|
|  | 602 | 0.39124280000     -0.28500000000E-03 -0.10415400000      0.20775300000       1.2223770000      0.96412200000 | 
|---|
|  | 603 | 0.15648000000      0.21200000000E-03  0.10940000000E-02  0.68683300000     -0.44549100000      0.77169100000 | 
|---|
|  | 604 | 0.62592000000E-01 -0.95000000000E-04 -0.27330000000E-02  0.25894700000     -0.55779100000      -1.0407230000 | 
|---|
|  | 605 | }) | 
|---|
|  | 606 | (type: [am = p] | 
|---|
|  | 607 | {exp coef:0} = { | 
|---|
|  | 608 | 0.25037000000E-01   1.0000000000 | 
|---|
|  | 609 | }) | 
|---|
|  | 610 | (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1)] | 
|---|
|  | 611 | {exp coef:0 coef:1 coef:2 coef:3} = { | 
|---|
|  | 612 | 217.36883000     -0.91600000000E-03 -0.10010000000E-02 -0.14840000000E-02 -0.19790000000E-02 | 
|---|
|  | 613 | 64.999755000     -0.78140000000E-02 -0.85460000000E-02 -0.12905000000E-01 -0.17507000000E-01 | 
|---|
|  | 614 | 24.773137000     -0.35374000000E-01 -0.39091000000E-01 -0.59271000000E-01 -0.80747000000E-01 | 
|---|
|  | 615 | 10.436140000     -0.10769900000     -0.12162600000     -0.19560800000     -0.29347600000 | 
|---|
|  | 616 | 4.6796533000     -0.22522100000     -0.25567500000     -0.38106100000     -0.50129100000 | 
|---|
|  | 617 | 2.1256225000     -0.31689900000     -0.28371400000     -0.12378300000      0.70400800000 | 
|---|
|  | 618 | 0.94524210000     -0.32036400000     -0.22763000000E-01  0.63689900000      0.55890800000 | 
|---|
|  | 619 | 0.40268530000     -0.24689900000      0.41836900000      0.33680100000      -1.1456490000 | 
|---|
|  | 620 | 0.15665100000     -0.11607400000      0.47251400000     -0.60031800000      0.30974900000 | 
|---|
|  | 621 | 0.62660000000E-01 -0.14853000000E-01  0.11398500000     -0.26385200000      0.46195300000 | 
|---|
|  | 622 | }) | 
|---|
|  | 623 | (type: [(am = f puream = 1) (am = f puream = 1) (am = f puream = 1)] | 
|---|
|  | 624 | {exp coef:0 coef:1 coef:2} = { | 
|---|
|  | 625 | 16.997200000      0.13273000000E-01  0.27682000000E-01 -0.43420000000E-01 | 
|---|
|  | 626 | 6.7989000000      0.79455000000E-01  0.18919300000     -0.40868800000 | 
|---|
|  | 627 | 2.7196000000      0.29060300000      0.52249700000     -0.45547200000 | 
|---|
|  | 628 | 1.0878000000      0.46604500000      0.15059900000      0.82529900000 | 
|---|
|  | 629 | 0.43510000000      0.35516300000     -0.52695400000      0.43968000000E-01 | 
|---|
|  | 630 | 0.17410000000      0.12591000000     -0.37350000000     -0.68458600000 | 
|---|
|  | 631 | }) | 
|---|
|  | 632 | (type: [(am = g puream = 1) (am = g puream = 1)] | 
|---|
|  | 633 | {exp coef:0 coef:1} = { | 
|---|
|  | 634 | 8.1590000000      0.83660000000E-02  0.38731000000E-01 | 
|---|
|  | 635 | 3.2630000000      0.58110000000E-01  0.12781800000 | 
|---|
|  | 636 | 1.3050000000      0.10772000000      0.20599000000E-01 | 
|---|
|  | 637 | 0.52200000000      0.83876000000E-01 -0.15293100000 | 
|---|
|  | 638 | }) | 
|---|
|  | 639 | ] | 
|---|
|  | 640 | % | 
|---|
|  | 641 | % BASIS SET: (20s,15p,10d,6f) -> [7s,6p,4d,2f] | 
|---|
|  | 642 | nickel: "NASA Ames ANO": [ | 
|---|
|  | 643 | (type: [am = s am = s am = s am = s am = s am = s] | 
|---|
|  | 644 | {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = { | 
|---|
|  | 645 | 5048010.4000      0.90000000000E-05 -0.30000000000E-05  0.10000000000E-05             0.      0.24000000000E-04 -0.33000000000E-04 | 
|---|
