| [0b990d] | 1 | %BASIS "aug-cc-pV6Z" CARTESIAN | 
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|  | 2 | basis:( | 
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|  | 3 | %Elements                             References | 
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|  | 4 | %--------                             ---------- | 
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|  | 5 | %H:         K.A. Peterson, D.E. Woon and T. H. Dunning, Jr., (to be published). | 
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|  | 6 | %B - Ne:    A. K. Wilson, T. v. Mourik and T. H. Dunning, Jr., J. Mol. Struct. | 
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|  | 7 | %           (THEOCHEM) 388, 339 (1997). | 
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|  | 8 | %Elements                             References | 
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|  | 9 | %--------                             --------- | 
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|  | 10 | %H    :  K.A. Peterson, D.E. Woon (unpublished) | 
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|  | 11 | %B - O:  A.K. Wilson, T. van Mourik and T.H. Dunning, Jr. J. Mol. Struct. | 
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|  | 12 | %        (THEOCHEM) 388, 339 (1997). | 
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|  | 13 | %Cl: | 
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|  | 14 | % | 
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|  | 15 | % | 
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|  | 16 | % BASIS SET: (10s,5p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h] | 
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|  | 17 | % AUGMENTING FUNCTIONS: (1s,1p,1d,1f,1g,1h) | 
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|  | 18 | hydrogen: "aug-cc-pV6Z": [ | 
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|  | 19 | (type: [am = s] | 
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|  | 20 | {exp coef:0} = { | 
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|  | 21 | 1776.7755600      0.44000000000E-04 | 
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|  | 22 | 254.01771200      0.37200000000E-03 | 
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|  | 23 | 54.698039000      0.20940000000E-02 | 
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|  | 24 | 15.018344000      0.88630000000E-02 | 
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|  | 25 | 4.9150780000      0.30540000000E-01 | 
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|  | 26 | }) | 
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|  | 27 | (type: [am = s] | 
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|  | 28 | {exp coef:0} = { | 
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|  | 29 | 1.7949240000       1.0000000000 | 
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|  | 30 | }) | 
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|  | 31 | (type: [am = s] | 
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|  | 32 | {exp coef:0} = { | 
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|  | 33 | 0.71071600000       1.0000000000 | 
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|  | 34 | }) | 
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|  | 35 | (type: [am = s] | 
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|  | 36 | {exp coef:0} = { | 
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|  | 37 | 0.30480200000       1.0000000000 | 
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|  | 38 | }) | 
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|  | 39 | (type: [am = s] | 
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|  | 40 | {exp coef:0} = { | 
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|  | 41 | 0.13804600000       1.0000000000 | 
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|  | 42 | }) | 
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|  | 43 | (type: [am = s] | 
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|  | 44 | {exp coef:0} = { | 
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|  | 45 | 0.62157000000E-01   1.0000000000 | 
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|  | 46 | }) | 
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|  | 47 | (type: [am = s] | 
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|  | 48 | {exp coef:0} = { | 
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|  | 49 | 0.18900000000E-01   1.0000000000 | 
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|  | 50 | }) | 
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|  | 51 | (type: [am = p] | 
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|  | 52 | {exp coef:0} = { | 
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|  | 53 | 8.6490000000       1.0000000000 | 
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|  | 54 | }) | 
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|  | 55 | (type: [am = p] | 
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|  | 56 | {exp coef:0} = { | 
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|  | 57 | 3.4300000000       1.0000000000 | 
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|  | 58 | }) | 
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|  | 59 | (type: [am = p] | 
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|  | 60 | {exp coef:0} = { | 
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|  | 61 | 1.3600000000       1.0000000000 | 
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|  | 62 | }) | 
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|  | 63 | (type: [am = p] | 
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|  | 64 | {exp coef:0} = { | 
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|  | 65 | 0.53900000000       1.0000000000 | 
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|  | 66 | }) | 
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|  | 67 | (type: [am = p] | 
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|  | 68 | {exp coef:0} = { | 
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|  | 69 | 0.21400000000       1.0000000000 | 
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|  | 70 | }) | 
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|  | 71 | (type: [am = p] | 
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|  | 72 | {exp coef:0} = { | 
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|  | 73 | 0.67000000000E-01   1.0000000000 | 
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|  | 74 | }) | 
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|  | 75 | (type: [(am = d puream = 1)] | 
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|  | 76 | {exp coef:0} = { | 
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|  | 77 | 4.4530000000       1.0000000000 | 
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|  | 78 | }) | 
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|  | 79 | (type: [(am = d puream = 1)] | 
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|  | 80 | {exp coef:0} = { | 
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|  | 81 | 1.9580000000       1.0000000000 | 
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|  | 82 | }) | 
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|  | 83 | (type: [(am = d puream = 1)] | 
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|  | 84 | {exp coef:0} = { | 
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|  | 85 | 0.86100000000       1.0000000000 | 
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|  | 86 | }) | 
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|  | 87 | (type: [(am = d puream = 1)] | 
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|  | 88 | {exp coef:0} = { | 
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|  | 89 | 0.37800000000       1.0000000000 | 
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|  | 90 | }) | 
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|  | 91 | (type: [(am = d puream = 1)] | 
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|  | 92 | {exp coef:0} = { | 
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|  | 93 | 0.12600000000       1.0000000000 | 
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|  | 94 | }) | 
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|  | 95 | (type: [(am = f puream = 1)] | 
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|  | 96 | {exp coef:0} = { | 
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|  | 97 | 4.1000000000       1.0000000000 | 
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|  | 98 | }) | 
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|  | 99 | (type: [(am = f puream = 1)] | 
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|  | 100 | {exp coef:0} = { | 
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|  | 101 | 1.7800000000       1.0000000000 | 
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|  | 102 | }) | 
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|  | 103 | (type: [(am = f puream = 1)] | 
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|  | 104 | {exp coef:0} = { | 
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|  | 105 | 0.77300000000       1.0000000000 | 
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|  | 106 | }) | 
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|  | 107 | (type: [(am = f puream = 1)] | 
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|  | 108 | {exp coef:0} = { | 
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|  | 109 | 0.24500000000       1.0000000000 | 
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|  | 110 | }) | 
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|  | 111 | (type: [(am = g puream = 1)] | 
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|  | 112 | {exp coef:0} = { | 
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|  | 113 | 3.1990000000       1.0000000000 | 
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|  | 114 | }) | 
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|  | 115 | (type: [(am = g puream = 1)] | 
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|  | 116 | {exp coef:0} = { | 
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|  | 117 | 1.3260000000       1.0000000000 | 
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|  | 118 | }) | 
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|  | 119 | (type: [(am = g puream = 1)] | 
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|  | 120 | {exp coef:0} = { | 
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|  | 121 | 0.40700000000       1.0000000000 | 
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|  | 122 | }) | 
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|  | 123 | (type: [(am = h puream = 1)] | 
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|  | 124 | {exp coef:0} = { | 
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|  | 125 | 2.6530000000       1.0000000000 | 
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|  | 126 | }) | 
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|  | 127 | (type: [(am = h puream = 1)] | 
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|  | 128 | {exp coef:0} = { | 
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|  | 129 | 0.68200000000       1.0000000000 | 
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|  | 130 | }) | 
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|  | 131 | ] | 
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|  | 132 | % | 
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|  | 133 | % BASIS SET: (10s,5p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h] | 
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|  | 134 | % AUGMENTING FUNCTIONS: (1s,1p,1d,1f,1g,1h) | 
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|  | 135 | helium: "aug-cc-pV6Z": [ | 
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|  | 136 | (type: [am = s] | 
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|  | 137 | {exp coef:0} = { | 
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|  | 138 | 4785.0000000      0.60000000000E-06 | 
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|  | 139 | 717.00000000      0.47000000000E-05 | 
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|  | 140 | 163.20000000      0.24400000000E-04 | 
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|  | 141 | 46.260000000      0.10120000000E-03 | 
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|  | 142 | 15.100000000      0.34860000000E-03 | 
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|  | 143 | }) | 
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|  | 144 | (type: [am = s] | 
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|  | 145 | {exp coef:0} = { | 
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|  | 146 | 5.4370000000       1.0000000000 | 
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|  | 147 | }) | 
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|  | 148 | (type: [am = s] | 
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|  | 149 | {exp coef:0} = { | 
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|  | 150 | 2.0880000000       1.0000000000 | 
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|  | 151 | }) | 
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|  | 152 | (type: [am = s] | 
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|  | 153 | {exp coef:0} = { | 
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|  | 154 | 0.82970000000       1.0000000000 | 
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|  | 155 | }) | 
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|  | 156 | (type: [am = s] | 
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|  | 157 | {exp coef:0} = { | 
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|  | 158 | 0.33660000000       1.0000000000 | 
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|  | 159 | }) | 
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|  | 160 | (type: [am = s] | 
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|  | 161 | {exp coef:0} = { | 
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|  | 162 | 0.13690000000       1.0000000000 | 
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|  | 163 | }) | 
