| 1 | %BASIS "MIDI (Huzinaga)" CARTESIAN
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| 2 | basis:(
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| 3 | %S. HUZINAGA, ED.,J. ANDZELM, M. KLOBUKOWSKI, E. RADZIO-ANDZELM, Y. SAKAI,
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| 4 | % H. TATEWAKI IN GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS:
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| 5 | % ELSEVIER, AMSTERDAM, 1984.
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| 6 | %
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| 7 | %
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| 8 | % BASIS SET: (3S) -> [2S]
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| 9 | hydrogen: "MIDI (Huzinaga)": [
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| 10 | (type: [am = s]
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| 11 | {exp coef:0} = {
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| 12 | 4.501800000 0.07045200
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| 13 | 0.681444000 0.40782600
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| 14 | })
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| 15 | (type: [am = s]
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| 16 | {exp coef:0} = {
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| 17 | 0.151398000 1.00000000
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| 18 | })
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| 19 | ]
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| 20 | %
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| 21 | % BASIS SET: (3S) -> [1S]
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| 22 | helium: "MIDI (Huzinaga)": [
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| 23 | (type: [am = s]
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| 24 | {exp coef:0} = {
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| 25 | 13.626736000 0.08024100
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| 26 | 1.999349000 0.40914300
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| 27 | })
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| 28 | (type: [am = s]
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| 29 | {exp coef:0} = {
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| 30 | 0.382993000 0.65727800
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| 31 | })
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| 32 | ]
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| 33 | %
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| 34 | % BASIS SET: (6S) -> [3S]
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| 35 | lithium: "MIDI (Huzinaga)": [
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| 36 | (type: [am = s]
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| 37 | {exp coef:0} = {
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| 38 | 35.046150000 0.07376000
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| 39 | 5.201690000 0.39747100
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| 40 | 1.056240000 0.66509200
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| 41 | })
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| 42 | (type: [am = s]
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| 43 | {exp coef:0} = {
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| 44 | 0.715170000 -0.09397000
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| 45 | 0.070530000 0.57010000
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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 | 0.027350000 1.00000000
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| 50 | })
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| 51 | ]
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| 52 | %
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| 53 | % BASIS SET: (6S) -> [3S]
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| 54 | beryllium: "MIDI (Huzinaga)": [
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| 55 | (type: [am = s]
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| 56 | {exp coef:0} = {
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| 57 | 66.953540000 0.07020000
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| 58 | 9.939290000 0.39191000
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| 59 | 2.057130000 0.66997000
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| 60 | })
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| 61 | (type: [am = s]
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| 62 | {exp coef:0} = {
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| 63 | 1.912210000 -0.08282000
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| 64 | 0.161320000 0.55755300
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| 65 | })
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| 66 | (type: [am = s]
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| 67 | {exp coef:0} = {
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| 68 | 0.055240000 1.00000000
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| 69 | })
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| 70 | ]
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| 71 | %
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| 72 | % BASIS SET: (6S,3P) -> [3S,2P]
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| 73 | boron: "MIDI (Huzinaga)": [
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| 74 | (type: [am = s]
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| 75 | {exp coef:0} = {
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| 76 | 108.437040000 0.06865100
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| 77 | 16.120560000 0.38993300