|  | 646 | 755918.10000      0.67000000000E-04 -0.20000000000E-04  0.70000000000E-05 -0.20000000000E-05 -0.13000000000E-04  0.25700000000E-03 | 
|---|
|  | 647 | 172026.25000      0.35100000000E-03 -0.10800000000E-03  0.38000000000E-04 -0.90000000000E-05 -0.12000000000E-04 -0.17400000000E-03 | 
|---|
|  | 648 | 48724.572000      0.14800000000E-02 -0.45400000000E-03  0.16100000000E-03 -0.37000000000E-04 -0.74000000000E-04 -0.54000000000E-04 | 
|---|
|  | 649 | 15894.892000      0.53610000000E-02 -0.16510000000E-02  0.58700000000E-03 -0.13400000000E-03 -0.23700000000E-03 -0.51100000000E-03 | 
|---|
|  | 650 | 5737.4685000      0.17199000000E-01 -0.53460000000E-02  0.19040000000E-02 -0.43400000000E-03 -0.85300000000E-03 -0.14030000000E-02 | 
|---|
|  | 651 | 2237.0513000      0.49128000000E-01 -0.15642000000E-01  0.55800000000E-02 -0.12710000000E-02 -0.22550000000E-02 -0.43650000000E-02 | 
|---|
|  | 652 | 927.03020000      0.12216900000     -0.41001000000E-01  0.14753000000E-01 -0.33680000000E-02 -0.66460000000E-02 -0.11487000000E-01 | 
|---|
|  | 653 | 403.34615000      0.24811200000     -0.93397000000E-01  0.34036000000E-01 -0.77540000000E-02 -0.13576000000E-01 -0.25446000000E-01 | 
|---|
|  | 654 | 182.42816000      0.35826900000     -0.17041100000      0.64347000000E-01 -0.14750000000E-01 -0.30098000000E-01 -0.53304000000E-01 | 
|---|
|  | 655 | 84.589171000      0.27910300000     -0.19375300000      0.77112000000E-01 -0.17611000000E-01 -0.26883000000E-01 -0.51732000000E-01 | 
|---|
|  | 656 | 38.422931000      0.68284000000E-01  0.43614000000E-01 -0.18512000000E-01  0.39920000000E-02 -0.85890000000E-02 -0.11273000000E-01 | 
|---|
|  | 657 | 18.468791000     -0.11830000000E-02  0.51949200000     -0.30442000000      0.73074000000E-01  0.17589100000      0.31983800000 | 
|---|
|  | 658 | 8.8681903000      0.19140000000E-02  0.50372700000     -0.45125600000      0.11116700000      0.15967800000      0.39508500000 | 
|---|
|  | 659 | 3.9188697000     -0.87900000000E-03  0.91295000000E-01  0.14849400000     -0.44051000000E-01  0.25037000000E-01 -0.25472700000 | 
|---|
|  | 660 | 1.8398525000      0.37700000000E-03 -0.22250000000E-02  0.71338600000     -0.23242100000     -0.90786000000      -2.1265650000 | 
|---|
|  | 661 | 0.80466260000     -0.14500000000E-03  0.22260000000E-02  0.39793600000     -0.22763800000      0.26558700000       2.5157580000 | 
|---|
|  | 662 | 0.16984630000      0.51000000000E-04 -0.42900000000E-03  0.23123000000E-01  0.31142100000       1.6122490000     -0.21259900000 | 
|---|
|  | 663 | 0.79369900000E-01 -0.40000000000E-04  0.36300000000E-03 -0.93000000000E-02  0.54689700000     -0.61124300000      -1.7291540000 | 
|---|
|  | 664 | }) | 
|---|
|  | 665 | (type: [am = s] | 
|---|
|  | 666 | {exp coef:0} = { | 
|---|
|  | 667 | 0.34700200000E-01   1.0000000000 | 
|---|
|  | 668 | }) | 
|---|
|  | 669 | (type: [am = p am = p am = p am = p am = p] | 
|---|
|  | 670 | {exp coef:0 coef:1 coef:2 coef:3 coef:4} = { | 
|---|
|  | 671 | 9148.7958000      0.17400000000E-03 -0.62000000000E-04  0.30000000000E-04 -0.66300000000E-03  0.12770000000E-02 | 
|---|
|  | 672 | 2167.1706000      0.15270000000E-02 -0.54600000000E-03  0.20300000000E-03  0.79600000000E-03 -0.65500000000E-02 | 
|---|
|  | 673 | 703.38566000      0.85220000000E-02 -0.30730000000E-02  0.13380000000E-02  0.17760000000E-02  0.63860000000E-02 | 
|---|