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|  | 164 | (type: [am = s] | 
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|  | 165 | {exp coef:0} = { | 
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|  | 166 | 0.44730000000E-01   1.0000000000 | 
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|  | 167 | }) | 
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|  | 168 | (type: [am = p] | 
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|  | 169 | {exp coef:0} = { | 
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|  | 170 | 0.38700000000       1.0000000000 | 
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|  | 171 | }) | 
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|  | 172 | (type: [am = p] | 
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|  | 173 | {exp coef:0} = { | 
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|  | 174 | 0.98400000000       1.0000000000 | 
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|  | 175 | }) | 
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|  | 176 | (type: [am = p] | 
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|  | 177 | {exp coef:0} = { | 
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|  | 178 | 2.4980000000       1.0000000000 | 
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|  | 179 | }) | 
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|  | 180 | (type: [am = p] | 
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|  | 181 | {exp coef:0} = { | 
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|  | 182 | 6.3420000000       1.0000000000 | 
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|  | 183 | }) | 
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|  | 184 | (type: [am = p] | 
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|  | 185 | {exp coef:0} = { | 
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|  | 186 | 16.104000000       1.0000000000 | 
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|  | 187 | }) | 
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|  | 188 | (type: [am = p] | 
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|  | 189 | {exp coef:0} = { | 
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|  | 190 | 0.12800000000       1.0000000000 | 
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|  | 191 | }) | 
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|  | 192 | (type: [(am = d puream = 1)] | 
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|  | 193 | {exp coef:0} = { | 
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|  | 194 | 0.74700000000       1.0000000000 | 
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|  | 195 | }) | 
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|  | 196 | (type: [(am = d puream = 1)] | 
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|  | 197 | {exp coef:0} = { | 
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|  | 198 | 1.9100000000       1.0000000000 | 
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|  | 199 | }) | 
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|  | 200 | (type: [(am = d puream = 1)] | 
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|  | 201 | {exp coef:0} = { | 
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|  | 202 | 4.8860000000       1.0000000000 | 
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|  | 203 | }) | 
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|  | 204 | (type: [(am = d puream = 1)] | 
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|  | 205 | {exp coef:0} = { | 
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|  | 206 | 12.498000000       1.0000000000 | 
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|  | 207 | }) | 
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|  | 208 | (type: [(am = d puream = 1)] | 
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|  | 209 | {exp coef:0} = { | 
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|  | 210 | 0.24100000000       1.0000000000 | 
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|  | 211 | }) | 
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|  | 212 | (type: [(am = f puream = 1)] | 
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|  | 213 | {exp coef:0} = { | 
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|  | 214 | 1.2920000000       1.0000000000 | 
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|  | 215 | }) | 
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|  | 216 | (type: [(am = f puream = 1)] | 
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|  | 217 | {exp coef:0} = { | 
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|  | 218 | 3.4620000000       1.0000000000 | 
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|  | 219 | }) | 
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|  | 220 | (type: [(am = f puream = 1)] | 
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|  | 221 | {exp coef:0} = { | 
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|  | 222 | 9.2760000000       1.0000000000 | 
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|  | 223 | }) | 
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|  | 224 | (type: [(am = f puream = 1)] | 
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|  | 225 | {exp coef:0} = { | 
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|  | 226 | 0.40700000000       1.0000000000 | 
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|  | 227 | }) | 
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|  | 228 | (type: [(am = g puream = 1)] | 
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|  | 229 | {exp coef:0} = { | 
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|  | 230 | 2.2360000000       1.0000000000 | 
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|  | 231 | }) | 
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|  | 232 | (type: [(am = g puream = 1)] | 
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|  | 233 | {exp coef:0} = { | 
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|  | 234 | 6.5860000000       1.0000000000 | 
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|  | 235 | }) | 
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|  | 236 | (type: [(am = g puream = 1)] | 
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|  | 237 | {exp coef:0} = { | 
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|  | 238 | 0.68600000000       1.0000000000 | 
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|  | 239 | }) | 
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|  | 240 | (type: [(am = h puream = 1)] | 
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|  | 241 | {exp coef:0} = { | 
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|  | 242 | 4.1590000000       1.0000000000 | 
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|  | 243 | }) | 
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|  | 244 | (type: [(am = h puream = 1)] | 
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|  | 245 | {exp coef:0} = { | 
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|  | 246 | 1.0160000000       1.0000000000 | 
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|  | 247 | }) | 
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|  | 248 | ] | 
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|  | 249 | % | 
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|  | 250 | % BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i] | 
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|  | 251 | % AUGMENTING FUNCTIONS: (1s,1p,1d,1f,1g,1h,1i) | 
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|  | 252 | boron: "aug-cc-pV6Z": [ | 
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|  | 253 | (type: [am = s am = s] | 
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|  | 254 | {exp coef:0 coef:1} = { | 
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|  | 255 | 210400.00000      0.58300000000E-05 -0.11800000000E-05 | 
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|  | 256 | 31500.000000      0.45320000000E-04 -0.91500000000E-05 | 
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|  | 257 | 7169.0000000      0.23838000000E-03 -0.48190000000E-04 | 
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|  | 258 | 2030.0000000      0.10057000000E-02 -0.20306000000E-03 | 
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|  | 259 | 662.50000000      0.36449600000E-02 -0.73917000000E-03 | 
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|  | 260 | 239.20000000      0.11736280000E-01 -0.23860300000E-02 | 
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|  | 261 | 93.260000000      0.33807020000E-01 -0.69865400000E-02 | 
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|  | 262 | 38.640000000      0.85565930000E-01 -0.18115940000E-01 | 
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|  | 263 | 16.780000000      0.18260322000     -0.41231290000E-01 | 
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|  | 264 | 7.5410000000      0.30583760000     -0.77813530000E-01 | 
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|  | 265 | 3.4820000000      0.34080347000     -0.12123181000 | 
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|  | 266 | }) | 
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|  | 267 | (type: [am = s] | 
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|  | 268 | {exp coef:0} = { | 
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|  | 269 | 1.6180000000       1.0000000000 | 
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|  | 270 | }) | 
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|  | 271 | (type: [am = s] | 
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|  | 272 | {exp coef:0} = { | 
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|  | 273 | 0.62700000000       1.0000000000 | 
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|  | 274 | }) | 
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|  | 275 | (type: [am = s] | 
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|  | 276 | {exp coef:0} = { | 
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|  | 277 | 0.29340000000       1.0000000000 | 
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|  | 278 | }) | 
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|  | 279 | (type: [am = s] | 
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|  | 280 | {exp coef:0} = { | 
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|  | 281 | 0.13100000000       1.0000000000 | 
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|  | 282 | }) | 
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|  | 283 | (type: [am = s] | 
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|  | 284 | {exp coef:0} = { | 
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|  | 285 | 0.58150000000E-01   1.0000000000 | 
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|  | 286 | }) | 
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|  | 287 | (type: [am = s] | 
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|  | 288 | {exp coef:0} = { | 
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|  | 289 | 0.23000000000E-01   1.0000000000 | 
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|  | 290 | }) | 
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|  | 291 | (type: [am = p] | 
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|  | 292 | {exp coef:0} = { | 
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|  | 293 | 192.50000000      0.13490000000E-03 | 
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|  | 294 | 45.640000000      0.11474100000E-02 | 
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|  | 295 | 14.750000000      0.58479300000E-02 | 
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|  | 296 | 5.5030000000      0.21170910000E-01 | 
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|  | 297 | 2.2220000000      0.62668720000E-01 | 
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|  | 298 | }) | 
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|  | 299 | (type: [am = p] | 
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|  | 300 | {exp coef:0} = { | 
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|  | 301 | 0.95900000000       1.0000000000 | 
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|  | 302 | }) | 
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|  | 303 | (type: [am = p] | 
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|  | 304 | {exp coef:0} = { | 
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|  | 305 | 0.43140000000       1.0000000000 | 
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|  | 306 | }) | 
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|  | 307 | (type: [am = p] | 
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|  | 308 | {exp coef:0} = { | 
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|  | 309 | 0.19690000000       1.0000000000 | 
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|  | 310 | }) | 
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|  | 311 | (type: [am = p] | 
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|  | 312 | {exp coef:0} = { | 
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|  | 313 | 0.90330000000E-01   1.0000000000 | 
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|  | 314 | }) | 
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|  | 315 | (type: [am = p] | 
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|  | 316 | {exp coef:0} = { | 
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|  | 317 | 0.40660000000E-01   1.0000000000 | 
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|  | 318 | }) | 
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|  | 319 | (type: [am = p] | 
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|  | 320 | {exp coef:0} = { | 
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|  | 321 | 0.13650000000E-01   1.0000000000 | 
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|  | 322 | }) | 
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|  | 323 | (type: [(am = d puream = 1)] | 
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|  | 324 | {exp coef:0} = { | 
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|  | 325 | 2.8860000000       1.0000000000 | 