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| 78 | 3.373430000 0.67139500
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| 79 | })
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| 80 | (type: [am = s]
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| 81 | {exp coef:0} = {
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| 82 | 3.566500000 -0.08241900
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| 83 | 0.295470000 0.55906400
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| 84 | })
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| 85 | (type: [am = s]
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| 86 | {exp coef:0} = {
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| 87 | 0.098050000 1.00000000
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| 88 | })
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| 89 | (type: [am = p]
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| 90 | {exp coef:0} = {
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| 91 | 2.572072000 0.10590000
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| 92 | 0.516940000 0.45718000
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| 93 | })
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| 94 | (type: [am = p]
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| 95 | {exp coef:0} = {
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| 96 | 0.123140000 1.00000000
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| 97 | })
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| 98 | ]
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| 99 | %
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| 100 | % BASIS SET: (6S,3P) -> [3S,2P]
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| 101 | carbon: "MIDI (Huzinaga)": [
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| 102 | (type: [am = s]
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| 103 | {exp coef:0} = {
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| 104 | 153.172260000 0.07074000
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| 105 | 23.073030000 0.39538000
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| 106 | 4.923290000 0.66331100
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| 107 | })
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| 108 | (type: [am = s]
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| 109 | {exp coef:0} = {
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| 110 | 5.725570000 -0.08138000
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| 111 | 0.455040000 0.57485300
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| 112 | })
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| 113 | (type: [am = s]
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| 114 | {exp coef:0} = {
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| 115 | 0.147070000 1.00000000
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| 116 | })
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| 117 | (type: [am = p]
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| 118 | {exp coef:0} = {
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| 119 | 4.251310000 0.10993100
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| 120 | 0.863270000 0.46271300
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| 121 | })
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| 122 | (type: [am = p]
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| 123 | {exp coef:0} = {
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| 124 | 0.201350000 1.00000000
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| 125 | })
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| 126 | ]
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| 127 | %
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| 128 | % BASIS SET: (6S,3P) -> [3S,2P]
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| 129 | nitrogen: "MIDI (Huzinaga)": [
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| 130 | (type: [am = s]
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| 131 | {exp coef:0} = {
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| 132 | 218.364490000 0.06787000
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| 133 | 32.598890000 0.39020200
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| 134 | 6.917390000 0.67008300
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| 135 | })
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| 136 | (type: [am = s]
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| 137 | {exp coef:0} = {
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| 138 | 8.326380000 -0.08089000
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| 139 | 0.659190000 0.56720200
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| 140 | })
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| 141 | (type: [am = s]
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| 142 | {exp coef:0} = {
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| 143 | 0.210090000 1.00000000
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| 144 | })
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| 145 | (type: [am = p]
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| 146 | {exp coef:0} = {
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| 147 | 6.120350000 0.11591900
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| 148 | 1.259380000 0.46995800
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| 149 | })
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| 150 | (type: [am = p]
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| 151 | {exp coef:0} = {
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| 152 | 0.291450000 1.00000000