|  | 674 | 268.13423000      0.35142000000E-01 -0.12827000000E-01  0.51270000000E-02  0.10821000000E-01  0.12148000000E-01 | 
|---|
|  | 675 | 113.00781000      0.11027100000     -0.41614000000E-01  0.17388000000E-01  0.29062000000E-01  0.39683000000E-01 | 
|---|
|  | 676 | 50.913395000      0.25173700000     -0.99134000000E-01  0.40915000000E-01  0.76994000000E-01  0.10718500000 | 
|---|
|  | 677 | 23.877402000      0.38250200000     -0.16134000000      0.68018000000E-01  0.12273100000      0.14423000000 | 
|---|
|  | 678 | 11.489237000      0.30888200000     -0.11079300000      0.47733000000E-01  0.10481000000      0.25900200000 | 
|---|
|  | 679 | 5.4368839000      0.87167000000E-01  0.18946500000     -0.10384600000     -0.25975900000     -0.87239000000 | 
|---|
|  | 680 | 2.5338366000      0.39480000000E-02  0.47535000000     -0.27162600000     -0.68969800000     -0.55781100000 | 
|---|
|  | 681 | 1.1353088000      0.15980000000E-02  0.40149700000     -0.14975400000      0.36884200000       2.0283200000 | 
|---|
|  | 682 | 0.46789110000     -0.22600000000E-03  0.10557200000      0.31790600000       1.0654880000      -1.2357980000 | 
|---|
|  | 683 | 0.18720000000      0.21700000000E-03 -0.37800000000E-03  0.61633900000     -0.53448100000     -0.47656700000 | 
|---|
|  | 684 | 0.74900000000E-01 -0.90000000000E-04  0.27960000000E-02  0.22764800000     -0.50112000000      0.89679400000 | 
|---|
|  | 685 | }) | 
|---|
|  | 686 | (type: [am = p] | 
|---|
|  | 687 | {exp coef:0} = { | 
|---|
|  | 688 | 0.29900000000E-01   1.0000000000 | 
|---|
|  | 689 | }) | 
|---|
|  | 690 | (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1)] | 
|---|
|  | 691 | {exp coef:0 coef:1 coef:2 coef:3} = { | 
|---|
|  | 692 | 258.86666000      0.94600000000E-03 -0.96000000000E-03 -0.13470000000E-02  0.20000000000E-02 | 
|---|
|  | 693 | 77.496041000      0.81190000000E-02 -0.82760000000E-02 -0.11970000000E-01  0.16789000000E-01 | 
|---|
|  | 694 | 29.589718000      0.37044000000E-01 -0.38053000000E-01 -0.55013000000E-01  0.77436000000E-01 | 
|---|
|  | 695 | 12.515275000      0.11243600000     -0.11804400000     -0.17808900000      0.28253100000 | 
|---|
|  | 696 | 5.6244675000      0.22963600000     -0.24187800000     -0.35378200000      0.47987500000 | 
|---|
|  | 697 | 2.5513029000      0.31349000000     -0.25746800000     -0.15469500000     -0.55220800000 | 
|---|
|  | 698 | 1.1280597000      0.30928100000     -0.35377000000E-01  0.50643500000     -0.64412800000 | 
|---|
|  | 699 | 0.47537300000      0.24452900000      0.33063400000      0.44804400000      0.83202800000 | 
|---|
|  | 700 | 0.18212780000      0.13214900000      0.46444500000     -0.36294300000      0.22473900000 | 
|---|
|  | 701 | 0.72900000000E-01  0.33888000000E-01  0.24491200000     -0.47517700000     -0.68185000000 | 
|---|
|  | 702 | }) | 
|---|
|  | 703 | (type: [(am = f puream = 1) (am = f puream = 1)] | 
|---|
|  | 704 | {exp coef:0 coef:1} = { | 
|---|
|  | 705 | 19.764200000      0.17112000000E-01  0.34643000000E-01 | 
|---|
|  | 706 | 7.9057000000      0.98203000000E-01  0.25150000000 | 
|---|
|  | 707 | 3.1622000000      0.33737900000      0.55664100000 | 
|---|
|  | 708 | 1.2649000000      0.47579700000     -0.32855000000E-01 | 
|---|
|  | 709 | 0.50600000000      0.30432400000     -0.54521000000 | 
|---|
|  | 710 | 0.20240000000      0.95371000000E-01 -0.27656100000 | 
|---|
|  | 711 | }) | 
|---|
|  | 712 | ] | 
|---|
|  | 713 | ) | 
|---|