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|  | 326 | }) | 
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|  | 327 | (type: [(am = d puream = 1)] | 
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|  | 328 | {exp coef:0} = { | 
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|  | 329 | 1.2670000000       1.0000000000 | 
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|  | 330 | }) | 
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|  | 331 | (type: [(am = d puream = 1)] | 
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|  | 332 | {exp coef:0} = { | 
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|  | 333 | 0.55600000000       1.0000000000 | 
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|  | 334 | }) | 
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|  | 335 | (type: [(am = d puream = 1)] | 
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|  | 336 | {exp coef:0} = { | 
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|  | 337 | 0.24400000000       1.0000000000 | 
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|  | 338 | }) | 
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|  | 339 | (type: [(am = d puream = 1)] | 
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|  | 340 | {exp coef:0} = { | 
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|  | 341 | 0.10700000000       1.0000000000 | 
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|  | 342 | }) | 
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|  | 343 | (type: [(am = d puream = 1)] | 
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|  | 344 | {exp coef:0} = { | 
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|  | 345 | 0.39200000000E-01   1.0000000000 | 
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|  | 346 | }) | 
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|  | 347 | (type: [(am = f puream = 1)] | 
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|  | 348 | {exp coef:0} = { | 
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|  | 349 | 1.6510000000       1.0000000000 | 
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|  | 350 | }) | 
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|  | 351 | (type: [(am = f puream = 1)] | 
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|  | 352 | {exp coef:0} = { | 
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|  | 353 | 0.80020000000       1.0000000000 | 
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|  | 354 | }) | 
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|  | 355 | (type: [(am = f puream = 1)] | 
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|  | 356 | {exp coef:0} = { | 
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|  | 357 | 0.38780000000       1.0000000000 | 
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|  | 358 | }) | 
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|  | 359 | (type: [(am = f puream = 1)] | 
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|  | 360 | {exp coef:0} = { | 
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|  | 361 | 0.18800000000       1.0000000000 | 
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|  | 362 | }) | 
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|  | 363 | (type: [(am = f puream = 1)] | 
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|  | 364 | {exp coef:0} = { | 
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|  | 365 | 0.73300000000E-01   1.0000000000 | 
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|  | 366 | }) | 
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|  | 367 | (type: [(am = g puream = 1)] | 
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|  | 368 | {exp coef:0} = { | 
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|  | 369 | 1.6469000000       1.0000000000 | 
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|  | 370 | }) | 
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|  | 371 | (type: [(am = g puream = 1)] | 
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|  | 372 | {exp coef:0} = { | 
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|  | 373 | 0.78890000000       1.0000000000 | 
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|  | 374 | }) | 
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|  | 375 | (type: [(am = g puream = 1)] | 
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|  | 376 | {exp coef:0} = { | 
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|  | 377 | 0.37790000000       1.0000000000 | 
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|  | 378 | }) | 
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|  | 379 | (type: [(am = g puream = 1)] | 
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|  | 380 | {exp coef:0} = { | 
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|  | 381 | 0.16200000000       1.0000000000 | 
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|  | 382 | }) | 
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|  | 383 | (type: [(am = h puream = 1)] | 
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|  | 384 | {exp coef:0} = { | 
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|  | 385 | 1.3120000000       1.0000000000 | 
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|  | 386 | }) | 
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|  | 387 | (type: [(am = h puream = 1)] | 
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|  | 388 | {exp coef:0} = { | 
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|  | 389 | 0.58060000000       1.0000000000 | 
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|  | 390 | }) | 
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|  | 391 | (type: [(am = h puream = 1)] | 
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|  | 392 | {exp coef:0} = { | 
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|  | 393 | 0.28800000000       1.0000000000 | 
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|  | 394 | }) | 
|---|
|  | 395 | (type: [(am = i puream = 1)] | 
|---|
|  | 396 | {exp coef:0} = { | 
|---|
|  | 397 | 0.98470000000       1.0000000000 | 
|---|
|  | 398 | }) | 
|---|
|  | 399 | (type: [(am = i puream = 1)] | 
|---|
|  | 400 | {exp coef:0} = { | 
|---|
|  | 401 | 0.50000000000       1.0000000000 | 
|---|
|  | 402 | }) | 
|---|
|  | 403 | ] | 
|---|
|  | 404 | % | 
|---|
|  | 405 | % BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i] | 
|---|
|  | 406 | % AUGMENTING FUNCTIONS: (1s,1p,1d,1f,1g,1h,1i) | 
|---|
|  | 407 | carbon: "aug-cc-pV6Z": [ | 
|---|
|  | 408 | (type: [am = s am = s] | 
|---|
|  | 409 | {exp coef:0 coef:1} = { | 
|---|
|  | 410 | 312100.00000      0.56700000000E-05 -0.12100000000E-05 | 
|---|
|  | 411 | 46740.000000      0.44100000000E-04 -0.93900000000E-05 | 
|---|
|  | 412 | 10640.000000      0.23190000000E-03 -0.49470000000E-04 | 
|---|
|  | 413 | 3013.0000000      0.97897000000E-03 -0.20857000000E-03 | 
|---|
|  | 414 | 982.80000000      0.35516300000E-02 -0.76015000000E-03 | 
|---|
|  | 415 | 354.80000000      0.11440610000E-01 -0.24546900000E-02 | 
|---|
|  | 416 | 138.40000000      0.32998550000E-01 -0.72015300000E-02 | 
|---|
|  | 417 | 57.350000000      0.84053470000E-01 -0.18807420000E-01 | 
|---|
|  | 418 | 24.920000000      0.18067613000     -0.43250010000E-01 | 
|---|
|  | 419 | 11.230000000      0.30491140000     -0.82597330000E-01 | 
|---|
|  | 420 | 5.2010000000      0.34141570000     -0.12857592000 | 
|---|
|  | 421 | }) | 
|---|
|  | 422 | (type: [am = s] | 
|---|
|  | 423 | {exp coef:0} = { | 
|---|
|  | 424 | 2.4260000000       1.0000000000 | 
|---|
|  | 425 | }) | 
|---|
|  | 426 | (type: [am = s] | 
|---|
|  | 427 | {exp coef:0} = { | 
|---|
|  | 428 | 0.96730000000       1.0000000000 | 
|---|
|  | 429 | }) | 
|---|
|  | 430 | (type: [am = s] | 
|---|
|  | 431 | {exp coef:0} = { | 
|---|
|  | 432 | 0.44560000000       1.0000000000 | 
|---|
|  | 433 | }) | 
|---|
|  | 434 | (type: [am = s] | 
|---|
|  | 435 | {exp coef:0} = { | 
|---|
|  | 436 | 0.19710000000       1.0000000000 | 
|---|
|  | 437 | }) | 
|---|
|  | 438 | (type: [am = s] | 
|---|
|  | 439 | {exp coef:0} = { | 
|---|
|  | 440 | 0.86350000000E-01   1.0000000000 | 
|---|
|  | 441 | }) | 
|---|
|  | 442 | (type: [am = s] | 
|---|
|  | 443 | {exp coef:0} = { | 
|---|
|  | 444 | 0.35400000000E-01   1.0000000000 | 
|---|
|  | 445 | }) | 
|---|
|  | 446 | (type: [am = p] | 
|---|
|  | 447 | {exp coef:0} = { | 
|---|
|  | 448 | 295.20000000      0.14249000000E-03 | 
|---|
|  | 449 | 69.980000000      0.12201000000E-02 | 
|---|
|  | 450 | 22.640000000      0.63369600000E-02 | 
|---|
|  | 451 | 8.4850000000      0.23518750000E-01 | 
|---|
|  | 452 | 3.4590000000      0.69904470000E-01 | 
|---|
|  | 453 | }) | 
|---|
|  | 454 | (type: [am = p] | 
|---|
|  | 455 | {exp coef:0} = { | 
|---|
|  | 456 | 1.5040000000       1.0000000000 | 
|---|
|  | 457 | }) | 
|---|
|  | 458 | (type: [am = p] | 
|---|
|  | 459 | {exp coef:0} = { | 
|---|
|  | 460 | 0.67830000000       1.0000000000 | 
|---|
|  | 461 | }) | 
|---|
|  | 462 | (type: [am = p] | 
|---|
|  | 463 | {exp coef:0} = { | 
|---|
|  | 464 | 0.30870000000       1.0000000000 | 
|---|
|  | 465 | }) | 
|---|
|  | 466 | (type: [am = p] | 
|---|
|  | 467 | {exp coef:0} = { | 
|---|
|  | 468 | 0.14000000000       1.0000000000 | 
|---|
|  | 469 | }) | 
|---|
|  | 470 | (type: [am = p] | 
|---|
|  | 471 | {exp coef:0} = { | 
|---|
|  | 472 | 0.61780000000E-01   1.0000000000 | 
|---|
|  | 473 | }) | 
|---|
|  | 474 | (type: [am = p] | 
|---|
|  | 475 | {exp coef:0} = { | 
|---|
|  | 476 | 0.23760000000E-01   1.0000000000 | 
|---|
|  | 477 | }) | 
|---|
|  | 478 | (type: [(am = d puream = 1)] | 
|---|
|  | 479 | {exp coef:0} = { | 
|---|
|  | 480 | 4.5420000000       1.0000000000 | 
|---|
|  | 481 | }) | 
|---|
|  | 482 | (type: [(am = d puream = 1)] | 
|---|
|  | 483 | {exp coef:0} = { | 
|---|
|  | 484 | 1.9790000000       1.0000000000 | 
|---|
|  | 485 | }) | 
|---|
|  | 486 | (type: [(am = d puream = 1)] | 
|---|
|  | 487 | {exp coef:0} = { | 
|---|
|  | 488 | 0.86210000000       1.0000000000 | 
|---|
|  | 489 | }) | 
|---|
|  | 490 | (type: [(am = d puream = 1)] | 
|---|
|  | 491 | {exp coef:0} = { | 
|---|
|  | 492 | 0.37560000000       1.0000000000 | 
|---|
|  | 493 | }) | 
|---|
|  | 494 | (type: [(am = d puream = 1)] | 
|---|
|  | 495 | {exp coef:0} = { | 
|---|
|  | 496 | 0.16360000000       1.0000000000 | 
|---|
|  | 497 | }) | 
|---|
|  | 498 | (type: [(am = d puream = 1)] | 
|---|
|  | 499 | {exp coef:0} = { | 
|---|
|  | 500 | 0.63600000000E-01   1.0000000000 | 
|---|
|  | 501 | }) | 
|---|
|  | 502 | (type: [(am = f puream = 1)] | 
|---|
|  | 503 | {exp coef:0} = { | 
|---|
|  | 504 | 2.6310000000       1.0000000000 | 
|---|
|  | 505 | }) | 
|---|
|  | 506 | (type: [(am = f puream = 1)] | 
|---|
|  | 507 | {exp coef:0} = { | 
|---|
|  | 508 | 1.2550000000       1.0000000000 | 
|---|
|  | 509 | }) | 
|---|
|  | 510 | (type: [(am = f puream = 1)] | 
|---|
|  | 511 | {exp coef:0} = { | 
|---|
|  | 512 | 0.59880000000       1.0000000000 | 
|---|
|  | 513 | }) | 
|---|
|  | 514 | (type: [(am = f puream = 1)] | 
|---|
|  | 515 | {exp coef:0} = { | 
|---|
|  | 516 | 0.28570000000       1.0000000000 | 
|---|
|  | 517 | }) | 
|---|
|  | 518 | (type: [(am = f puream = 1)] | 
|---|
|  | 519 | {exp coef:0} = { | 
|---|
|  | 520 | 0.11800000000       1.0000000000 | 
|---|
|  | 521 | }) | 
|---|
|  | 522 | (type: [(am = g puream = 1)] | 
|---|
|  | 523 | {exp coef:0} = { | 
|---|
|  | 524 | 2.6520000000       1.0000000000 | 
|---|
|  | 525 | }) | 
|---|
|  | 526 | (type: [(am = g puream = 1)] | 
|---|
|  | 527 | {exp coef:0} = { | 
|---|
|  | 528 | 1.2040000000       1.0000000000 | 
|---|
|  | 529 | }) | 
|---|
|  | 530 | (type: [(am = g puream = 1)] | 
|---|
|  | 531 | {exp coef:0} = { | 
|---|
|  | 532 | 0.54700000000       1.0000000000 | 
|---|
|  | 533 | }) | 
|---|
|  | 534 | (type: [(am = g puream = 1)] | 
|---|
|  | 535 | {exp coef:0} = { | 
|---|
|  | 536 | 0.25400000000       1.0000000000 | 
|---|
|  | 537 | }) | 
|---|
|  | 538 | (type: [(am = h puream = 1)] | 
|---|
|  | 539 | {exp coef:0} = { | 
|---|
|  | 540 | 2.0300000000       1.0000000000 | 
|---|
|  | 541 | }) | 
|---|
|  | 542 | (type: [(am = h puream = 1)] | 
|---|
|  | 543 | {exp coef:0} = { | 
|---|
|  | 544 | 0.85110000000       1.0000000000 | 
|---|
|  | 545 | }) | 
|---|
|  | 546 | (type: [(am = h puream = 1)] | 
|---|
|  | 547 | {exp coef:0} = { | 
|---|
|  | 548 | 0.45100000000       1.0000000000 | 
|---|
|  | 549 | }) | 
|---|
|  | 550 | (type: [(am = i puream = 1)] | 
|---|
|  | 551 | {exp coef:0} = { | 
|---|
|  | 552 | 1.4910000000       1.0000000000 | 
|---|
|  | 553 | }) | 
|---|
|  | 554 | (type: [(am = i puream = 1)] | 
|---|
|  | 555 | {exp coef:0} = { | 
|---|
|  | 556 | 0.77600000000       1.0000000000 | 
|---|
|  | 557 | }) | 
|---|
|  | 558 | ] | 
|---|
|  | 559 | % | 
|---|
|  | 560 | % BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i] | 
|---|
|  | 561 | % AUGMENTING FUNCTIONS: (1s,1p,1d,1f,1g,1h,1i) | 
|---|
|  | 562 | nitrogen: "aug-cc-pV6Z": [ | 
|---|
|  | 563 | (type: [am = s am = s] | 
|---|
|  | 564 | {exp coef:0 coef:1} = { | 
|---|
|  | 565 | 432300.00000      0.55900000000E-05 -0.12300000000E-05 | 
|---|
|  | 566 | 64700.000000      0.43510000000E-04 -0.95800000000E-05 | 
|---|
|  | 567 | 14720.000000      0.22893000000E-03 -0.50510000000E-04 | 
|---|
|  | 568 | 4170.0000000      0.96502000000E-03 -0.21264000000E-03 | 
|---|
|  | 569 | 1361.0000000      0.35021900000E-02 -0.77534000000E-03 | 
|---|
|  | 570 | 491.20000000      0.11292120000E-01 -0.25062400000E-02 | 
|---|
|  | 571 | 191.60000000      0.32612830000E-01 -0.73652900000E-02 | 
|---|
|  | 572 | 79.410000000      0.83297270000E-01 -0.19301670000E-01 | 
|---|
|  | 573 | 34.530000000      0.17998566000     -0.44717380000E-01 | 
|---|
|  | 574 | 15.580000000      0.30500351000     -0.86066470000E-01 | 
|---|
|  | 575 | 7.2320000000      0.34115932000     -0.13329627000 | 
|---|
|  | 576 | }) | 
|---|
|  | 577 | (type: [am = s] | 
|---|
|  | 578 | {exp coef:0} = { | 
|---|
|  | 579 | 3.3820000000       1.0000000000 | 
|---|
|  | 580 | }) | 
|---|
|  | 581 | (type: [am = s] | 
|---|
|  | 582 | {exp coef:0} = { | 
|---|
|  | 583 | 1.3690000000       1.0000000000 | 
|---|
|  | 584 | }) | 