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| 153 | })
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| 154 | ]
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| 155 | %
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| 156 | % BASIS SET: (6S,3P) -> [3S,2P]
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| 157 | oxygen: "MIDI (Huzinaga)": [
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| 158 | (type: [am = s]
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| 159 | {exp coef:0} = {
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| 160 | 281.866580000 0.06906000
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| 161 | 42.416000000 0.39315900
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| 162 | 9.095620000 0.66566900
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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 | 11.466030000 -0.08082000
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| 167 | 0.887860000 0.58209000
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| 168 | })
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| 169 | (type: [am = s]
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| 170 | {exp coef:0} = {
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| 171 | 0.278800000 1.00000000
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| 172 | })
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| 173 | (type: [am = p]
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| 174 | {exp coef:0} = {
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| 175 | 8.047240000 0.12427100
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| 176 | 1.668420000 0.47659400
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| 177 | })
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| 178 | (type: [am = p]
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| 179 | {exp coef:0} = {
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| 180 | 0.372510000 1.00000000
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| 181 | })
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| 182 | ]
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| 183 | %
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| 184 | % BASIS SET: (6S,3P) -> [3S,2P]
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| 185 | fluorine: "MIDI (Huzinaga)": [
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| 186 | (type: [am = s]
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| 187 | {exp coef:0} = {
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| 188 | 368.371120000 0.06704000
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| 189 | 55.061060000 0.38924900
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| 190 | 11.747670000 0.67078800
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| 191 | })
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| 192 | (type: [am = s]
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| 193 | {exp coef:0} = {
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| 194 | 15.151840000 -0.08055000
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| 195 | 1.151370000 0.58772900
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| 196 | })
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| 197 | (type: [am = s]
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| 198 | {exp coef:0} = {
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| 199 | 0.358110000 1.00000000
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| 200 | })
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| 201 | (type: [am = p]
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| 202 | {exp coef:0} = {
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| 203 | 10.577070000 0.12627000
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| 204 | 2.194980000 0.47794800
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| 205 | })
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| 206 | (type: [am = p]
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| 207 | {exp coef:0} = {
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| 208 | 0.479370000 1.00000000
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| 209 | })
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| 210 | ]
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| 211 | %
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| 212 | % BASIS SET: (6S,3P) -> [3S,2P]
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| 213 | neon: "MIDI (Huzinaga)": [
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| 214 | (type: [am = s]
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| 215 | {exp coef:0} = {
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| 216 | 456.952850000 0.06691000
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| 217 | 68.365430000 0.38934900
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| 218 | 14.619760000 0.67051800
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| 219 | })
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| 220 | (type: [am = s]
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| 221 | {exp coef:0} = {
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| 222 | 19.327190000 -0.08025000
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| 223 | 1.441820000 0.59529800
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| 224 | })
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| 225 | (type: [am = s]
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| 226 | {exp coef:0} = {
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| 227 | 0.444080000 1.00000000
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| 228 | })
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| 229 | (type: [am = p]
