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10 | %H : K.A. Peterson, D.E. Woon (unpublished)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 | })
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395 | (type: [(am = i puream = 1)]
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396 | {exp coef:0} = {
|
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397 | 0.98470000000 1.0000000000
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398 | })
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399 | (type: [(am = i puream = 1)]
|
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400 | {exp coef:0} = {
|
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401 | 0.50000000000 1.0000000000
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402 | })
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403 | ]
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404 | %
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405 | % BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
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406 | % AUGMENTING FUNCTIONS: (1s,1p,1d,1f,1g,1h,1i)
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407 | carbon: "aug-cc-pV6Z": [
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408 | (type: [am = s am = s]
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409 | {exp coef:0 coef:1} = {
|
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410 | 312100.00000 0.56700000000E-05 -0.12100000000E-05
|
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411 | 46740.000000 0.44100000000E-04 -0.93900000000E-05
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412 | 10640.000000 0.23190000000E-03 -0.49470000000E-04
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413 | 3013.0000000 0.97897000000E-03 -0.20857000000E-03
|
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414 | 982.80000000 0.35516300000E-02 -0.76015000000E-03
|
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415 | 354.80000000 0.11440610000E-01 -0.24546900000E-02
|
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416 | 138.40000000 0.32998550000E-01 -0.72015300000E-02
|
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417 | 57.350000000 0.84053470000E-01 -0.18807420000E-01
|
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418 | 24.920000000 0.18067613000 -0.43250010000E-01
|
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419 | 11.230000000 0.30491140000 -0.82597330000E-01
|
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420 | 5.2010000000 0.34141570000 -0.12857592000
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421 | })
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422 | (type: [am = s]
|
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423 | {exp coef:0} = {
|
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424 | 2.4260000000 1.0000000000
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425 | })
|
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426 | (type: [am = s]
|
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427 | {exp coef:0} = {
|
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428 | 0.96730000000 1.0000000000
|
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429 | })
|
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430 | (type: [am = s]
|
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431 | {exp coef:0} = {
|
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432 | 0.44560000000 1.0000000000
|
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433 | })
|
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434 | (type: [am = s]
|
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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 | )
|
---|