|---|
|  | 585 | (type: [am = s] | 
|---|
|  | 586 | {exp coef:0} = { | 
|---|
|  | 587 | 0.62480000000       1.0000000000 | 
|---|
|  | 588 | }) | 
|---|
|  | 589 | (type: [am = s] | 
|---|
|  | 590 | {exp coef:0} = { | 
|---|
|  | 591 | 0.27470000000       1.0000000000 | 
|---|
|  | 592 | }) | 
|---|
|  | 593 | (type: [am = s] | 
|---|
|  | 594 | {exp coef:0} = { | 
|---|
|  | 595 | 0.11920000000       1.0000000000 | 
|---|
|  | 596 | }) | 
|---|
|  | 597 | (type: [am = s] | 
|---|
|  | 598 | {exp coef:0} = { | 
|---|
|  | 599 | 0.47140000000E-01   1.0000000000 | 
|---|
|  | 600 | }) | 
|---|
|  | 601 | (type: [am = p] | 
|---|
|  | 602 | {exp coef:0} = { | 
|---|
|  | 603 | 415.90000000      0.14841000000E-03 | 
|---|
|  | 604 | 98.610000000      0.12763400000E-02 | 
|---|
|  | 605 | 31.920000000      0.67024200000E-02 | 
|---|
|  | 606 | 12.000000000      0.25261700000E-01 | 
|---|
|  | 607 | 4.9190000000      0.75189430000E-01 | 
|---|
|  | 608 | }) | 
|---|
|  | 609 | (type: [am = p] | 
|---|
|  | 610 | {exp coef:0} = { | 
|---|
|  | 611 | 2.1480000000       1.0000000000 | 
|---|
|  | 612 | }) | 
|---|
|  | 613 | (type: [am = p] | 
|---|
|  | 614 | {exp coef:0} = { | 
|---|
|  | 615 | 0.96960000000       1.0000000000 | 
|---|
|  | 616 | }) | 
|---|
|  | 617 | (type: [am = p] | 
|---|
|  | 618 | {exp coef:0} = { | 
|---|
|  | 619 | 0.43990000000       1.0000000000 | 
|---|
|  | 620 | }) | 
|---|
|  | 621 | (type: [am = p] | 
|---|
|  | 622 | {exp coef:0} = { | 
|---|
|  | 623 | 0.19780000000       1.0000000000 | 
|---|
|  | 624 | }) | 
|---|
|  | 625 | (type: [am = p] | 
|---|
|  | 626 | {exp coef:0} = { | 
|---|
|  | 627 | 0.86030000000E-01   1.0000000000 | 
|---|
|  | 628 | }) | 
|---|
|  | 629 | (type: [am = p] | 
|---|
|  | 630 | {exp coef:0} = { | 
|---|
|  | 631 | 0.31500000000E-01   1.0000000000 | 
|---|
|  | 632 | }) | 
|---|
|  | 633 | (type: [(am = d puream = 1)] | 
|---|
|  | 634 | {exp coef:0} = { | 
|---|
|  | 635 | 6.7170000000       1.0000000000 | 
|---|
|  | 636 | }) | 
|---|
|  | 637 | (type: [(am = d puream = 1)] | 
|---|
|  | 638 | {exp coef:0} = { | 
|---|
|  | 639 | 2.8960000000       1.0000000000 | 
|---|
|  | 640 | }) | 
|---|
|  | 641 | (type: [(am = d puream = 1)] | 
|---|
|  | 642 | {exp coef:0} = { | 
|---|
|  | 643 | 1.2490000000       1.0000000000 | 
|---|
|  | 644 | }) | 
|---|
|  | 645 | (type: [(am = d puream = 1)] | 
|---|
|  | 646 | {exp coef:0} = { | 
|---|
|  | 647 | 0.53800000000       1.0000000000 | 
|---|
|  | 648 | }) | 
|---|
|  | 649 | (type: [(am = d puream = 1)] | 
|---|
|  | 650 | {exp coef:0} = { | 
|---|
|  | 651 | 0.23200000000       1.0000000000 | 
|---|
|  | 652 | }) | 
|---|
|  | 653 | (type: [(am = d puream = 1)] | 
|---|
|  | 654 | {exp coef:0} = { | 
|---|
|  | 655 | 0.87400000000E-01   1.0000000000 | 
|---|
|  | 656 | }) | 
|---|
|  | 657 | (type: [(am = f puream = 1)] | 
|---|
|  | 658 | {exp coef:0} = { | 
|---|
|  | 659 | 3.8290000000       1.0000000000 | 
|---|
|  | 660 | }) | 
|---|
|  | 661 | (type: [(am = f puream = 1)] | 
|---|
|  | 662 | {exp coef:0} = { | 
|---|
|  | 663 | 1.7950000000       1.0000000000 | 
|---|
|  | 664 | }) | 
|---|
|  | 665 | (type: [(am = f puream = 1)] | 
|---|
|  | 666 | {exp coef:0} = { | 
|---|
|  | 667 | 0.84100000000       1.0000000000 | 
|---|
|  | 668 | }) | 
|---|
|  | 669 | (type: [(am = f puream = 1)] | 
|---|
|  | 670 | {exp coef:0} = { | 
|---|
|  | 671 | 0.39400000000       1.0000000000 | 
|---|
|  | 672 | }) | 
|---|
|  | 673 | (type: [(am = f puream = 1)] | 
|---|
|  | 674 | {exp coef:0} = { | 
|---|
|  | 675 | 0.15100000000       1.0000000000 | 
|---|
|  | 676 | }) | 
|---|
|  | 677 | (type: [(am = g puream = 1)] | 
|---|
|  | 678 | {exp coef:0} = { | 
|---|
|  | 679 | 3.8560000000       1.0000000000 | 
|---|
|  | 680 | }) | 
|---|
|  | 681 | (type: [(am = g puream = 1)] | 
|---|
|  | 682 | {exp coef:0} = { | 
|---|
|  | 683 | 1.7020000000       1.0000000000 | 
|---|
|  | 684 | }) | 
|---|
|  | 685 | (type: [(am = g puream = 1)] | 
|---|
|  | 686 | {exp coef:0} = { | 
|---|
|  | 687 | 0.75100000000       1.0000000000 | 
|---|
|  | 688 | }) | 
|---|
|  | 689 | (type: [(am = g puream = 1)] | 
|---|
|  | 690 | {exp coef:0} = { | 
|---|
|  | 691 | 0.32600000000       1.0000000000 | 
|---|
|  | 692 | }) | 
|---|
|  | 693 | (type: [(am = h puream = 1)] | 
|---|
|  | 694 | {exp coef:0} = { | 
|---|
|  | 695 | 2.8750000000       1.0000000000 | 
|---|
|  | 696 | }) | 
|---|
|  | 697 | (type: [(am = h puream = 1)] | 
|---|
|  | 698 | {exp coef:0} = { | 
|---|
|  | 699 | 1.1700000000       1.0000000000 | 
|---|
|  | 700 | }) | 
|---|
|  | 701 | (type: [(am = h puream = 1)] | 
|---|
|  | 702 | {exp coef:0} = { | 
|---|
|  | 703 | 0.58700000000       1.0000000000 | 
|---|
|  | 704 | }) | 
|---|
|  | 705 | (type: [(am = i puream = 1)] | 
|---|
|  | 706 | {exp coef:0} = { | 
|---|
|  | 707 | 2.0990000000       1.0000000000 | 
|---|
|  | 708 | }) | 
|---|
|  | 709 | (type: [(am = i puream = 1)] | 
|---|
|  | 710 | {exp coef:0} = { | 
|---|
|  | 711 | 1.0410000000       1.0000000000 | 
|---|
|  | 712 | }) | 
|---|
|  | 713 | ] | 
|---|
|  | 714 | % | 
|---|
|  | 715 | % BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i] | 
|---|
|  | 716 | % AUGMENTING FUNCTIONS: (1s,1p,1d,1f,1g,1h,1i) | 
|---|
|  | 717 | oxygen: "aug-cc-pV6Z": [ | 
|---|
|  | 718 | (type: [am = s am = s] | 
|---|
|  | 719 | {exp coef:0 coef:1} = { | 
|---|
|  | 720 | 570800.00000      0.55500000000E-05 -0.12600000000E-05 | 
|---|
|  | 721 | 85480.000000      0.43110000000E-04 -0.97700000000E-05 | 
|---|
|  | 722 | 19460.000000      0.22667000000E-03 -0.51480000000E-04 | 
|---|
|  | 723 | 5512.0000000      0.95637000000E-03 -0.21696000000E-03 | 
|---|
|  | 724 | 1798.0000000      0.34732000000E-02 -0.79162000000E-03 | 
|---|
|  | 725 | 648.90000000      0.11197780000E-01 -0.25590000000E-02 | 
|---|
|  | 726 | 253.10000000      0.32387660000E-01 -0.75331300000E-02 | 
|---|
|  | 727 | 104.90000000      0.82859770000E-01 -0.19788970000E-01 | 
|---|
|  | 728 | 45.650000000      0.17958381000     -0.46062880000E-01 | 
|---|
|  | 729 | 20.620000000      0.30522110000     -0.89195600000E-01 | 
|---|
|  | 730 | 9.5870000000      0.34089349000     -0.13754216000 | 
|---|
|  | 731 | }) | 
|---|
|  | 732 | (type: [am = s] | 
|---|
|  | 733 | {exp coef:0} = { | 
|---|
|  | 734 | 4.4930000000       1.0000000000 | 
|---|
|  | 735 | }) | 
|---|
|  | 736 | (type: [am = s] | 
|---|
|  | 737 | {exp coef:0} = { | 
|---|
|  | 738 | 1.8370000000       1.0000000000 | 
|---|
|  | 739 | }) | 
|---|
|  | 740 | (type: [am = s] | 
|---|
|  | 741 | {exp coef:0} = { | 
|---|
|  | 742 | 0.83490000000       1.0000000000 | 
|---|
|  | 743 | }) | 
|---|
|  | 744 | (type: [am = s] | 
|---|
|  | 745 | {exp coef:0} = { | 
|---|
|  | 746 | 0.36580000000       1.0000000000 | 
|---|
|  | 747 | }) | 
|---|
|  | 748 | (type: [am = s] | 
|---|
|  | 749 | {exp coef:0} = { | 
|---|
|  | 750 | 0.15700000000       1.0000000000 | 
|---|
|  | 751 | }) | 
|---|
|  | 752 | (type: [am = s] | 
|---|
|  | 753 | {exp coef:0} = { | 
|---|
|  | 754 | 0.59350000000E-01   1.0000000000 | 
|---|
|  | 755 | }) | 
|---|
|  | 756 | (type: [am = p] | 
|---|
|  | 757 | {exp coef:0} = { | 
|---|
|  | 758 | 525.60000000      0.16664000000E-03 | 
|---|
|  | 759 | 124.60000000      0.14333600000E-02 | 
|---|
|  | 760 | 40.340000000      0.75476200000E-02 | 
|---|
|  | 761 | 15.180000000      0.28594560000E-01 | 
|---|
|  | 762 | 6.2450000000      0.84388580000E-01 | 
|---|
|  | 763 | }) | 
|---|
|  | 764 | (type: [am = p] | 
|---|
|  | 765 | {exp coef:0} = { | 
|---|
|  | 766 | 2.7320000000       1.0000000000 | 
|---|
|  | 767 | }) | 
|---|
|  | 768 | (type: [am = p] | 
|---|
|  | 769 | {exp coef:0} = { | 
|---|
|  | 770 | 1.2270000000       1.0000000000 | 
|---|
|  | 771 | }) | 
|---|
|  | 772 | (type: [am = p] | 
|---|
|  | 773 | {exp coef:0} = { | 
|---|
|  | 774 | 0.54920000000       1.0000000000 | 
|---|
|  | 775 | }) | 
|---|
|  | 776 | (type: [am = p] | 
|---|
|  | 777 | {exp coef:0} = { | 
|---|
|  | 778 | 0.24180000000       1.0000000000 | 
|---|
|  | 779 | }) | 
|---|
|  | 780 | (type: [am = p] | 
|---|
|  | 781 | {exp coef:0} = { | 
|---|
|  | 782 | 0.10250000000       1.0000000000 | 
|---|
|  | 783 | }) | 
|---|
|  | 784 | (type: [am = p] | 
|---|
|  | 785 | {exp coef:0} = { | 
|---|
|  | 786 | 0.33800000000E-01   1.0000000000 | 
|---|
|  | 787 | }) | 
|---|
|  | 788 | (type: [(am = d puream = 1)] | 
|---|
|  | 789 | {exp coef:0} = { | 
|---|
|  | 790 | 8.2530000000       1.0000000000 | 
|---|
|  | 791 | }) | 
|---|
|  | 792 | (type: [(am = d puream = 1)] | 
|---|
|  | 793 | {exp coef:0} = { | 
|---|
|  | 794 | 3.5970000000       1.0000000000 | 
|---|
|  | 795 | }) | 
|---|
|  | 796 | (type: [(am = d puream = 1)] | 
|---|
|  | 797 | {exp coef:0} = { | 
|---|
|  | 798 | 1.5680000000       1.0000000000 | 
|---|
|  | 799 | }) | 
|---|
|  | 800 | (type: [(am = d puream = 1)] | 
|---|
|  | 801 | {exp coef:0} = { | 
|---|
|  | 802 | 0.68400000000       1.0000000000 | 
|---|
|  | 803 | }) | 
|---|
|  | 804 | (type: [(am = d puream = 1)] | 
|---|
|  | 805 | {exp coef:0} = { | 
|---|
|  | 806 | 0.29800000000       1.0000000000 | 
|---|
|  | 807 | }) | 
|---|
|  | 808 | (type: [(am = d puream = 1)] | 
|---|
|  | 809 | {exp coef:0} = { | 
|---|
|  | 810 | 0.11500000000       1.0000000000 | 
|---|
|  | 811 | }) | 
|---|
|  | 812 | (type: [(am = f puream = 1)] | 
|---|
|  | 813 | {exp coef:0} = { | 
|---|
|  | 814 | 5.4300000000       1.0000000000 | 
|---|
|  | 815 | }) | 
|---|
|  | 816 | (type: [(am = f puream = 1)] | 
|---|
|  | 817 | {exp coef:0} = { | 
|---|
|  | 818 | 2.4160000000       1.0000000000 | 
|---|
|  | 819 | }) | 
|---|
|  | 820 | (type: [(am = f puream = 1)] | 
|---|
|  | 821 | {exp coef:0} = { | 
|---|
|  | 822 | 1.0750000000       1.0000000000 | 
|---|
|  | 823 | }) | 
|---|
|  | 824 | (type: [(am = f puream = 1)] | 
|---|
|  | 825 | {exp coef:0} = { | 
|---|
|  | 826 | 0.47800000000       1.0000000000 | 
|---|
|  | 827 | }) | 
|---|
|  | 828 | (type: [(am = f puream = 1)] | 
|---|
|  | 829 | {exp coef:0} = { | 
|---|
|  | 830 | 0.19500000000       1.0000000000 | 
|---|
|  | 831 | }) | 
|---|
|  | 832 | (type: [(am = g puream = 1)] | 
|---|
|  | 833 | {exp coef:0} = { | 
|---|
|  | 834 | 5.2110000000       1.0000000000 | 
|---|
|  | 835 | }) | 
|---|
|  | 836 | (type: [(am = g puream = 1)] | 
|---|
|  | 837 | {exp coef:0} = { | 
|---|
|  | 838 | 2.1900000000       1.0000000000 | 
|---|
|  | 839 | }) | 
|---|
|  | 840 | (type: [(am = g puream = 1)] | 
|---|
|  | 841 | {exp coef:0} = { | 
|---|
|  | 842 | 0.92000000000       1.0000000000 | 
|---|
|  | 843 | }) | 
|---|
|  | 844 | (type: [(am = g puream = 1)] | 
|---|
|  | 845 | {exp coef:0} = { | 
|---|
|  | 846 | 0.40600000000       1.0000000000 | 
|---|
|  | 847 | }) | 
|---|
|  | 848 | (type: [(am = h puream = 1)] | 
|---|
|  | 849 | {exp coef:0} = { | 
|---|
|  | 850 | 3.8720000000       1.0000000000 | 
|---|
|  | 851 | }) | 
|---|
|  | 852 | (type: [(am = h puream = 1)] | 
|---|
|  | 853 | {exp coef:0} = { | 
|---|
|  | 854 | 1.5050000000       1.0000000000 | 
|---|
|  | 855 | }) | 
|---|
|  | 856 | (type: [(am = h puream = 1)] | 
|---|
|  | 857 | {exp coef:0} = { | 
|---|
|  | 858 | 0.74800000000       1.0000000000 | 
|---|
|  | 859 | }) | 
|---|
|  | 860 | (type: [(am = i puream = 1)] | 
|---|
|  | 861 | {exp coef:0} = { | 
|---|
|  | 862 | 2.7730000000       1.0000000000 | 
|---|
|  | 863 | }) | 
|---|
|  | 864 | (type: [(am = i puream = 1)] | 
|---|
|  | 865 | {exp coef:0} = { | 
|---|
|  | 866 | 1.3450000000       1.0000000000 | 
|---|
|  | 867 | }) | 
|---|
|  | 868 | ] | 
|---|
|  | 869 | % | 
|---|
|  | 870 | % BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i] | 
|---|
|  | 871 | % AUGMENTING FUNCTIONS: (1s,1p,1d,1f,1g,1h,1i) | 
|---|
|  | 872 | fluorine: "aug-cc-pV6Z": [ | 
|---|
|  | 873 | (type: [am = s am = s] | 
|---|
|  | 874 | {exp coef:0 coef:1} = { | 
|---|
|  | 875 | 723500.00000      0.55600000000E-05 -0.12900000000E-05 | 
|---|
|  | 876 | 108400.00000      0.43180000000E-04 -0.99900000000E-05 | 
|---|
|  | 877 | 24680.000000      0.22700000000E-03 -0.52600000000E-04 | 
|---|
|  | 878 | 6990.0000000      0.95803000000E-03 -0.22172000000E-03 | 
|---|
|  | 879 | 2282.0000000      0.34701500000E-02 -0.80692000000E-03 | 
|---|
|  | 880 | 824.60000000      0.11185260000E-01 -0.26081700000E-02 | 
|---|
|  | 881 | 321.80000000      0.32328800000E-01 -0.76740200000E-02 | 
|---|
|  | 882 | 133.50000000      0.82795450000E-01 -0.20193530000E-01 | 
|---|
|  | 883 | 58.110000000      0.17988024000     -0.47187520000E-01 | 
|---|
|  | 884 | 26.280000000      0.30557831000     -0.91580090000E-01 | 
|---|
|  | 885 | 12.240000000      0.34026839000     -0.14048558000 | 
|---|
|  | 886 | }) | 
|---|
|  | 887 | (type: [am = s] | 
|---|
|  | 888 | {exp coef:0} = { | 
|---|
|  | 889 | 5.7470000000       1.0000000000 | 
|---|
|  | 890 | }) | 
|---|
|  | 891 | (type: [am = s] | 
|---|
|  | 892 | {exp coef:0} = { | 
|---|
|  | 893 | 2.3650000000       1.0000000000 | 
|---|
|  | 894 | }) | 
|---|
|  | 895 | (type: [am = s] | 
|---|
|  | 896 | {exp coef:0} = { | 
|---|
|  | 897 | 1.0710000000       1.0000000000 | 
|---|
|  | 898 | }) | 
|---|
|  | 899 | (type: [am = s] | 
|---|
|  | 900 | {exp coef:0} = { | 
|---|
|  | 901 | 0.46810000000       1.0000000000 | 
|---|
|  | 902 | }) | 
|---|
|  | 903 | (type: [am = s] | 
|---|
|  | 904 | {exp coef:0} = { | 
|---|
|  | 905 | 0.19940000000       1.0000000000 | 
|---|
|  | 906 | }) | 
|---|
|  | 907 | (type: [am = s] | 
|---|
|  | 908 | {exp coef:0} = { | 
|---|
|  | 909 | 0.73150000000E-01   1.0000000000 | 
|---|
|  | 910 | }) | 
|---|
|  | 911 | (type: [am = p] | 
|---|
|  | 912 | {exp coef:0} = { | 
|---|
|  | 913 | 660.00000000      0.17721000000E-03 | 
|---|
|  | 914 | 156.40000000      0.15269100000E-02 | 
|---|
|  | 915 | 50.640000000      0.80720700000E-02 | 
|---|
|  | 916 | 19.080000000      0.30740210000E-01 | 
|---|
|  | 917 | 7.8720000000      0.90119140000E-01 | 
|---|
|  | 918 | }) | 
|---|
|  | 919 | (type: [am = p] | 
|---|
|  | 920 | {exp coef:0} = { | 
|---|
|  | 921 | 3.4490000000       1.0000000000 | 
|---|
|  | 922 | }) | 
|---|
|  | 923 | (type: [am = p] | 
|---|
|  | 924 | {exp coef:0} = { | 
|---|
|  | 925 | 1.5450000000       1.0000000000 | 
|---|
|  | 926 | }) | 