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| 230 | {exp coef:0} = {
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| 231 | 13.352520000 0.12884000
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| 232 | 2.779470000 0.48044100
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| 233 | })
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| 234 | (type: [am = p]
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| 235 | {exp coef:0} = {
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| 236 | 0.600970000 1.00000000
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| 237 | })
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| 238 | ]
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| 239 | %
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| 240 | % BASIS SET: (9S,3P) -> [4S,1P]
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| 241 | sodium: "MIDI (Huzinaga)": [
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| 242 | (type: [am = s]
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| 243 | {exp coef:0} = {
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| 244 | 542.760530000 0.06841000
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| 245 | 81.959470000 0.39209200
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| 246 | 17.723770000 0.66608400
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| 247 | })
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| 248 | (type: [am = s]
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| 249 | {exp coef:0} = {
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| 250 | 23.280420000 -0.08380100
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| 251 | 1.868340000 0.58279400
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| 252 | 0.623250000 0.49247400
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| 253 | })
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| 254 | (type: [am = s]
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| 255 | {exp coef:0} = {
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| 256 | 0.506730000 -0.11576200
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| 257 | 0.053510000 0.69586300
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| 258 | })
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| 259 | (type: [am = s]
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| 260 | {exp coef:0} = {
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| 261 | 0.020800000 1.00000000
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| 262 | })
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| 263 | (type: [am = p]
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| 264 | {exp coef:0} = {
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| 265 | 17.836360000 0.12571000
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| 266 | 3.795690000 0.48046100
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| 267 | 0.877510000 0.60228100
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| 268 | })
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| 269 | ]
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| 270 | %
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| 271 | % BASIS SET: (9S,6P) -> [4S,3P]
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| 272 | aluminum: "MIDI (Huzinaga)": [
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| 273 | (type: [am = s]
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| 274 | {exp coef:0} = {
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| 275 | 777.443340000 0.06688700
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| 276 | 117.231530000 0.38776800
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| 277 | 25.376297000 0.67070300
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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 | 33.356253000 -0.08895600
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| 282 | 2.801315000 0.60106100
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| 283 | 1.022733000 0.46878600
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| 284 | })
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| 285 | (type: [am = s]
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| 286 | {exp coef:0} = {
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| 287 | 1.329188000 -0.15138900
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| 288 | 0.161663000 0.65938600
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| 289 | })
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| 290 | (type: [am = s]
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| 291 | {exp coef:0} = {
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| 292 | 0.058989000 1.00000000
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| 293 | })
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| 294 | (type: [am = p]
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| 295 | {exp coef:0} = {
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| 296 | 30.569580000 0.11235300
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| 297 | 6.644701000 0.46746700
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| 298 | 1.654395000 0.60978200
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| 299 | })
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| 300 | (type: [am = p]
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| 301 | {exp coef:0} = {
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| 302 | 0.044652000 0.39647000
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| 303 | 0.299651000 0.22643300
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| 304 | })
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| 305 | (type: [am = p]
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| 306 | {exp coef:0} = {