|---|
|  | 927 | (type: [am = p] | 
|---|
|  | 928 | {exp coef:0} = { | 
|---|
|  | 929 | 0.68640000000       1.0000000000 | 
|---|
|  | 930 | }) | 
|---|
|  | 931 | (type: [am = p] | 
|---|
|  | 932 | {exp coef:0} = { | 
|---|
|  | 933 | 0.29860000000       1.0000000000 | 
|---|
|  | 934 | }) | 
|---|
|  | 935 | (type: [am = p] | 
|---|
|  | 936 | {exp coef:0} = { | 
|---|
|  | 937 | 0.12450000000       1.0000000000 | 
|---|
|  | 938 | }) | 
|---|
|  | 939 | (type: [am = p] | 
|---|
|  | 940 | {exp coef:0} = { | 
|---|
|  | 941 | 0.47600000000E-01   1.0000000000 | 
|---|
|  | 942 | }) | 
|---|
|  | 943 | (type: [(am = d puream = 1)] | 
|---|
|  | 944 | {exp coef:0} = { | 
|---|
|  | 945 | 10.573000000       1.0000000000 | 
|---|
|  | 946 | }) | 
|---|
|  | 947 | (type: [(am = d puream = 1)] | 
|---|
|  | 948 | {exp coef:0} = { | 
|---|
|  | 949 | 4.6130000000       1.0000000000 | 
|---|
|  | 950 | }) | 
|---|
|  | 951 | (type: [(am = d puream = 1)] | 
|---|
|  | 952 | {exp coef:0} = { | 
|---|
|  | 953 | 2.0130000000       1.0000000000 | 
|---|
|  | 954 | }) | 
|---|
|  | 955 | (type: [(am = d puream = 1)] | 
|---|
|  | 956 | {exp coef:0} = { | 
|---|
|  | 957 | 0.87800000000       1.0000000000 | 
|---|
|  | 958 | }) | 
|---|
|  | 959 | (type: [(am = d puream = 1)] | 
|---|
|  | 960 | {exp coef:0} = { | 
|---|
|  | 961 | 0.38300000000       1.0000000000 | 
|---|
|  | 962 | }) | 
|---|
|  | 963 | (type: [(am = d puream = 1)] | 
|---|
|  | 964 | {exp coef:0} = { | 
|---|
|  | 965 | 0.15100000000       1.0000000000 | 
|---|
|  | 966 | }) | 
|---|
|  | 967 | (type: [(am = f puream = 1)] | 
|---|
|  | 968 | {exp coef:0} = { | 
|---|
|  | 969 | 7.5630000000       1.0000000000 | 
|---|
|  | 970 | }) | 
|---|
|  | 971 | (type: [(am = f puream = 1)] | 
|---|
|  | 972 | {exp coef:0} = { | 
|---|
|  | 973 | 3.3300000000       1.0000000000 | 
|---|
|  | 974 | }) | 
|---|
|  | 975 | (type: [(am = f puream = 1)] | 
|---|
|  | 976 | {exp coef:0} = { | 
|---|
|  | 977 | 1.4660000000       1.0000000000 | 
|---|
|  | 978 | }) | 
|---|
|  | 979 | (type: [(am = f puream = 1)] | 
|---|
|  | 980 | {exp coef:0} = { | 
|---|
|  | 981 | 0.64500000000       1.0000000000 | 
|---|
|  | 982 | }) | 
|---|
|  | 983 | (type: [(am = f puream = 1)] | 
|---|
|  | 984 | {exp coef:0} = { | 
|---|
|  | 985 | 0.27200000000       1.0000000000 | 
|---|
|  | 986 | }) | 
|---|
|  | 987 | (type: [(am = g puream = 1)] | 
|---|
|  | 988 | {exp coef:0} = { | 
|---|
|  | 989 | 6.7350000000       1.0000000000 | 
|---|
|  | 990 | }) | 
|---|
|  | 991 | (type: [(am = g puream = 1)] | 
|---|
|  | 992 | {exp coef:0} = { | 
|---|
|  | 993 | 2.7830000000       1.0000000000 | 
|---|
|  | 994 | }) | 
|---|
|  | 995 | (type: [(am = g puream = 1)] | 
|---|
|  | 996 | {exp coef:0} = { | 
|---|
|  | 997 | 1.1500000000       1.0000000000 | 
|---|
|  | 998 | }) | 
|---|
|  | 999 | (type: [(am = g puream = 1)] | 
|---|
|  | 1000 | {exp coef:0} = { | 
|---|
|  | 1001 | 0.52000000000       1.0000000000 | 
|---|
|  | 1002 | }) | 
|---|
|  | 1003 | (type: [(am = h puream = 1)] | 
|---|
|  | 1004 | {exp coef:0} = { | 
|---|
|  | 1005 | 5.0880000000       1.0000000000 | 
|---|
|  | 1006 | }) | 
|---|
|  | 1007 | (type: [(am = h puream = 1)] | 
|---|
|  | 1008 | {exp coef:0} = { | 
|---|
|  | 1009 | 1.9370000000       1.0000000000 | 
|---|
|  | 1010 | }) | 
|---|
|  | 1011 | (type: [(am = h puream = 1)] | 
|---|
|  | 1012 | {exp coef:0} = { | 
|---|
|  | 1013 | 0.98500000000       1.0000000000 | 
|---|
|  | 1014 | }) | 
|---|
|  | 1015 | (type: [(am = i puream = 1)] | 
|---|
|  | 1016 | {exp coef:0} = { | 
|---|
|  | 1017 | 3.5810000000       1.0000000000 | 
|---|
|  | 1018 | }) | 
|---|
|  | 1019 | (type: [(am = i puream = 1)] | 
|---|
|  | 1020 | {exp coef:0} = { | 
|---|
|  | 1021 | 1.7390000000       1.0000000000 | 
|---|
|  | 1022 | }) | 
|---|
|  | 1023 | ] | 
|---|
|  | 1024 | % | 
|---|
|  | 1025 | % BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i] | 
|---|
|  | 1026 | % AUGMENTING FUNCTIONS: (1s,1p,1d,1f,1g,1h,1i) | 
|---|
|  | 1027 | neon: "aug-cc-pV6Z": [ | 
|---|
|  | 1028 | (type: [am = s am = s] | 
|---|
|  | 1029 | {exp coef:0 coef:1} = { | 
|---|
|  | 1030 | 902400.00000      0.55100000000E-05 -0.12900000000E-05 | 
|---|
|  | 1031 | 135100.00000      0.42820000000E-04 -0.10050000000E-04 | 
|---|
|  | 1032 | 30750.000000      0.22514000000E-03 -0.52930000000E-04 | 
|---|
|  | 1033 | 8710.0000000      0.95016000000E-03 -0.22312000000E-03 | 
|---|
|  | 1034 | 2842.0000000      0.34471900000E-02 -0.81338000000E-03 | 
|---|
|  | 1035 | 1026.0000000      0.11125450000E-01 -0.26323000000E-02 | 
|---|
|  | 1036 | 400.10000000      0.32205680000E-01 -0.77591000000E-02 | 
|---|
|  | 1037 | 165.90000000      0.82598910000E-01 -0.20452770000E-01 | 
|---|
|  | 1038 | 72.210000000      0.17990564000     -0.47975050000E-01 | 
|---|
|  | 1039 | 32.660000000      0.30605208000     -0.93400860000E-01 | 
|---|
|  | 1040 | 15.220000000      0.34012559000     -0.14277215000 | 
|---|
|  | 1041 | }) | 
|---|
|  | 1042 | (type: [am = s] | 
|---|
|  | 1043 | {exp coef:0} = { | 
|---|
|  | 1044 | 7.1490000000       1.0000000000 | 
|---|
|  | 1045 | }) | 
|---|
|  | 1046 | (type: [am = s] | 
|---|
|  | 1047 | {exp coef:0} = { | 
|---|
|  | 1048 | 2.9570000000       1.0000000000 | 
|---|
|  | 1049 | }) | 
|---|
|  | 1050 | (type: [am = s] | 
|---|
|  | 1051 | {exp coef:0} = { | 
|---|
|  | 1052 | 1.3350000000       1.0000000000 | 
|---|
|  | 1053 | }) | 
|---|
|  | 1054 | (type: [am = s] | 
|---|
|  | 1055 | {exp coef:0} = { | 
|---|
|  | 1056 | 0.58160000000       1.0000000000 | 
|---|
|  | 1057 | }) | 
|---|
|  | 1058 | (type: [am = s] | 
|---|
|  | 1059 | {exp coef:0} = { | 
|---|
|  | 1060 | 0.24630000000       1.0000000000 | 
|---|
|  | 1061 | }) | 
|---|
|  | 1062 | (type: [am = s] | 
|---|
|  | 1063 | {exp coef:0} = { | 
|---|
|  | 1064 | 0.86900000000E-01   1.0000000000 | 
|---|
|  | 1065 | }) | 
|---|
|  | 1066 | (type: [am = p] | 
|---|
|  | 1067 | {exp coef:0} = { | 
|---|
|  | 1068 | 815.60000000      0.18376000000E-03 | 
|---|
|  | 1069 | 193.30000000      0.15850900000E-02 | 
|---|
|  | 1070 | 62.600000000      0.84146400000E-02 | 
|---|
|  | 1071 | 23.610000000      0.32200330000E-01 | 
|---|
|  | 1072 | 9.7620000000      0.93963900000E-01 | 
|---|
|  | 1073 | }) | 
|---|
|  | 1074 | (type: [am = p] | 
|---|
|  | 1075 | {exp coef:0} = { | 
|---|
|  | 1076 | 4.2810000000       1.0000000000 | 
|---|
|  | 1077 | }) | 
|---|
|  | 1078 | (type: [am = p] | 
|---|
|  | 1079 | {exp coef:0} = { | 
|---|
|  | 1080 | 1.9150000000       1.0000000000 | 
|---|
|  | 1081 | }) | 
|---|
|  | 1082 | (type: [am = p] | 
|---|
|  | 1083 | {exp coef:0} = { | 
|---|
|  | 1084 | 0.84760000000       1.0000000000 | 
|---|
|  | 1085 | }) | 
|---|
|  | 1086 | (type: [am = p] | 
|---|
|  | 1087 | {exp coef:0} = { | 
|---|
|  | 1088 | 0.36600000000       1.0000000000 | 
|---|
|  | 1089 | }) | 
|---|
|  | 1090 | (type: [am = p] | 
|---|
|  | 1091 | {exp coef:0} = { | 
|---|
|  | 1092 | 0.15100000000       1.0000000000 | 
|---|
|  | 1093 | }) | 
|---|
|  | 1094 | (type: [am = p] | 
|---|
|  | 1095 | {exp coef:0} = { | 
|---|
|  | 1096 | 0.56600000000E-01   1.0000000000 | 
|---|
|  | 1097 | }) | 
|---|
|  | 1098 | (type: [(am = d puream = 1)] | 
|---|
|  | 1099 | {exp coef:0} = { | 
|---|
|  | 1100 | 13.317000000       1.0000000000 | 
|---|
|  | 1101 | }) | 
|---|
|  | 1102 | (type: [(am = d puream = 1)] | 
|---|
|  | 1103 | {exp coef:0} = { | 
|---|
|  | 1104 | 5.8030000000       1.0000000000 | 
|---|
|  | 1105 | }) | 
|---|
|  | 1106 | (type: [(am = d puream = 1)] | 
|---|
|  | 1107 | {exp coef:0} = { | 
|---|
|  | 1108 | 2.5290000000       1.0000000000 | 
|---|
|  | 1109 | }) | 
|---|
|  | 1110 | (type: [(am = d puream = 1)] | 
|---|
|  | 1111 | {exp coef:0} = { | 
|---|
|  | 1112 | 1.1020000000       1.0000000000 | 
|---|
|  | 1113 | }) | 
|---|
|  | 1114 | (type: [(am = d puream = 1)] | 
|---|
|  | 1115 | {exp coef:0} = { | 
|---|
|  | 1116 | 0.48000000000       1.0000000000 | 
|---|
|  | 1117 | }) | 
|---|
|  | 1118 | (type: [(am = d puream = 1)] | 
|---|
|  | 1119 | {exp coef:0} = { | 
|---|
|  | 1120 | 0.18700000000       1.0000000000 | 
|---|
|  | 1121 | }) | 
|---|
|  | 1122 | (type: [(am = f puream = 1)] | 
|---|
|  | 1123 | {exp coef:0} = { | 
|---|
|  | 1124 | 10.356000000       1.0000000000 | 
|---|
|  | 1125 | }) | 
|---|
|  | 1126 | (type: [(am = f puream = 1)] | 
|---|
|  | 1127 | {exp coef:0} = { | 
|---|
|  | 1128 | 4.5380000000       1.0000000000 | 
|---|
|  | 1129 | }) | 
|---|
|  | 1130 | (type: [(am = f puream = 1)] | 
|---|
|  | 1131 | {exp coef:0} = { | 
|---|
|  | 1132 | 1.9890000000       1.0000000000 | 
|---|
|  | 1133 | }) | 
|---|
|  | 1134 | (type: [(am = f puream = 1)] | 
|---|
|  | 1135 | {exp coef:0} = { | 
|---|
|  | 1136 | 0.87100000000       1.0000000000 | 
|---|
|  | 1137 | }) | 
|---|
|  | 1138 | (type: [(am = f puream = 1)] | 
|---|
|  | 1139 | {exp coef:0} = { | 
|---|
|  | 1140 | 0.34920000000       1.0000000000 | 
|---|
|  | 1141 | }) | 
|---|
|  | 1142 | (type: [(am = g puream = 1)] | 
|---|
|  | 1143 | {exp coef:0} = { | 
|---|
|  | 1144 | 8.3450000000       1.0000000000 | 
|---|
|  | 1145 | }) | 
|---|
|  | 1146 | (type: [(am = g puream = 1)] | 
|---|
|  | 1147 | {exp coef:0} = { | 
|---|
|  | 1148 | 3.4170000000       1.0000000000 | 
|---|
|  | 1149 | }) | 
|---|
|  | 1150 | (type: [(am = g puream = 1)] | 
|---|
|  | 1151 | {exp coef:0} = { | 
|---|
|  | 1152 | 1.3990000000       1.0000000000 | 
|---|
|  | 1153 | }) | 
|---|
|  | 1154 | (type: [(am = g puream = 1)] | 
|---|
|  | 1155 | {exp coef:0} = { | 
|---|
|  | 1156 | 0.63450000000       1.0000000000 | 
|---|
|  | 1157 | }) | 
|---|
|  | 1158 | (type: [(am = h puream = 1)] | 
|---|
|  | 1159 | {exp coef:0} = { | 
|---|
|  | 1160 | 6.5190000000       1.0000000000 | 
|---|
|  | 1161 | }) | 
|---|
|  | 1162 | (type: [(am = h puream = 1)] | 
|---|
|  | 1163 | {exp coef:0} = { | 
|---|
|  | 1164 | 2.4470000000       1.0000000000 | 
|---|
|  | 1165 | }) | 
|---|
|  | 1166 | (type: [(am = h puream = 1)] | 
|---|
|  | 1167 | {exp coef:0} = { | 
|---|
|  | 1168 | 1.2093000000       1.0000000000 | 
|---|
|  | 1169 | }) | 
|---|
|  | 1170 | (type: [(am = i puream = 1)] | 
|---|
|  | 1171 | {exp coef:0} = { | 
|---|
|  | 1172 | 4.4890000000       1.0000000000 | 
|---|
|  | 1173 | }) | 
|---|
|  | 1174 | (type: [(am = i puream = 1)] | 
|---|
|  | 1175 | {exp coef:0} = { | 
|---|
|  | 1176 | 2.1215000000       1.0000000000 | 
|---|
|  | 1177 | }) | 
|---|
|  | 1178 | ] | 
|---|
|  | 1179 | % AUGMENTING FUNCTIONS: (1s,1p,1d,1f,1g,1h,1i) | 
|---|
|  | 1180 | aluminum: "aug-cc-pV6Z": [ | 
|---|
|  | 1181 | (type: [am = s am = s am = s] | 
|---|
|  | 1182 | {exp coef:0 coef:1 coef:2} = { | 
|---|
|  | 1183 | 3652000.0000      0.19000000000E-05 -0.50000000000E-06  0.10000000000E-06 | 
|---|
|  | 1184 | 546800.00000      0.14500000000E-04 -0.38000000000E-05  0.90000000000E-06 | 
|---|
|  | 1185 | 124500.00000      0.76200000000E-04 -0.19800000000E-04  0.46000000000E-05 | 
|---|
|  | 1186 | 35440.000000      0.31580000000E-03 -0.82100000000E-04  0.19000000000E-04 | 
|---|
|  | 1187 | 11840.000000      0.10974000000E-02 -0.28580000000E-03  0.65900000000E-04 | 
|---|
|  | 1188 | 4434.0000000      0.33697000000E-02 -0.87850000000E-03  0.20310000000E-03 | 
|---|
|  | 1189 | 1812.0000000      0.93222000000E-02 -0.24482000000E-02  0.56470000000E-03 | 
|---|
|  | 1190 | 791.50000000      0.23799200000E-01 -0.63100000000E-02  0.14620000000E-02 | 
|---|
|  | 1191 | 361.00000000      0.56819100000E-01 -0.15485400000E-01  0.35794000000E-02 | 
|---|
|  | 1192 | 169.50000000      0.12246800000     -0.34958900000E-01  0.81516000000E-02 | 
|---|
|  | 1193 | 81.680000000      0.22389700000     -0.70772900000E-01  0.16527600000E-01 | 
|---|
|  | 1194 | 40.280000000      0.31344600000     -0.11942300000      0.28546700000E-01 | 
|---|
|  | 1195 | 20.250000000      0.27497500000     -0.14884200000      0.36148400000E-01 | 
|---|
|  | 1196 | 10.230000000      0.11056400000     -0.59046500000E-01  0.15380400000E-01 | 
|---|
|  | 1197 | 4.8020000000      0.11921500000E-01  0.21669300000     -0.61214100000E-01 | 
|---|
|  | 1198 | 2.3390000000      0.65280000000E-03  0.47655700000     -0.15126300000 | 
|---|
|  | 1199 | }) | 
|---|
|  | 1200 | (type: [am = s] | 
|---|
|  | 1201 | {exp coef:0} = { | 
|---|
|  | 1202 | 1.1630000000       1.0000000000 | 
|---|
|  | 1203 | }) | 
|---|
|  | 1204 | (type: [am = s] | 
|---|
|  | 1205 | {exp coef:0} = { | 
|---|
|  | 1206 | 0.58820000000       1.0000000000 | 
|---|
|  | 1207 | }) | 
|---|
|  | 1208 | (type: [am = s] | 
|---|
|  | 1209 | {exp coef:0} = { | 
|---|
|  | 1210 | 0.23110000000       1.0000000000 | 
|---|
|  | 1211 | }) | 
|---|
|  | 1212 | (type: [am = s] | 
|---|
|  | 1213 | {exp coef:0} = { | 
|---|
|  | 1214 | 0.10270000000       1.0000000000 | 
|---|
|  | 1215 | }) | 
|---|
|  | 1216 | (type: [am = s] | 
|---|
|  | 1217 | {exp coef:0} = { | 
|---|
|  | 1218 | 0.45210000000E-01   1.0000000000 | 
|---|
|  | 1219 | }) | 
|---|
|  | 1220 | (type: [am = s] | 
|---|
|  | 1221 | {exp coef:0} = { | 
|---|
|  | 1222 | 0.17370000000E-01   1.0000000000 | 
|---|
|  | 1223 | }) | 
|---|
|  | 1224 | (type: [am = p am = p] | 
|---|
|  | 1225 | {exp coef:0 coef:1} = { | 
|---|
|  | 1226 | 2884.0000000      0.63800000000E-04 -0.80000000000E-05 | 
|---|
|  | 1227 | 683.20000000      0.56310000000E-03 -0.65100000000E-04 | 
|---|
|  | 1228 | 222.00000000      0.31691000000E-02 -0.39990000000E-03 | 
|---|
|  | 1229 | 84.820000000      0.13240100000E-01 -0.15369000000E-02 | 
|---|
|  | 1230 | 35.810000000      0.43340300000E-01 -0.55644000000E-02 | 
|---|
|  | 1231 | 16.220000000      0.11195000000     -0.13110600000E-01 | 
|---|
|  | 1232 | 7.7020000000      0.21779600000     -0.29720000000E-01 | 
|---|
|  | 1233 | 3.7410000000      0.31167500000     -0.34719500000E-01 | 
|---|
|  | 1234 | 1.8310000000      0.31672200000     -0.55162100000E-01 | 
|---|
|  | 1235 | }) | 
|---|
|  | 1236 | (type: [am = p] | 
|---|
|  | 1237 | {exp coef:0} = { | 
|---|
|  | 1238 | 0.88780000000       1.0000000000 | 
|---|
|  | 1239 | }) | 
|---|
|  | 1240 | (type: [am = p] | 
|---|
|  | 1241 | {exp coef:0} = { | 
|---|
|  | 1242 | 0.39890000000       1.0000000000 | 
|---|
|  | 1243 | }) | 
|---|
|  | 1244 | (type: [am = p] | 
|---|
|  | 1245 | {exp coef:0} = { | 
|---|
|  | 1246 | 0.17180000000       1.0000000000 | 
|---|
|  | 1247 | }) | 
|---|
|  | 1248 | (type: [am = p] | 
|---|
|  | 1249 | {exp coef:0} = { | 
|---|
|  | 1250 | 0.72980000000E-01   1.0000000000 | 
|---|
|  | 1251 | }) | 
|---|
|  | 1252 | (type: [am = p] | 
|---|
|  | 1253 | {exp coef:0} = { | 
|---|
|  | 1254 | 0.30690000000E-01   1.0000000000 | 
|---|
|  | 1255 | }) | 
|---|
|  | 1256 | (type: [am = p] | 
|---|
|  | 1257 | {exp coef:0} = { | 
|---|
|  | 1258 | 0.10210000000E-01   1.0000000000 | 
|---|
|  | 1259 | }) | 
|---|
|  | 1260 | (type: [(am = d puream = 1)] | 
|---|
|  | 1261 | {exp coef:0} = { | 
|---|
|  | 1262 | 2.2143000000       1.0000000000 | 
|---|
|  | 1263 | }) | 
|---|
|  | 1264 | (type: [(am = d puream = 1)] | 
|---|
|  | 1265 | {exp coef:0} = { | 
|---|
|  | 1266 | 0.94490000000       1.0000000000 | 
|---|
|  | 1267 | }) | 
|---|
|  | 1268 | (type: [(am = d puream = 1)] | 
|---|
|  | 1269 | {exp coef:0} = { | 
|---|
|  | 1270 | 0.40320000000       1.0000000000 | 
|---|
|  | 1271 | }) | 
|---|
|  | 1272 | (type: [(am = d puream = 1)] | 
|---|
|  | 1273 | {exp coef:0} = { | 
|---|
|  | 1274 | 0.17210000000       1.0000000000 | 
|---|
|  | 1275 | }) | 
|---|
|  | 1276 | (type: [(am = d puream = 1)] | 
|---|
|  | 1277 | {exp coef:0} = { | 
|---|
|  | 1278 | 0.73430000000E-01   1.0000000000 | 
|---|
|  | 1279 | }) | 
|---|
|  | 1280 | (type: [(am = d puream = 1)] | 
|---|
|  | 1281 | {exp coef:0} = { | 
|---|
|  | 1282 | 0.26660000000E-01   1.0000000000 | 
|---|
|  | 1283 | }) | 
|---|
|  | 1284 | (type: [(am = f puream = 1)] | 
|---|
|  | 1285 | {exp coef:0} = { | 
|---|
|  | 1286 | 0.87560000000       1.0000000000 | 
|---|
|  | 1287 | }) | 
|---|
|  | 1288 | (type: [(am = f puream = 1)] | 
|---|
|  | 1289 | {exp coef:0} = { | 
|---|
|  | 1290 | 0.44720000000       1.0000000000 | 
|---|
|  | 1291 | }) | 
|---|
|  | 1292 | (type: [(am = f puream = 1)] | 
|---|
|  | 1293 | {exp coef:0} = { | 
|---|
|  | 1294 | 0.22840000000       1.0000000000 | 
|---|
|  | 1295 | }) | 
|---|
|  | 1296 | (type: [(am = f puream = 1)] | 
|---|
|  | 1297 | {exp coef:0} = { | 
|---|
|  | 1298 | 0.11670000000       1.0000000000 | 
|---|
|  | 1299 | }) | 
|---|
|  | 1300 | (type: [(am = f puream = 1)] | 
|---|
|  | 1301 | {exp coef:0} = { | 
|---|
|  | 1302 | 0.46250000000E-01   1.0000000000 | 
|---|
|  | 1303 | }) | 
|---|
|  | 1304 | (type: [(am = g puream = 1)] | 
|---|
|  | 1305 | {exp coef:0} = { | 
|---|
|  | 1306 | 0.69520000000       1.0000000000 | 
|---|
|  | 1307 | }) | 
|---|
|  | 1308 | (type: [(am = g puream = 1)] | 
|---|
|  | 1309 | {exp coef:0} = { | 
|---|
|  | 1310 | 0.37710000000       1.0000000000 | 
|---|
|  | 1311 | }) | 
|---|
|  | 1312 | (type: [(am = g puream = 1)] | 
|---|
|  | 1313 | {exp coef:0} = { | 
|---|
|  | 1314 | 0.20460000000       1.0000000000 | 
|---|
|  | 1315 | }) | 
|---|
|  | 1316 | (type: [(am = g puream = 1)] | 
|---|
|  | 1317 | {exp coef:0} = { | 
|---|
|  | 1318 | 0.85450000000E-01   1.0000000000 | 
|---|
|  | 1319 | }) | 
|---|
|  | 1320 | (type: [(am = h puream = 1)] | 
|---|
|  | 1321 | {exp coef:0} = { | 
|---|
|  | 1322 | 0.65600000000       1.0000000000 | 
|---|
|  | 1323 | }) | 
|---|
|  | 1324 | (type: [(am = h puream = 1)] | 
|---|
|  | 1325 | {exp coef:0} = { | 
|---|
|  | 1326 | 0.33000000000       1.0000000000 | 
|---|
|  | 1327 | }) | 
|---|
|  | 1328 | (type: [(am = h puream = 1)] | 
|---|
|  | 1329 | {exp coef:0} = { | 
|---|
|  | 1330 | 0.16550000000       1.0000000000 | 
|---|
|  | 1331 | }) | 
|---|
|  | 1332 | (type: [(am = i puream = 1)] | 
|---|
|  | 1333 | {exp coef:0} = { | 
|---|
|  | 1334 | 0.53020000000       1.0000000000 | 
|---|
|  | 1335 | }) | 
|---|
|  | 1336 | (type: [(am = i puream = 1)] | 
|---|
|  | 1337 | {exp coef:0} = { | 
|---|
|  | 1338 | 0.29900000000       1.0000000000 | 
|---|
|  | 1339 | }) | 
|---|
|  | 1340 | ] | 
|---|
|  | 1341 | % | 
|---|
|  | 1342 | % BASIS SET: (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i] | 
|---|
|  | 1343 | % AUGMENTING FUNCTIONS: (1s,1p,1d,1f,1g,1h,1i) | 
|---|
|  | 1344 | silicon: "aug-cc-pV6Z": [ | 
|---|
|  | 1345 | (type: [am = s am = s am = s] | 
|---|
|  | 1346 | {exp coef:0 coef:1 coef:2} = { | 
|---|
|  | 1347 | 4465000.0000      0.17000000000E-05 -0.50000000000E-06  0.10000000000E-06 | 
|---|
|  | 1348 | 668500.00000      0.13600000000E-04 -0.36000000000E-05  0.90000000000E-06 | 
|---|
|  | 1349 | 152200.00000      0.71400000000E-04 -0.19000000000E-04  0.49000000000E-05 | 
|---|
|  | 1350 | 43300.000000      0.29730000000E-03 -0.79100000000E-04  0.20300000000E-04 | 
|---|
|  | 1351 | 14410.000000      0.10383000000E-02 -0.27690000000E-03  0.70900000000E-04 | 
|---|
|  | 1352 | 5394.0000000      0.31747000000E-02 -0.84720000000E-03  0.21720000000E-03 | 
|---|
|  | 1353 | 2212.0000000      0.87324000000E-02 -0.23478000000E-02  0.60130000000E-03 | 
|---|
|  | 1354 | 968.10000000      0.22383000000E-01 -0.60705000000E-02  0.15591000000E-02 | 
|---|
|  | 1355 | 441.20000000      0.53727300000E-01 -0.14971100000E-01  0.38443000000E-02 | 
|---|
|  | 1356 | 207.10000000      0.11664900000     -0.33972900000E-01  0.87797000000E-02 | 
|---|
|  | 1357 | 99.800000000      0.21597800000     -0.69458400000E-01  0.18038800000E-01 | 
|---|
|  | 1358 | 49.240000000      0.30956600000     -0.11900100000      0.31522400000E-01 | 
|---|
|  | 1359 | 24.740000000      0.28394500000     -0.15364500000      0.41690500000E-01 | 
|---|
|  | 1360 | 12.470000000      0.12223200000     -0.70468400000E-01  0.20097300000E-01 | 
|---|
|  | 1361 | 5.7950000000      0.14195200000E-01  0.21314900000     -0.66748400000E-01 | 
|---|
|  | 1362 | 2.8300000000      0.31210000000E-03  0.49159600000     -0.18190600000 | 
|---|
|  | 1363 | }) | 
|---|
|  | 1364 | (type: [am = s] | 
|---|
|  | 1365 | {exp coef:0} = { | 
|---|
|  | 1366 | 1.4070000000       1.0000000000 | 
|---|
|  | 1367 | }) | 
|---|
|  | 1368 | (type: [am = s] | 
|---|
|  | 1369 | {exp coef:0} = { | 
|---|
|  | 1370 | 0.69950000000       1.0000000000 | 
|---|
|  | 1371 | }) | 
|---|
|  | 1372 | (type: [am = s] | 
|---|
|  | 1373 | {exp coef:0} = { | 
|---|
|  | 1374 | 0.30830000000       1.0000000000 | 
|---|
|  | 1375 | }) | 
|---|
|  | 1376 | (type: [am = s] | 
|---|
|  | 1377 | {exp coef:0} = { | 
|---|
|  | 1378 | 0.13850000000       1.0000000000 | 
|---|
|  | 1379 | }) | 
|---|
|  | 1380 | (type: [am = s] | 
|---|
|  | 1381 | {exp coef:0} = { | 
|---|
|  | 1382 | 0.61450000000E-01   1.0000000000 | 
|---|
|  | 1383 | }) | 
|---|
|  | 1384 | (type: [am = s] | 
|---|
|  | 1385 | {exp coef:0} = { | 
|---|
|  | 1386 | 0.25390000000E-01   1.0000000000 | 
|---|
|  | 1387 | }) | 
|---|
|  | 1388 | (type: [am = p am = p] | 
|---|
|  | 1389 | {exp coef:0 coef:1} = { | 
|---|
|  | 1390 | 3572.0000000      0.59900000000E-04 -0.12800000000E-04 | 
|---|
|  | 1391 | 846.00000000      0.52960000000E-03 -0.11260000000E-03 | 
|---|
|  | 1392 | 274.80000000      0.29958000000E-02 -0.64020000000E-03 | 
|---|
|  | 1393 | 105.00000000      0.12633500000E-01 -0.27029000000E-02 | 
|---|
|  | 1394 | 44.350000000      0.41904400000E-01 -0.90789000000E-02 | 
|---|
|  | 1395 | 20.080000000      0.11025900000     -0.24234800000E-01 | 
|---|
|  | 1396 | 9.5300000000      0.21883100000     -0.49346000000E-01 | 
|---|
|  | 1397 | 4.6340000000      0.31782800000     -0.72585900000E-01 | 
|---|
|  | 1398 | 2.2800000000      0.31942500000     -0.80425800000E-01 | 
|---|
|  | 1399 | }) | 
|---|
|  | 1400 | (type: [am = p] | 
|---|
|  | 1401 | {exp coef:0} = { | 
|---|
|  | 1402 | 1.1160000000       1.0000000000 | 
|---|
|  | 1403 | }) | 
|---|
|  | 1404 | (type: [am = p] | 
|---|
|  | 1405 | {exp coef:0} = { | 
|---|
|  | 1406 | 0.49910000000       1.0000000000 | 
|---|
|  | 1407 | }) | 
|---|
|  | 1408 | (type: [am = p] | 
|---|
|  | 1409 | {exp coef:0} = { | 
|---|
|  | 1410 | 0.22540000000       1.0000000000 | 
|---|
|  | 1411 | }) | 
|---|
|  | 1412 | (type: [am = p] | 
|---|
|  | 1413 | {exp coef:0} = { | 
|---|
|  | 1414 | 0.10010000000       1.0000000000 | 
|---|
|  | 1415 | }) | 
|---|
|  | 1416 | (type: [am = p] | 
|---|
|  | 1417 | {exp coef:0} = { | 
|---|
|  | 1418 | 0.43320000000E-01   1.0000000000 | 
|---|
|  | 1419 | }) | 
|---|
|  | 1420 | (type: [am = p] | 
|---|
|  | 1421 | {exp coef:0} = { | 
|---|
|  | 1422 | 0.16940000000E-01   1.0000000000 | 
|---|
|  | 1423 | }) | 
|---|
|  | 1424 | (type: [(am = d puream = 1)] | 
|---|
|  | 1425 | {exp coef:0} = { | 
|---|
|  | 1426 | 3.2386000000       1.0000000000 | 
|---|
|  | 1427 | }) | 
|---|
|  | 1428 | (type: [(am = d puream = 1)] | 
|---|
|  | 1429 | {exp coef:0} = { | 
|---|
|  | 1430 | 1.3767000000       1.0000000000 | 
|---|
|  | 1431 | }) | 
|---|
|  | 1432 | (type: [(am = d puream = 1)] | 
|---|
|  | 1433 | {exp coef:0} = { | 
|---|
|  | 1434 | 0.58530000000       1.0000000000 | 
|---|
|  | 1435 | }) | 
|---|
|  | 1436 | (type: [(am = d puream = 1)] | 
|---|
|  | 1437 | {exp coef:0} = { | 
|---|
|  | 1438 | 0.24880000000       1.0000000000 | 
|---|
|  | 1439 | }) | 
|---|
|  | 1440 | (type: [(am = d puream = 1)] | 
|---|
|  | 1441 | {exp coef:0} = { | 
|---|
|  | 1442 | 0.10580000000       1.0000000000 | 
|---|
|  | 1443 | }) | 
|---|
|  | 1444 | (type: [(am = d puream = 1)] | 
|---|
|  | 1445 | {exp coef:0} = { | 
|---|
|  | 1446 | 0.41390000000E-01   1.0000000000 | 
|---|
|  | 1447 | }) | 
|---|
|  | 1448 | (type: [(am = f puream = 1)] | 
|---|
|  | 1449 | {exp coef:0} = { | 
|---|
|  | 1450 | 1.3510000000       1.0000000000 | 
|---|
|  | 1451 | }) | 
|---|
|  | 1452 | (type: [(am = f puream = 1)] | 
|---|
|  | 1453 | {exp coef:0} = { | 
|---|
|  | 1454 | 0.66000000000       1.0000000000 | 
|---|
|  | 1455 | }) | 
|---|
|  | 1456 | (type: [(am = f puream = 1)] | 
|---|
|  | 1457 | {exp coef:0} = { | 
|---|
|  | 1458 | 0.32250000000       1.0000000000 | 
|---|
|  | 1459 | }) | 
|---|
|  | 1460 | (type: [(am = f puream = 1)] | 
|---|
|  | 1461 | {exp coef:0} = { | 
|---|
|  | 1462 | 0.15750000000       1.0000000000 | 
|---|
|  | 1463 | }) | 
|---|
|  | 1464 | (type: [(am = f puream = 1)] | 
|---|
|  | 1465 | {exp coef:0} = { | 
|---|
|  | 1466 | 0.68840000000E-01   1.0000000000 | 
|---|
|  | 1467 | }) | 
|---|
|  | 1468 | (type: [(am = g puream = 1)] | 
|---|
|  | 1469 | {exp coef:0} = { | 
|---|
|  | 1470 | 0.85280000000       1.0000000000 | 
|---|
|  | 1471 | }) | 
|---|
|  | 1472 | (type: [(am = g puream = 1)] | 
|---|
|  | 1473 | {exp coef:0} = { | 
|---|
|  | 1474 | 0.46310000000       1.0000000000 | 
|---|
|  | 1475 | }) | 
|---|
|  | 1476 | (type: [(am = g puream = 1)] | 
|---|
|  | 1477 | {exp coef:0} = { | 
|---|
|  | 1478 | 0.25150000000       1.0000000000 | 
|---|
|  | 1479 | }) | 
|---|
|  | 1480 | (type: [(am = g puream = 1)] | 
|---|
|  | 1481 | {exp coef:0} = { | 
|---|
|  | 1482 | 0.11640000000       1.0000000000 | 
|---|
|  | 1483 | }) | 
|---|
|  | 1484 | (type: [(am = h puream = 1)] | 
|---|
|  | 1485 | {exp coef:0} = { | 
|---|
|  | 1486 | 0.85570000000       1.0000000000 | 
|---|
|  | 1487 | }) | 
|---|
|  | 1488 | (type: [(am = h puream = 1)] | 
|---|
|  | 1489 | {exp coef:0} = { | 
|---|
|  | 1490 | 0.42310000000       1.0000000000 | 
|---|
|  | 1491 | }) | 
|---|
|  | 1492 | (type: [(am = h puream = 1)] | 
|---|
|  | 1493 | {exp coef:0} = { | 
|---|
|  | 1494 | 0.23510000000       1.0000000000 | 
|---|
|  | 1495 | }) | 
|---|
|  | 1496 | (type: [(am = i puream = 1)] | 
|---|
|  | 1497 | {exp coef:0} = { | 
|---|
|  | 1498 | 0.69460000000       1.0000000000 | 
|---|
|  | 1499 | }) | 
|---|
|  | 1500 | (type: [(am = i puream = 1)] | 
|---|
|  | 1501 | {exp coef:0} = { | 
|---|
|  | 1502 | 0.42710000000       1.0000000000 | 
|---|
|  | 1503 | }) | 
|---|
|  | 1504 | ] | 
|---|
|  | 1505 | % | 
|---|
|  | 1506 | % BASIS SET: (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i] | 
|---|
|  | 1507 | % AUGMENTING FUNCTIONS: (1s,1p,1d,1f,1g,1h,1i) | 
|---|
|  | 1508 | phosphorus: "aug-cc-pV6Z": [ | 
|---|
|  | 1509 | (type: [am = s am = s am = s] | 
|---|
|  | 1510 | {exp coef:0 coef:1 coef:2} = { | 
|---|
|  | 1511 | 5384000.0000      0.16000000000E-05 -0.40000000000E-06  0.10000000000E-06 | 
|---|
|  | 1512 | 806200.00000      0.12800000000E-04 -0.35000000000E-05  0.10000000000E-05 | 
|---|
|  | 1513 | 183600.00000      0.67200000000E-04 -0.18300000000E-04  0.50000000000E-05 | 
|---|
|  | 1514 | 52250.000000      0.27970000000E-03 -0.75900000000E-04  0.20900000000E-04 | 
|---|
|  | 1515 | 17390.000000      0.97670000000E-03 -0.26570000000E-03  0.73000000000E-04 | 
|---|
|  | 1516 | 6523.0000000      0.29684000000E-02 -0.80800000000E-03  0.22210000000E-03 | 
|---|
|  | 1517 | 2687.0000000      0.81240000000E-02 -0.22273000000E-02  0.61220000000E-03 | 
|---|
|  | 1518 | 1178.0000000      0.20920000000E-01 -0.57833000000E-02  0.15918000000E-02 | 
|---|
|  | 1519 | 536.20000000      0.50559000000E-01 -0.14343800000E-01  0.39534000000E-02 | 
|---|
|  | 1520 | 251.50000000      0.11047900000     -0.32706100000E-01  0.90572000000E-02 | 
|---|
|  | 1521 | 121.30000000      0.20695700000     -0.67371600000E-01  0.18790900000E-01 | 
|---|
|  | 1522 | 59.880000000      0.30473700000     -0.11764700000      0.33383100000E-01 | 
|---|
|  | 1523 | 30.050000000      0.29295200000     -0.15728000000      0.45948400000E-01 | 
|---|
|  | 1524 | 15.120000000      0.13556100000     -0.83854400000E-01  0.25524000000E-01 | 
|---|
|  | 1525 | 7.0100000000      0.17320800000E-01  0.19971800000     -0.66949600000E-01 | 
|---|
|  | 1526 | 3.4410000000     -0.35200000000E-04  0.49860500000     -0.20364500000 | 
|---|
|  | 1527 | }) | 
|---|
|  | 1528 | (type: [am = s] | 
|---|
|  | 1529 | {exp coef:0} = { | 
|---|
|  | 1530 | 1.7120000000       1.0000000000 | 
|---|
|  | 1531 | }) | 
|---|
|  | 1532 | (type: [am = s] | 
|---|
|  | 1533 | {exp coef:0} = { | 
|---|
|  | 1534 | 0.83370000000       1.0000000000 | 
|---|
|  | 1535 | }) | 
|---|
|  | 1536 | (type: [am = s] | 
|---|
|  | 1537 | {exp coef:0} = { | 
|---|
|  | 1538 | 0.39120000000       1.0000000000 | 
|---|
|  | 1539 | }) | 
|---|
|  | 1540 | (type: [am = s] | 
|---|
|  | 1541 | {exp coef:0} = { | 
|---|
|  | 1542 | 0.17770000000       1.0000000000 | 
|---|
|  | 1543 | }) | 
|---|
|  | 1544 | (type: [am = s] | 
|---|
|  | 1545 | {exp coef:0} = { | 
|---|
|  | 1546 | 0.79390000000E-01   1.0000000000 | 