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| 307 | 0.115848000 1.00000000
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| 308 | })
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| 309 | ]
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| 310 | %
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| 311 | % BASIS SET: (9S,6P) -> [4S,3P]
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| 312 | silicon: "MIDI (Huzinaga)": [
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| 313 | (type: [am = s]
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| 314 | {exp coef:0} = {
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| 315 | 909.234870000 0.06640500
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| 316 | 137.124560000 0.38622200
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| 317 | 29.714810000 0.67224000
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| 318 | })
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| 319 | (type: [am = s]
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| 320 | {exp coef:0} = {
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| 321 | 39.129423000 -0.09099900
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| 322 | 3.335981000 0.61161500
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| 323 | 1.251259000 0.45686000
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| 324 | })
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| 325 | (type: [am = s]
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| 326 | {exp coef:0} = {
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| 327 | 1.803101000 -0.16873300
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| 328 | 0.226389000 0.67545300
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| 329 | })
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| 330 | (type: [am = s]
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| 331 | {exp coef:0} = {
|
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| 332 | 0.082396000 1.00000000
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| 333 | })
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| 334 | (type: [am = p]
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| 335 | {exp coef:0} = {
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| 336 | 37.881761000 0.10875300
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| 337 | 8.304598000 0.46351500
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| 338 | 2.120792000 0.61133400
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| 339 | })
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| 340 | (type: [am = p]
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| 341 | {exp coef:0} = {
|
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| 342 | 0.447802000 0.23891300
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| 343 | 0.062362000 0.34545300
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| 344 | })
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| 345 | (type: [am = p]
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| 346 | {exp coef:0} = {
|
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| 347 | 0.170838000 1.00000000
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| 348 | })
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| 349 | ]
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| 350 | %
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| 351 | % BASIS SET: (9S,6P) -> [4S,3P]
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| 352 | phosphorus: "MIDI (Huzinaga)": [
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| 353 | (type: [am = s]
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| 354 | {exp coef:0} = {
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|---|
| 355 | 1053.265800000 0.06586500
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| 356 | 158.790440000 0.38457800
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| 357 | 34.424407000 0.67396300
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| 358 | })
|
|---|
| 359 | (type: [am = s]
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|---|
| 360 | {exp coef:0} = {
|
|---|
| 361 | 45.450380000 -0.09265500
|
|---|
| 362 | 3.899926000 0.62651300
|
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| 363 | 1.488507000 0.44103900
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| 364 | })
|
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| 365 | (type: [am = s]
|
|---|
| 366 | {exp coef:0} = {
|
|---|
| 367 | 2.300841000 -0.18054900
|
|---|
| 368 | 0.298959000 0.68095200
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|---|
| 369 | })
|
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| 370 | (type: [am = s]
|
|---|
| 371 | {exp coef:0} = {
|
|---|
| 372 | 0.108854000 1.00000000
|
|---|
| 373 | })
|
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| 374 | (type: [am = p]
|
|---|
| 375 | {exp coef:0} = {
|
|---|
| 376 | 46.100019000 0.10538800
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| 377 | 10.165057000 0.45971200
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| 378 | 2.644794000 0.61371400
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| 379 | })
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| 380 | (type: [am = p]
|
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| 381 | {exp coef:0} = {
|
|---|
| 382 | 0.632686000 0.23588500
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| 383 | 0.240219000 0.55416000
|
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| 384 | })
|
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| 385 | (type: [am = p]
|
|---|
| 386 | {exp coef:0} = {
|
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| 387 | 0.086447000 1.00000000