|---|
|  | 1547 | }) | 
|---|
|  | 1548 | (type: [am = s] | 
|---|
|  | 1549 | {exp coef:0} = { | 
|---|
|  | 1550 | 0.32280000000E-01   1.0000000000 | 
|---|
|  | 1551 | }) | 
|---|
|  | 1552 | (type: [am = p am = p] | 
|---|
|  | 1553 | {exp coef:0 coef:1} = { | 
|---|
|  | 1554 | 4552.0000000      0.52000000000E-04 -0.12400000000E-04 | 
|---|
|  | 1555 | 1078.0000000      0.46040000000E-03 -0.10940000000E-03 | 
|---|
|  | 1556 | 350.10000000      0.26208000000E-02 -0.62560000000E-03 | 
|---|
|  | 1557 | 133.80000000      0.11187300000E-01 -0.26734000000E-02 | 
|---|
|  | 1558 | 56.520000000      0.37822900000E-01 -0.91552000000E-02 | 
|---|
|  | 1559 | 25.580000000      0.10211600000     -0.25099300000E-01 | 
|---|
|  | 1560 | 12.140000000      0.21031400000     -0.53181000000E-01 | 
|---|
|  | 1561 | 5.9020000000      0.31738300000     -0.81588800000E-01 | 
|---|
|  | 1562 | 2.9100000000      0.32716500000     -0.91972500000E-01 | 
|---|
|  | 1563 | }) | 
|---|
|  | 1564 | (type: [am = p] | 
|---|
|  | 1565 | {exp coef:0} = { | 
|---|
|  | 1566 | 1.4350000000       1.0000000000 | 
|---|
|  | 1567 | }) | 
|---|
|  | 1568 | (type: [am = p] | 
|---|
|  | 1569 | {exp coef:0} = { | 
|---|
|  | 1570 | 0.65700000000       1.0000000000 | 
|---|
|  | 1571 | }) | 
|---|
|  | 1572 | (type: [am = p] | 
|---|
|  | 1573 | {exp coef:0} = { | 
|---|
|  | 1574 | 0.30050000000       1.0000000000 | 
|---|
|  | 1575 | }) | 
|---|
|  | 1576 | (type: [am = p] | 
|---|
|  | 1577 | {exp coef:0} = { | 
|---|
|  | 1578 | 0.13400000000       1.0000000000 | 
|---|
|  | 1579 | }) | 
|---|
|  | 1580 | (type: [am = p] | 
|---|
|  | 1581 | {exp coef:0} = { | 
|---|
|  | 1582 | 0.57830000000E-01   1.0000000000 | 
|---|
|  | 1583 | }) | 
|---|
|  | 1584 | (type: [am = p] | 
|---|
|  | 1585 | {exp coef:0} = { | 
|---|
|  | 1586 | 0.21970000000E-01   1.0000000000 | 
|---|
|  | 1587 | }) | 
|---|
|  | 1588 | (type: [(am = d puream = 1)] | 
|---|
|  | 1589 | {exp coef:0} = { | 
|---|
|  | 1590 | 4.3008000000       1.0000000000 | 
|---|
|  | 1591 | }) | 
|---|
|  | 1592 | (type: [(am = d puream = 1)] | 
|---|
|  | 1593 | {exp coef:0} = { | 
|---|
|  | 1594 | 1.8346000000       1.0000000000 | 
|---|
|  | 1595 | }) | 
|---|
|  | 1596 | (type: [(am = d puream = 1)] | 
|---|
|  | 1597 | {exp coef:0} = { | 
|---|
|  | 1598 | 0.78260000000       1.0000000000 | 
|---|
|  | 1599 | }) | 
|---|
|  | 1600 | (type: [(am = d puream = 1)] | 
|---|
|  | 1601 | {exp coef:0} = { | 
|---|
|  | 1602 | 0.33390000000       1.0000000000 | 
|---|
|  | 1603 | }) | 
|---|
|  | 1604 | (type: [(am = d puream = 1)] | 
|---|
|  | 1605 | {exp coef:0} = { | 
|---|
|  | 1606 | 0.14240000000       1.0000000000 | 
|---|
|  | 1607 | }) | 
|---|
|  | 1608 | (type: [(am = d puream = 1)] | 
|---|
|  | 1609 | {exp coef:0} = { | 
|---|
|  | 1610 | 0.54920000000E-01   1.0000000000 | 
|---|
|  | 1611 | }) | 
|---|
|  | 1612 | (type: [(am = f puream = 1)] | 
|---|
|  | 1613 | {exp coef:0} = { | 
|---|
|  | 1614 | 1.8160000000       1.0000000000 | 
|---|
|  | 1615 | }) | 
|---|
|  | 1616 | (type: [(am = f puream = 1)] | 
|---|
|  | 1617 | {exp coef:0} = { | 
|---|
|  | 1618 | 0.88060000000       1.0000000000 | 
|---|
|  | 1619 | }) | 
|---|
|  | 1620 | (type: [(am = f puream = 1)] | 
|---|
|  | 1621 | {exp coef:0} = { | 
|---|
|  | 1622 | 0.42700000000       1.0000000000 | 
|---|
|  | 1623 | }) | 
|---|
|  | 1624 | (type: [(am = f puream = 1)] | 
|---|
|  | 1625 | {exp coef:0} = { | 
|---|
|  | 1626 | 0.20700000000       1.0000000000 | 
|---|
|  | 1627 | }) | 
|---|
|  | 1628 | (type: [(am = f puream = 1)] | 
|---|
|  | 1629 | {exp coef:0} = { | 
|---|
|  | 1630 | 0.87100000000E-01   1.0000000000 | 
|---|
|  | 1631 | }) | 
|---|
|  | 1632 | (type: [(am = g puream = 1)] | 
|---|
|  | 1633 | {exp coef:0} = { | 
|---|
|  | 1634 | 1.0616000000       1.0000000000 | 
|---|
|  | 1635 | }) | 
|---|
|  | 1636 | (type: [(am = g puream = 1)] | 
|---|
|  | 1637 | {exp coef:0} = { | 
|---|
|  | 1638 | 0.57910000000       1.0000000000 | 
|---|
|  | 1639 | }) | 
|---|
|  | 1640 | (type: [(am = g puream = 1)] | 
|---|
|  | 1641 | {exp coef:0} = { | 
|---|
|  | 1642 | 0.31590000000       1.0000000000 | 
|---|
|  | 1643 | }) | 
|---|
|  | 1644 | (type: [(am = g puream = 1)] | 
|---|
|  | 1645 | {exp coef:0} = { | 
|---|
|  | 1646 | 0.14700000000       1.0000000000 | 
|---|
|  | 1647 | }) | 
|---|
|  | 1648 | (type: [(am = h puream = 1)] | 
|---|
|  | 1649 | {exp coef:0} = { | 
|---|
|  | 1650 | 1.0850000000       1.0000000000 | 
|---|
|  | 1651 | }) | 
|---|
|  | 1652 | (type: [(am = h puream = 1)] | 
|---|
|  | 1653 | {exp coef:0} = { | 
|---|
|  | 1654 | 0.52770000000       1.0000000000 | 
|---|
|  | 1655 | }) | 
|---|
|  | 1656 | (type: [(am = h puream = 1)] | 
|---|
|  | 1657 | {exp coef:0} = { | 
|---|
|  | 1658 | 0.28740000000       1.0000000000 | 
|---|
|  | 1659 | }) | 
|---|
|  | 1660 | (type: [(am = i puream = 1)] | 
|---|
|  | 1661 | {exp coef:0} = { | 
|---|
|  | 1662 | 0.88900000000       1.0000000000 | 
|---|
|  | 1663 | }) | 
|---|
|  | 1664 | (type: [(am = i puream = 1)] | 
|---|
|  | 1665 | {exp coef:0} = { | 
|---|
|  | 1666 | 0.51510000000       1.0000000000 | 
|---|
|  | 1667 | }) | 
|---|
|  | 1668 | ] | 
|---|
|  | 1669 | % | 
|---|
|  | 1670 | % BASIS SET: (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i] | 
|---|
|  | 1671 | % AUGMENTING FUNCTIONS: (1s,1p,1d,1f,1g,1h,1i) | 
|---|
|  | 1672 | sulfur: "aug-cc-pV6Z": [ | 
|---|
|  | 1673 | (type: [am = s am = s am = s] | 
|---|
|  | 1674 | {exp coef:0 coef:1 coef:2} = { | 
|---|
|  | 1675 | 6297000.0000      0.16000000000E-05 -0.40000000000E-06  0.10000000000E-06 | 
|---|
|  | 1676 | 943100.00000      0.12400000000E-04 -0.34000000000E-05  0.10000000000E-05 | 
|---|
|  | 1677 | 214900.00000      0.64900000000E-04 -0.17900000000E-04  0.52000000000E-05 | 
|---|
|  | 1678 | 61250.000000      0.26930000000E-03 -0.74400000000E-04  0.21600000000E-04 | 
|---|
|  | 1679 | 20450.000000      0.93470000000E-03 -0.25870000000E-03  0.75100000000E-04 | 
|---|
|  | 1680 | 7719.0000000      0.28083000000E-02 -0.77770000000E-03  0.22580000000E-03 | 
|---|
|  | 1681 | 3198.0000000      0.76740000000E-02 -0.21396000000E-02  0.62170000000E-03 | 
|---|
|  | 1682 | 1402.0000000      0.19889800000E-01 -0.55906000000E-02  0.16251000000E-02 | 
|---|
|  | 1683 | 637.20000000      0.48258900000E-01 -0.13907600000E-01  0.40535000000E-02 | 
|---|
|  | 1684 | 298.90000000      0.10575700000     -0.31768900000E-01  0.92902000000E-02 | 
|---|
|  | 1685 | 144.30000000      0.20022300000     -0.65930200000E-01  0.19456100000E-01 | 
|---|
|  | 1686 | 71.210000000      0.30072800000     -0.11683200000      0.35004000000E-01 | 
|---|
|  | 1687 | 35.730000000      0.29868800000     -0.15978700000      0.49489700000E-01 | 
|---|
|  | 1688 | 17.970000000      0.14634700000     -0.94532200000E-01  0.30344300000E-01 | 
|---|
|  | 1689 | 8.3410000000      0.20115900000E-01  0.18782800000     -0.66366100000E-01 | 
|---|
|  | 1690 | 4.1120000000     -0.24880000000E-03  0.50468300000     -0.22315400000 | 
|---|
|  | 1691 | }) | 
|---|
|  | 1692 | (type: [am = s] | 
|---|
|  | 1693 | {exp coef:0} = { | 
|---|
|  | 1694 | 2.0450000000       1.0000000000 | 
|---|
|  | 1695 | }) | 
|---|
|  | 1696 | (type: [am = s] | 
|---|
|  | 1697 | {exp coef:0} = { | 
|---|
|  | 1698 | 0.97700000000       1.0000000000 | 
|---|
|  | 1699 | }) | 
|---|
|  | 1700 | (type: [am = s] | 
|---|
|  | 1701 | {exp coef:0} = { | 
|---|
|  | 1702 | 0.47660000000       1.0000000000 | 
|---|
|  | 1703 | }) | 
|---|
|  | 1704 | (type: [am = s] | 
|---|
|  | 1705 | {exp coef:0} = { | 
|---|
|  | 1706 | 0.21850000000       1.0000000000 | 
|---|
|  | 1707 | }) | 
|---|
|  | 1708 | (type: [am = s] | 
|---|
|  | 1709 | {exp coef:0} = { | 
|---|
|  | 1710 | 0.97590000000E-01   1.0000000000 | 
|---|
|  | 1711 | }) | 
|---|
|  | 1712 | (type: [am = s] | 
|---|
|  | 1713 | {exp coef:0} = { | 
|---|
|  | 1714 | 0.38930000000E-01   1.0000000000 | 
|---|
|  | 1715 | }) | 
|---|
|  | 1716 | (type: [am = p am = p] | 
|---|
|  | 1717 | {exp coef:0 coef:1} = { | 
|---|
|  | 1718 | 5266.0000000      0.52300000000E-04 -0.13300000000E-04 | 
|---|
|  | 1719 | 1247.0000000      0.46350000000E-03 -0.11790000000E-03 | 
|---|
|  | 1720 | 405.00000000      0.26410000000E-02 -0.67590000000E-03 | 
|---|
|  | 1721 | 154.80000000      0.11316900000E-01 -0.28973000000E-02 | 
|---|
|  | 1722 | 65.380000000      0.38470400000E-01 -0.99980000000E-02 | 
|---|
|  | 1723 | 29.590000000      0.10433900000     -0.27541600000E-01 | 
|---|
|  | 1724 | 14.040000000      0.21568400000     -0.58794300000E-01 | 
|---|
|  | 1725 | 6.8240000000      0.32526000000     -0.90376100000E-01 | 
|---|
|  | 1726 | 3.3690000000      0.32617800000     -0.99989100000E-01 | 
|---|
|  | 1727 | }) | 
|---|
|  | 1728 | (type: [am = p] | 
|---|
|  | 1729 | {exp coef:0} = { | 
|---|
|  | 1730 | 1.6660000000       1.0000000000 | 
|---|
|  | 1731 | }) | 
|---|
|  | 1732 | (type: [am = p] | 
|---|
|  | 1733 | {exp coef:0} = { | 
|---|
|  | 1734 | 0.76810000000       1.0000000000 | 
|---|
|  | 1735 | }) | 
|---|
|  | 1736 | (type: [am = p] | 
|---|
|  | 1737 | {exp coef:0} = { | 
|---|
|  | 1738 | 0.35040000000       1.0000000000 | 
|---|
|  | 1739 | }) | 
|---|
|  | 1740 | (type: [am = p] | 
|---|
|  | 1741 | {exp coef:0} = { | 
|---|
|  | 1742 | 0.15560000000       1.0000000000 | 
|---|
|  | 1743 | }) | 
|---|
|  | 1744 | (type: [am = p] | 
|---|
|  | 1745 | {exp coef:0} = { | 
|---|
|  | 1746 | 0.66810000000E-01   1.0000000000 | 
|---|
|  | 1747 | }) | 
|---|
|  | 1748 | (type: [am = p] | 
|---|
|  | 1749 | {exp coef:0} = { | 
|---|
|  | 1750 | 0.26480000000E-01   1.0000000000 | 
|---|
|  | 1751 | }) | 
|---|
|  | 1752 | (type: [(am = d puream = 1)] | 
|---|
|  | 1753 | {exp coef:0} = { | 
|---|
|  | 1754 | 5.0755000000       1.0000000000 | 
|---|
|  | 1755 | }) | 
|---|
|  | 1756 | (type: [(am = d puream = 1)] | 
|---|
|  | 1757 | {exp coef:0} = { | 
|---|
|  | 1758 | 2.1833000000       1.0000000000 | 
|---|
|  | 1759 | }) | 
|---|
|  | 1760 | (type: [(am = d puream = 1)] | 
|---|
|  | 1761 | {exp coef:0} = { | 
|---|
|  | 1762 | 0.93920000000       1.0000000000 | 
|---|
|  | 1763 | }) | 
|---|
|  | 1764 | (type: [(am = d puream = 1)] | 
|---|
|  | 1765 | {exp coef:0} = { | 
|---|
|  | 1766 | 0.40400000000       1.0000000000 | 
|---|
|  | 1767 | }) | 
|---|
|  | 1768 | (type: [(am = d puream = 1)] | 
|---|
|  | 1769 | {exp coef:0} = { | 
|---|
|  | 1770 | 0.17380000000       1.0000000000 | 
|---|
|  | 1771 | }) | 
|---|
|  | 1772 | (type: [(am = d puream = 1)] | 
|---|
|  | 1773 | {exp coef:0} = { | 
|---|
|  | 1774 | 0.69860000000E-01   1.0000000000 | 
|---|
|  | 1775 | }) | 
|---|
|  | 1776 | (type: [(am = f puream = 1)] | 
|---|
|  | 1777 | {exp coef:0} = { | 
|---|
|  | 1778 | 1.3222000000       1.0000000000 | 
|---|
|  | 1779 | }) | 
|---|
|  | 1780 | (type: [(am = f puream = 1)] | 
|---|
|  | 1781 | {exp coef:0} = { | 
|---|
|  | 1782 | 0.73190000000       1.0000000000 | 
|---|
|  | 1783 | }) | 
|---|
|  | 1784 | (type: [(am = f puream = 1)] | 
|---|
|  | 1785 | {exp coef:0} = { | 
|---|
|  | 1786 | 0.40510000000       1.0000000000 | 
|---|
|  | 1787 | }) | 
|---|
|  | 1788 | (type: [(am = f puream = 1)] | 
|---|
|  | 1789 | {exp coef:0} = { | 
|---|
|  | 1790 | 0.22430000000       1.0000000000 | 
|---|
|  | 1791 | }) | 
|---|
|  | 1792 | (type: [(am = f puream = 1)] | 
|---|
|  | 1793 | {exp coef:0} = { | 
|---|
|  | 1794 | 0.11000000000       1.0000000000 | 
|---|
|  | 1795 | }) | 
|---|
|  | 1796 | (type: [(am = g puream = 1)] | 
|---|
|  | 1797 | {exp coef:0} = { | 
|---|
|  | 1798 | 1.3473000000       1.0000000000 | 
|---|
|  | 1799 | }) | 
|---|
|  | 1800 | (type: [(am = g puream = 1)] | 
|---|
|  | 1801 | {exp coef:0} = { | 
|---|
|  | 1802 | 0.70090000000       1.0000000000 | 
|---|
|  | 1803 | }) | 
|---|
|  | 1804 | (type: [(am = g puream = 1)] | 
|---|
|  | 1805 | {exp coef:0} = { | 
|---|
|  | 1806 | 0.36470000000       1.0000000000 | 
|---|
|  | 1807 | }) | 
|---|
|  | 1808 | (type: [(am = g puream = 1)] | 
|---|
|  | 1809 | {exp coef:0} = { | 
|---|
|  | 1810 | 0.17990000000       1.0000000000 | 
|---|
|  | 1811 | }) | 
|---|
|  | 1812 | (type: [(am = h puream = 1)] | 
|---|
|  | 1813 | {exp coef:0} = { | 
|---|
|  | 1814 | 1.2861000000       1.0000000000 | 
|---|
|  | 1815 | }) | 
|---|
|  | 1816 | (type: [(am = h puream = 1)] | 
|---|
|  | 1817 | {exp coef:0} = { | 
|---|
|  | 1818 | 0.61150000000       1.0000000000 | 
|---|
|  | 1819 | }) | 
|---|
|  | 1820 | (type: [(am = h puream = 1)] | 
|---|
|  | 1821 | {exp coef:0} = { | 
|---|
|  | 1822 | 0.34650000000       1.0000000000 | 
|---|
|  | 1823 | }) | 
|---|
|  | 1824 | (type: [(am = i puream = 1)] | 
|---|
|  | 1825 | {exp coef:0} = { | 
|---|
|  | 1826 | 1.0409000000       1.0000000000 | 
|---|
|  | 1827 | }) | 
|---|
|  | 1828 | (type: [(am = i puream = 1)] | 
|---|
|  | 1829 | {exp coef:0} = { | 
|---|
|  | 1830 | 0.62220000000       1.0000000000 | 
|---|
|  | 1831 | }) | 
|---|
|  | 1832 | ] | 
|---|
|  | 1833 | % | 
|---|
|  | 1834 | % BASIS SET: (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i] | 
|---|
|  | 1835 | % AUGMENTING FUNCTIONS: (1s,1p,1d,1f,1g,1h,1i) | 
|---|
|  | 1836 | chlorine: "aug-cc-pV6Z": [ | 
|---|
|  | 1837 | (type: [am = s am = s am = s] | 
|---|
|  | 1838 | {exp coef:0 coef:1 coef:2} = { | 
|---|
|  | 1839 | 7733000.0000      0.14347400000E-05 -0.40222700000E-06  0.12169600000E-06 | 
|---|
|  | 1840 | 1158000.0000      0.11148600000E-04 -0.31244800000E-05  0.94514100000E-06 | 
|---|
|  | 1841 | 263700.00000      0.58586500000E-04 -0.16429000000E-04  0.49711900000E-05 | 
|---|
|  | 1842 | 75010.000000      0.24451800000E-03 -0.68542100000E-04  0.20732300000E-04 | 
|---|
|  | 1843 | 24890.000000      0.85828700000E-03 -0.24100100000E-03  0.72940200000E-04 | 
|---|
|  | 1844 | 9318.0000000      0.26101900000E-02 -0.73353800000E-03  0.22189900000E-03 | 
|---|
|  | 1845 | 3840.0000000      0.71378400000E-02 -0.20183000000E-02  0.61135500000E-03 | 
|---|
|  | 1846 | 1684.0000000      0.18456400000E-01 -0.52610700000E-02  0.15933700000E-02 | 
|---|
|  | 1847 | 766.30000000      0.44894400000E-01 -0.13098600000E-01  0.39800100000E-02 | 
|---|
|  | 1848 | 359.50000000      0.99382200000E-01 -0.30179400000E-01  0.91937500000E-02 | 
|---|