|
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| 388 | })
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| 389 | ]
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| 390 | %
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| 391 | % BASIS SET: (9S,6P) -> [4S,3P]
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| 392 | sulfur: "MIDI (Huzinaga)": [
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| 393 | (type: [am = s]
|
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| 394 | {exp coef:0} = {
|
|---|
| 395 | 1201.458400000 0.06576500
|
|---|
| 396 | 181.392120000 0.38394800
|
|---|
| 397 | 39.404795000 0.67437200
|
|---|
| 398 | })
|
|---|
| 399 | (type: [am = s]
|
|---|
| 400 | {exp coef:0} = {
|
|---|
| 401 | 52.139030000 -0.09423200
|
|---|
| 402 | 4.528799000 0.63546800
|
|---|
| 403 | 1.754938000 0.43150600
|
|---|
| 404 | })
|
|---|
| 405 | (type: [am = s]
|
|---|
| 406 | {exp coef:0} = {
|
|---|
| 407 | 2.840437000 0.19004200
|
|---|
| 408 | 0.381433000 -0.68552700
|
|---|
| 409 | })
|
|---|
| 410 | (type: [am = s]
|
|---|
| 411 | {exp coef:0} = {
|
|---|
| 412 | 0.138786000 1.00000000
|
|---|
| 413 | })
|
|---|
| 414 | (type: [am = p]
|
|---|
| 415 | {exp coef:0} = {
|
|---|
| 416 | 54.644071000 0.10367300
|
|---|
| 417 | 12.122902000 0.45819000
|
|---|
| 418 | 3.206504000 0.61340000
|
|---|
| 419 | })
|
|---|
| 420 | (type: [am = p]
|
|---|
| 421 | {exp coef:0} = {
|
|---|
| 422 | 0.863274000 0.22943600
|
|---|
| 423 | 0.108679000 0.35370000
|
|---|
| 424 | })
|
|---|
| 425 | (type: [am = p]
|
|---|
| 426 | {exp coef:0} = {
|
|---|
| 427 | 0.318130000 1.00000000
|
|---|
| 428 | })
|
|---|
| 429 | ]
|
|---|
| 430 | %
|
|---|
| 431 | % BASIS SET: (9S,6P) -> [4S,3P]
|
|---|
| 432 | chlorine: "MIDI (Huzinaga)": [
|
|---|
| 433 | (type: [am = s]
|
|---|
| 434 | {exp coef:0} = {
|
|---|
| 435 | 1362.022000000 0.06554400
|
|---|
| 436 | 205.811100000 0.38298700
|
|---|
| 437 | 44.772167000 0.67521000
|
|---|
| 438 | })
|
|---|
| 439 | (type: [am = s]
|
|---|
| 440 | {exp coef:0} = {
|
|---|
| 441 | 59.225732000 -0.09562000
|
|---|
| 442 | 5.213902000 0.64142600
|
|---|
| 443 | 2.047346000 0.42515300
|
|---|
| 444 | })
|
|---|
| 445 | (type: [am = s]
|
|---|
| 446 | {exp coef:0} = {
|
|---|
| 447 | 3.419712000 0.19640100
|
|---|
| 448 | 0.470017000 -0.69236000
|
|---|
| 449 | })
|
|---|
| 450 | (type: [am = s]
|
|---|
| 451 | {exp coef:0} = {
|
|---|
| 452 | 0.169958000 1.00000000
|
|---|
| 453 | })
|
|---|
| 454 | (type: [am = p]
|
|---|
| 455 | {exp coef:0} = {
|
|---|
| 456 | 64.099958000 0.10178900
|
|---|
| 457 | 14.287139000 0.45610700
|
|---|
| 458 | 3.828135000 0.61428200
|
|---|
| 459 | })
|
|---|
| 460 | (type: [am = p]
|
|---|
| 461 | {exp coef:0} = {
|
|---|
| 462 | 1.095126000 0.23590300
|
|---|
| 463 | 0.132176000 0.34660000
|
|---|
| 464 | })
|
|---|
| 465 | (type: [am = p]
|
|---|
| 466 | {exp coef:0} = {
|
|---|
| 467 | 0.396004000 1.00000000
|
|---|
| 468 | })
|
|---|
| 469 | ]
|
|---|
| 470 | %
|
|---|
| 471 | % BASIS SET: (9S,6P) -> [4S,3P]
|
|---|
| 472 | argon: "MIDI (Huzinaga)": [
|
|---|
| 473 | (type: [am = s]
|
|---|
| 474 | {exp coef:0} = {
|
|---|
| 475 | 1536.932500000 0.06515900
|
|---|
| 476 | 232.177650000 0.38180700
|
|---|
| 477 | 50.521685000 0.67644600
|
|---|
| 478 | })
|
|---|
| 479 | (type: [am = s]
|
|---|
| 480 | {exp coef:0} = {
|
|---|
| 481 | 66.933949000 -0.09674000
|
|---|
| 482 | 5.918552000 0.65274900
|
|---|
| 483 | 2.339342000 0.41357300
|
|---|
| 484 | })
|
|---|
| 485 | (type: [am = s]
|
|---|
| 486 | {exp coef:0} = {
|
|---|
| 487 | 4.045307000 0.20073600
|
|---|
| 488 | 0.565701000 -0.69626800
|
|---|
| 489 | })
|
|---|
| 490 | (type: [am = s]
|
|---|
| 491 | {exp coef:0} = {
|
|---|
| 492 | 0.204065000 1.00000000
|
|---|
| 493 | })
|
|---|
| 494 | (type: [am = p]
|
|---|
| 495 | {exp coef:0} = {
|
|---|
| 496 | 74.352915000 0.10007900
|
|---|
| 497 | 16.631346000 0.45422600
|
|---|
| 498 | 4.503927000 0.61525000
|
|---|
| 499 | })
|
|---|
| 500 | (type: [am = p]
|
|---|
| 501 | {exp coef:0} = {
|
|---|
| 502 | 1.357091000 0.23727600
|
|---|
| 503 | 0.488113000 0.55836000
|
|---|
| 504 | })
|
|---|
| 505 | (type: [am = p]
|
|---|
| 506 | {exp coef:0} = {
|
|---|
| 507 | 0.162126000 1.00000000
|
|---|
| 508 | })
|
|---|
| 509 | ]
|
|---|
| 510 | %
|
|---|
| 511 | % BASIS SET: (12S,6P) -> [5S,2P]
|
|---|
| 512 | potassium: "MIDI (Huzinaga)": [
|
|---|
| 513 | (type: [am = s]
|
|---|
| 514 | {exp coef:0} = {
|
|---|
| 515 | 1721.175500000 0.06487500
|
|---|
| 516 | 260.016330000 0.38085900
|
|---|
| 517 | 56.624554000 0.67736800
|
|---|
| 518 | })
|
|---|
| 519 | (type: [am = s]
|
|---|
| 520 | {exp coef:0} = {
|
|---|
| 521 | 75.055600000 -0.09787300
|
|---|
| 522 | 6.691163000 0.65956000
|
|---|
| 523 | 2.667166000 0.40652900
|
|---|
| 524 | })
|
|---|
| 525 | (type: [am = s]
|
|---|
| 526 | {exp coef:0} = {
|
|---|
| 527 | 4.668937000 -0.21293000
|
|---|
| 528 | 0.700013000 0.68924900
|
|---|
| 529 | 0.275334000 0.43392500
|
|---|
| 530 | })
|
|---|
| 531 | (type: [am = s]
|
|---|
| 532 | {exp coef:0} = {
|
|---|
| 533 | 0.252312000 -0.15298000
|
|---|
| 534 | 0.037631000 0.68172800
|
|---|
| 535 | })
|
|---|
| 536 | (type: [am = s]
|
|---|
| 537 | {exp coef:0} = {
|
|---|
| 538 | 0.016218000 0.41448300
|
|---|
| 539 | })
|
|---|
| 540 | (type: [am = p]
|
|---|
| 541 | {exp coef:0} = {
|
|---|
| 542 | 85.789846000 0.09803500
|
|---|
| 543 | 19.254794000 0.45104100
|
|---|
| 544 | 5.268624000 0.61770800
|
|---|
| 545 | })
|
|---|
| 546 | (type: [am = p]
|
|---|
| 547 | {exp coef:0} = {
|
|---|
| 548 | 1.683145000 0.23863600
|
|---|
| 549 | 0.625809000 0.57105700
|
|---|
| 550 | 0.223898000 0.31653600
|
|---|
| 551 | })
|
|---|
| 552 | ]
|
|---|
| 553 | )
|
|---|