|  | 1849 | 173.40000000      0.19078200000     -0.63188800000E-01  0.19439900000E-01 | 
|---|
|  | 1850 | 85.610000000      0.29356500000     -0.11385900000      0.35518700000E-01 | 
|---|
|  | 1851 | 42.930000000      0.30647700000     -0.16125100000      0.52067400000E-01 | 
|---|
|  | 1852 | 21.550000000      0.16220900000     -0.10923400000      0.36564400000E-01 | 
|---|
|  | 1853 | 10.050000000      0.24938300000E-01  0.16299900000     -0.59750000000E-01 | 
|---|
|  | 1854 | 4.9780000000     -0.51314200000E-03  0.50141300000     -0.23164100000 | 
|---|
|  | 1855 | }) | 
|---|
|  | 1856 | (type: [am = s] | 
|---|
|  | 1857 | {exp coef:0} = { | 
|---|
|  | 1858 | 2.4780000000       1.0000000000 | 
|---|
|  | 1859 | }) | 
|---|
|  | 1860 | (type: [am = s] | 
|---|
|  | 1861 | {exp coef:0} = { | 
|---|
|  | 1862 | 1.1800000000       1.0000000000 | 
|---|
|  | 1863 | }) | 
|---|
|  | 1864 | (type: [am = s] | 
|---|
|  | 1865 | {exp coef:0} = { | 
|---|
|  | 1866 | 0.58280000000       1.0000000000 | 
|---|
|  | 1867 | }) | 
|---|
|  | 1868 | (type: [am = s] | 
|---|
|  | 1869 | {exp coef:0} = { | 
|---|
|  | 1870 | 0.26680000000       1.0000000000 | 
|---|
|  | 1871 | }) | 
|---|
|  | 1872 | (type: [am = s] | 
|---|
|  | 1873 | {exp coef:0} = { | 
|---|
|  | 1874 | 0.11830000000       1.0000000000 | 
|---|
|  | 1875 | }) | 
|---|
|  | 1876 | (type: [am = s] | 
|---|
|  | 1877 | {exp coef:0} = { | 
|---|
|  | 1878 | 0.46250000000E-01   1.0000000000 | 
|---|
|  | 1879 | }) | 
|---|
|  | 1880 | (type: [am = p am = p] | 
|---|
|  | 1881 | {exp coef:0 coef:1} = { | 
|---|
|  | 1882 | 6091.0000000      0.51619400000E-04 -0.13925900000E-04 | 
|---|
|  | 1883 | 1442.0000000      0.45846800000E-03 -0.12332400000E-03 | 
|---|
|  | 1884 | 468.30000000      0.26150900000E-02 -0.70755100000E-03 | 
|---|
|  | 1885 | 179.00000000      0.11255400000E-01 -0.30493900000E-02 | 
|---|
|  | 1886 | 75.610000000      0.38457700000E-01 -0.10575200000E-01 | 
|---|
|  | 1887 | 34.220000000      0.10508100000     -0.29409400000E-01 | 
|---|
|  | 1888 | 16.230000000      0.21860300000     -0.63229600000E-01 | 
|---|
|  | 1889 | 7.8900000000      0.33087400000     -0.98187000000E-01 | 
|---|
|  | 1890 | 3.8980000000      0.32587900000     -0.10587000000 | 
|---|
|  | 1891 | }) | 
|---|
|  | 1892 | (type: [am = p] | 
|---|
|  | 1893 | {exp coef:0} = { | 
|---|
|  | 1894 | 1.9330000000       1.0000000000 | 
|---|
|  | 1895 | }) | 
|---|
|  | 1896 | (type: [am = p] | 
|---|
|  | 1897 | {exp coef:0} = { | 
|---|
|  | 1898 | 0.90570000000       1.0000000000 | 
|---|
|  | 1899 | }) | 
|---|
|  | 1900 | (type: [am = p] | 
|---|
|  | 1901 | {exp coef:0} = { | 
|---|
|  | 1902 | 0.41400000000       1.0000000000 | 
|---|
|  | 1903 | }) | 
|---|
|  | 1904 | (type: [am = p] | 
|---|
|  | 1905 | {exp coef:0} = { | 
|---|
|  | 1906 | 0.18360000000       1.0000000000 | 
|---|
|  | 1907 | }) | 
|---|
|  | 1908 | (type: [am = p] | 
|---|
|  | 1909 | {exp coef:0} = { | 
|---|
|  | 1910 | 0.78590000000E-01   1.0000000000 | 
|---|
|  | 1911 | }) | 
|---|
|  | 1912 | (type: [am = p] | 
|---|
|  | 1913 | {exp coef:0} = { | 
|---|
|  | 1914 | 0.31630000000E-01   1.0000000000 | 
|---|
|  | 1915 | }) | 
|---|
|  | 1916 | (type: [(am = d puream = 1)] | 
|---|
|  | 1917 | {exp coef:0} = { | 
|---|
|  | 1918 | 6.2428000000       1.0000000000 | 
|---|
|  | 1919 | }) | 
|---|
|  | 1920 | (type: [(am = d puream = 1)] | 
|---|
|  | 1921 | {exp coef:0} = { | 
|---|
|  | 1922 | 2.6906000000       1.0000000000 | 
|---|
|  | 1923 | }) | 
|---|
|  | 1924 | (type: [(am = d puream = 1)] | 
|---|
|  | 1925 | {exp coef:0} = { | 
|---|
|  | 1926 | 1.1596000000       1.0000000000 | 
|---|
|  | 1927 | }) | 
|---|
|  | 1928 | (type: [(am = d puream = 1)] | 
|---|
|  | 1929 | {exp coef:0} = { | 
|---|
|  | 1930 | 0.49980000000       1.0000000000 | 
|---|
|  | 1931 | }) | 
|---|
|  | 1932 | (type: [(am = d puream = 1)] | 
|---|
|  | 1933 | {exp coef:0} = { | 
|---|
|  | 1934 | 0.21540000000       1.0000000000 | 
|---|
|  | 1935 | }) | 
|---|
|  | 1936 | (type: [(am = d puream = 1)] | 
|---|
|  | 1937 | {exp coef:0} = { | 
|---|
|  | 1938 | 0.88850000000E-01   1.0000000000 | 
|---|
|  | 1939 | }) | 
|---|
|  | 1940 | (type: [(am = f puream = 1)] | 
|---|
|  | 1941 | {exp coef:0} = { | 
|---|
|  | 1942 | 2.5327000000       1.0000000000 | 
|---|
|  | 1943 | }) | 
|---|
|  | 1944 | (type: [(am = f puream = 1)] | 
|---|
|  | 1945 | {exp coef:0} = { | 
|---|
|  | 1946 | 1.2406000000       1.0000000000 | 
|---|
|  | 1947 | }) | 
|---|
|  | 1948 | (type: [(am = f puream = 1)] | 
|---|
|  | 1949 | {exp coef:0} = { | 
|---|
|  | 1950 | 0.60770000000       1.0000000000 | 
|---|
|  | 1951 | }) | 
|---|
|  | 1952 | (type: [(am = f puream = 1)] | 
|---|
|  | 1953 | {exp coef:0} = { | 
|---|
|  | 1954 | 0.29770000000       1.0000000000 | 
|---|
|  | 1955 | }) | 
|---|
|  | 1956 | (type: [(am = f puream = 1)] | 
|---|
|  | 1957 | {exp coef:0} = { | 
|---|
|  | 1958 | 0.14650000000       1.0000000000 | 
|---|
|  | 1959 | }) | 
|---|
|  | 1960 | (type: [(am = g puream = 1)] | 
|---|
|  | 1961 | {exp coef:0} = { | 
|---|
|  | 1962 | 1.5388000000       1.0000000000 | 
|---|
|  | 1963 | }) | 
|---|
|  | 1964 | (type: [(am = g puream = 1)] | 
|---|
|  | 1965 | {exp coef:0} = { | 
|---|
|  | 1966 | 0.80500000000       1.0000000000 | 
|---|
|  | 1967 | }) | 
|---|
|  | 1968 | (type: [(am = g puream = 1)] | 
|---|
|  | 1969 | {exp coef:0} = { | 
|---|
|  | 1970 | 0.42120000000       1.0000000000 | 
|---|
|  | 1971 | }) | 
|---|
|  | 1972 | (type: [(am = g puream = 1)] | 
|---|
|  | 1973 | {exp coef:0} = { | 
|---|
|  | 1974 | 0.21770000000       1.0000000000 | 
|---|
|  | 1975 | }) | 
|---|
|  | 1976 | (type: [(am = h puream = 1)] | 
|---|
|  | 1977 | {exp coef:0} = { | 
|---|
|  | 1978 | 1.5613000000       1.0000000000 | 
|---|
|  | 1979 | }) | 
|---|
|  | 1980 | (type: [(am = h puream = 1)] | 
|---|
|  | 1981 | {exp coef:0} = { | 
|---|
|  | 1982 | 0.73970000000       1.0000000000 | 
|---|
|  | 1983 | }) | 
|---|
|  | 1984 | (type: [(am = h puream = 1)] | 
|---|
|  | 1985 | {exp coef:0} = { | 
|---|
|  | 1986 | 0.43650000000       1.0000000000 | 
|---|
|  | 1987 | }) | 
|---|
|  | 1988 | (type: [(am = i puream = 1)] | 
|---|
|  | 1989 | {exp coef:0} = { | 
|---|
|  | 1990 | 1.2572000000       1.0000000000 | 
|---|
|  | 1991 | }) | 
|---|
|  | 1992 | (type: [(am = i puream = 1)] | 
|---|
|  | 1993 | {exp coef:0} = { | 
|---|
|  | 1994 | 0.80740000000       1.0000000000 | 
|---|
|  | 1995 | }) | 
|---|
|  | 1996 | ] | 
|---|
|  | 1997 | % | 
|---|
|  | 1998 | % BASIS SET: (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i] | 
|---|
|  | 1999 | % AUGMENTING FUNCTIONS: (1s,1p,1d,1f,1g,1h,1i) | 
|---|
|  | 2000 | argon: "aug-cc-pV6Z": [ | 
|---|
|  | 2001 | (type: [am = s am = s am = s] | 
|---|
|  | 2002 | {exp coef:0 coef:1 coef:2} = { | 
|---|
|  | 2003 | 9149000.0000      0.13000000000E-05 -0.40000000000E-06  0.10000000000E-06 | 
|---|
|  | 2004 | 1370000.0000      0.10400000000E-04 -0.30000000000E-05  0.90000000000E-06 | 
|---|
|  | 2005 | 311900.00000      0.54900000000E-04 -0.15600000000E-04  0.49000000000E-05 | 
|---|
|  | 2006 | 88650.000000      0.22960000000E-03 -0.65200000000E-04  0.20400000000E-04 | 
|---|
|  | 2007 | 29330.000000      0.81030000000E-03 -0.23040000000E-03  0.72000000000E-04 | 
|---|
|  | 2008 | 10930.000000      0.24853000000E-02 -0.70750000000E-03  0.22100000000E-03 | 
|---|
|  | 2009 | 4480.0000000      0.68369000000E-02 -0.19573000000E-02  0.61250000000E-03 | 
|---|
|  | 2010 | 1962.0000000      0.17619900000E-01 -0.50856000000E-02  0.15908000000E-02 | 
|---|
|  | 2011 | 894.10000000      0.42875200000E-01 -0.12652800000E-01  0.39722000000E-02 | 
|---|
|  | 2012 | 419.60000000      0.95485300000E-01 -0.29306500000E-01  0.92204000000E-02 | 
|---|
|  | 2013 | 202.30000000      0.18506400000     -0.61771200000E-01  0.19636700000E-01 | 
|---|
|  | 2014 | 99.840000000      0.28904200000     -0.11254100000      0.36257000000E-01 | 
|---|
|  | 2015 | 50.070000000      0.31016600000     -0.16229300000      0.54172500000E-01 | 
|---|
|  | 2016 | 25.140000000      0.17218300000     -0.11841200000      0.40999600000E-01 | 
|---|
|  | 2017 | 11.810000000      0.28522700000E-01  0.14614800000     -0.55174400000E-01 | 
|---|
|  | 2018 | 5.8820000000     -0.57570000000E-03  0.49775200000     -0.23875400000 | 
|---|
|  | 2019 | }) | 
|---|
|  | 2020 | (type: [am = s] | 
|---|
|  | 2021 | {exp coef:0} = { | 
|---|
|  | 2022 | 2.9390000000       1.0000000000 | 
|---|
|  | 2023 | }) | 
|---|
|  | 2024 | (type: [am = s] | 
|---|
|  | 2025 | {exp coef:0} = { | 
|---|
|  | 2026 | 1.4050000000       1.0000000000 | 
|---|
|  | 2027 | }) | 
|---|
|  | 2028 | (type: [am = s] | 
|---|
|  | 2029 | {exp coef:0} = { | 
|---|
|  | 2030 | 0.69630000000       1.0000000000 | 
|---|
|  | 2031 | }) | 
|---|
|  | 2032 | (type: [am = s] | 
|---|
|  | 2033 | {exp coef:0} = { | 
|---|
|  | 2034 | 0.31880000000       1.0000000000 | 
|---|
|  | 2035 | }) | 
|---|
|  | 2036 | (type: [am = s] | 
|---|
|  | 2037 | {exp coef:0} = { | 
|---|
|  | 2038 | 0.14100000000       1.0000000000 | 
|---|
|  | 2039 | }) | 
|---|
|  | 2040 | (type: [am = s] | 
|---|
|  | 2041 | {exp coef:0} = { | 
|---|
|  | 2042 | 0.53570000000E-01   1.0000000000 | 
|---|
|  | 2043 | }) | 
|---|
|  | 2044 | (type: [am = p am = p] | 
|---|
|  | 2045 | {exp coef:0 coef:1} = { | 
|---|
|  | 2046 | 7050.0000000      0.50200000000E-04 -0.14000000000E-04 | 
|---|
|  | 2047 | 1669.0000000      0.44540000000E-03 -0.12430000000E-03 | 
|---|
|  | 2048 | 542.10000000      0.25480000000E-02 -0.71470000000E-03 | 
|---|
|  | 2049 | 207.10000000      0.11015500000E-01 -0.30968000000E-02 | 
|---|
|  | 2050 | 87.520000000      0.37849000000E-01 -0.10796100000E-01 | 
|---|
|  | 2051 | 39.610000000      0.10435500000     -0.30353600000E-01 | 
|---|
|  | 2052 | 18.780000000      0.21933500000     -0.65978500000E-01 | 
|---|
|  | 2053 | 9.1300000000      0.33461500000     -0.10387700000 | 
|---|
|  | 2054 | 4.5160000000      0.32677100000     -0.10995600000 | 
|---|
|  | 2055 | }) | 
|---|
|  | 2056 | (type: [am = p] | 
|---|
|  | 2057 | {exp coef:0} = { | 
|---|
|  | 2058 | 2.2450000000       1.0000000000 | 
|---|
|  | 2059 | }) | 
|---|
|  | 2060 | (type: [am = p] | 
|---|
|  | 2061 | {exp coef:0} = { | 
|---|
|  | 2062 | 1.0650000000       1.0000000000 | 
|---|
|  | 2063 | }) | 
|---|
|  | 2064 | (type: [am = p] | 
|---|
|  | 2065 | {exp coef:0} = { | 
|---|
|  | 2066 | 0.48850000000       1.0000000000 | 
|---|
|  | 2067 | }) | 
|---|
|  | 2068 | (type: [am = p] | 
|---|
|  | 2069 | {exp coef:0} = { | 
|---|
|  | 2070 | 0.21660000000       1.0000000000 | 
|---|
|  | 2071 | }) | 
|---|
|  | 2072 | (type: [am = p] | 
|---|
|  | 2073 | {exp coef:0} = { | 
|---|
|  | 2074 | 0.92550000000E-01   1.0000000000 | 
|---|
|  | 2075 | }) | 
|---|
|  | 2076 | (type: [am = p] | 
|---|
|  | 2077 | {exp coef:0} = { | 
|---|
|  | 2078 | 0.36780000000E-01   1.0000000000 | 
|---|
|  | 2079 | }) | 
|---|
|  | 2080 | (type: [(am = d puream = 1)] | 
|---|
|  | 2081 | {exp coef:0} = { | 
|---|
|  | 2082 | 7.6327000000       1.0000000000 | 
|---|
|  | 2083 | }) | 
|---|
|  | 2084 | (type: [(am = d puream = 1)] | 
|---|
|  | 2085 | {exp coef:0} = { | 
|---|
|  | 2086 | 3.2876000000       1.0000000000 | 
|---|
|  | 2087 | }) | 
|---|
|  | 2088 | (type: [(am = d puream = 1)] | 
|---|
|  | 2089 | {exp coef:0} = { | 
|---|
|  | 2090 | 1.4160000000       1.0000000000 | 
|---|
|  | 2091 | }) | 
|---|
|  | 2092 | (type: [(am = d puream = 1)] | 
|---|
|  | 2093 | {exp coef:0} = { | 
|---|
|  | 2094 | 0.60990000000       1.0000000000 | 
|---|
|  | 2095 | }) | 
|---|
|  | 2096 | (type: [(am = d puream = 1)] | 
|---|
|  | 2097 | {exp coef:0} = { | 
|---|
|  | 2098 | 0.26270000000       1.0000000000 | 
|---|
|  | 2099 | }) | 
|---|
|  | 2100 | (type: [(am = d puream = 1)] | 
|---|
|  | 2101 | {exp coef:0} = { | 
|---|
|  | 2102 | 0.10780000000       1.0000000000 | 
|---|
|  | 2103 | }) | 
|---|
|  | 2104 | (type: [(am = f puream = 1)] | 
|---|
|  | 2105 | {exp coef:0} = { | 
|---|
|  | 2106 | 3.0582000000       1.0000000000 | 
|---|
|  | 2107 | }) | 
|---|
|  | 2108 | (type: [(am = f puream = 1)] | 
|---|
|  | 2109 | {exp coef:0} = { | 
|---|
|  | 2110 | 1.5292000000       1.0000000000 | 
|---|
|  | 2111 | }) | 
|---|
|  | 2112 | (type: [(am = f puream = 1)] | 
|---|
|  | 2113 | {exp coef:0} = { | 
|---|
|  | 2114 | 0.76470000000       1.0000000000 | 
|---|
|  | 2115 | }) | 
|---|
|  | 2116 | (type: [(am = f puream = 1)] | 
|---|
|  | 2117 | {exp coef:0} = { | 
|---|
|  | 2118 | 0.38240000000       1.0000000000 | 
|---|
|  | 2119 | }) | 
|---|
|  | 2120 | (type: [(am = f puream = 1)] | 
|---|
|  | 2121 | {exp coef:0} = { | 
|---|
|  | 2122 | 0.18300000000       1.0000000000 | 
|---|
|  | 2123 | }) | 
|---|
|  | 2124 | (type: [(am = g puream = 1)] | 
|---|
|  | 2125 | {exp coef:0} = { | 
|---|
|  | 2126 | 1.8450000000       1.0000000000 | 
|---|
|  | 2127 | }) | 
|---|
|  | 2128 | (type: [(am = g puream = 1)] | 
|---|
|  | 2129 | {exp coef:0} = { | 
|---|
|  | 2130 | 0.96570000000       1.0000000000 | 
|---|
|  | 2131 | }) | 
|---|
|  | 2132 | (type: [(am = g puream = 1)] | 
|---|
|  | 2133 | {exp coef:0} = { | 
|---|
|  | 2134 | 0.50550000000       1.0000000000 | 
|---|
|  | 2135 | }) | 
|---|
|  | 2136 | (type: [(am = g puream = 1)] | 
|---|
|  | 2137 | {exp coef:0} = { | 
|---|
|  | 2138 | 0.25550000000       1.0000000000 | 
|---|
|  | 2139 | }) | 
|---|
|  | 2140 | (type: [(am = h puream = 1)] | 
|---|
|  | 2141 | {exp coef:0} = { | 
|---|
|  | 2142 | 1.8743000000       1.0000000000 | 
|---|
|  | 2143 | }) | 
|---|
|  | 2144 | (type: [(am = h puream = 1)] | 
|---|
|  | 2145 | {exp coef:0} = { | 
|---|
|  | 2146 | 0.88710000000       1.0000000000 | 
|---|
|  | 2147 | }) | 
|---|
|  | 2148 | (type: [(am = h puream = 1)] | 
|---|
|  | 2149 | {exp coef:0} = { | 
|---|
|  | 2150 | 0.52650000000       1.0000000000 | 
|---|
|  | 2151 | }) | 
|---|
|  | 2152 | (type: [(am = i puream = 1)] | 
|---|
|  | 2153 | {exp coef:0} = { | 
|---|
|  | 2154 | 1.5066000000       1.0000000000 | 
|---|
|  | 2155 | }) | 
|---|
|  | 2156 | (type: [(am = i puream = 1)] | 
|---|
|  | 2157 | {exp coef:0} = { | 
|---|
|  | 2158 | 0.99260000000       1.0000000000 | 
|---|
|  | 2159 | }) | 
|---|
|  | 2160 | ] | 
|---|
|  | 2161 | ) | 
|---|