1 | /*
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2 | * Project: MoleCuilder
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3 | * Description: creates and alters molecular systems
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4 | * Copyright (C) 2010 University of Bonn. All rights reserved.
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5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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6 | */
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7 |
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8 | /*
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9 | * MpqcParser_Parameters_initBasis.cpp
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10 | *
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11 | * Created on: Feb 4, 2011
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12 | * Author: heber
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13 | */
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14 |
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15 | // include config.h
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16 | #ifdef HAVE_CONFIG_H
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17 | #include <config.h>
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18 | #endif
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19 |
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20 | #include <string>
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21 |
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22 | #include "CodePatterns/MemDebug.hpp"
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23 |
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24 | #include "MpqcParser_Parameters.hpp"
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25 |
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26 |
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27 | void MpqcParser_Parameters::initBasis()
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28 | {
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29 | // list is obtained via the following shell script
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30 | //for basis in ~/install/share/mpqc/3.0.0-alpha/basis/*.kv; do
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31 | // grep ": \"" $basis | awk -F":" '{print "\tBasisList["$2"].push_back(\""$1"\");"}' | tr -d \ ;
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32 | //done
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33 |
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34 | BasisList["3-21G"].push_back("hydrogen");
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35 | BasisList["3-21G"].push_back("helium");
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36 | BasisList["3-21G"].push_back("lithium");
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37 | BasisList["3-21G"].push_back("beryllium");
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38 | BasisList["3-21G"].push_back("boron");
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39 | BasisList["3-21G"].push_back("carbon");
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40 | BasisList["3-21G"].push_back("nitrogen");
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41 | BasisList["3-21G"].push_back("oxygen");
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42 | BasisList["3-21G"].push_back("fluorine");
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43 | BasisList["3-21G"].push_back("neon");
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44 | BasisList["3-21G"].push_back("sodium");
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45 | BasisList["3-21G"].push_back("magnesium");
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46 | BasisList["3-21G"].push_back("aluminum");
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47 | BasisList["3-21G"].push_back("silicon");
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48 | BasisList["3-21G"].push_back("phosphorus");
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49 | BasisList["3-21G"].push_back("sulfur");
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50 | BasisList["3-21G"].push_back("chlorine");
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51 | BasisList["3-21G"].push_back("argon");
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52 | BasisList["3-21G"].push_back("potassium");
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53 | BasisList["3-21G"].push_back("calcium");
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54 | BasisList["3-21G"].push_back("scandium");
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55 | BasisList["3-21G"].push_back("titanium");
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56 | BasisList["3-21G"].push_back("vanadium");
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57 | BasisList["3-21G"].push_back("chromium");
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58 | BasisList["3-21G"].push_back("manganese");
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59 | BasisList["3-21G"].push_back("iron");
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60 | BasisList["3-21G"].push_back("cobalt");
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61 | BasisList["3-21G"].push_back("nickel");
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62 | BasisList["3-21G"].push_back("copper");
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63 | BasisList["3-21G"].push_back("zinc");
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64 | BasisList["3-21G"].push_back("gallium");
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65 | BasisList["3-21G"].push_back("germanium");
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66 | BasisList["3-21G"].push_back("arsenic");
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67 | BasisList["3-21G"].push_back("selenium");
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68 | BasisList["3-21G"].push_back("bromine");
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69 | BasisList["3-21G"].push_back("krypton");
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70 | BasisList["3-21G*"].push_back("hydrogen");
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71 | BasisList["3-21G*"].push_back("helium");
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72 | BasisList["3-21G*"].push_back("lithium");
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73 | BasisList["3-21G*"].push_back("beryllium");
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74 | BasisList["3-21G*"].push_back("boron");
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75 | BasisList["3-21G*"].push_back("carbon");
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76 | BasisList["3-21G*"].push_back("nitrogen");
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77 | BasisList["3-21G*"].push_back("oxygen");
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78 | BasisList["3-21G*"].push_back("fluorine");
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79 | BasisList["3-21G*"].push_back("neon");
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80 | BasisList["3-21G*"].push_back("sodium");
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81 | BasisList["3-21G*"].push_back("magnesium");
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82 | BasisList["3-21G*"].push_back("aluminum");
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83 | BasisList["3-21G*"].push_back("silicon");
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84 | BasisList["3-21G*"].push_back("phosphorus");
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85 | BasisList["3-21G*"].push_back("sulfur");
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86 | BasisList["3-21G*"].push_back("chlorine");
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87 | BasisList["3-21G*"].push_back("argon");
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88 | BasisList["3-21++G"].push_back("hydrogen");
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89 | BasisList["3-21++G"].push_back("helium");
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90 | BasisList["3-21++G"].push_back("lithium");
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91 | BasisList["3-21++G"].push_back("beryllium");
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92 | BasisList["3-21++G"].push_back("boron");
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93 | BasisList["3-21++G"].push_back("carbon");
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94 | BasisList["3-21++G"].push_back("nitrogen");
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95 | BasisList["3-21++G"].push_back("oxygen");
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96 | BasisList["3-21++G"].push_back("fluorine");
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97 | BasisList["3-21++G"].push_back("neon");
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98 | BasisList["3-21++G"].push_back("sodium");
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99 | BasisList["3-21++G"].push_back("magnesium");
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100 | BasisList["3-21++G"].push_back("aluminum");
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101 | BasisList["3-21++G"].push_back("silicon");
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102 | BasisList["3-21++G"].push_back("phosphorus");
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103 | BasisList["3-21++G"].push_back("sulfur");
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104 | BasisList["3-21++G"].push_back("chlorine");
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105 | BasisList["3-21++G"].push_back("argon");
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106 | BasisList["3-21++G*"].push_back("hydrogen");
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107 | BasisList["3-21++G*"].push_back("helium");
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108 | BasisList["3-21++G*"].push_back("lithium");
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109 | BasisList["3-21++G*"].push_back("beryllium");
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110 | BasisList["3-21++G*"].push_back("boron");
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111 | BasisList["3-21++G*"].push_back("carbon");
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112 | BasisList["3-21++G*"].push_back("nitrogen");
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113 | BasisList["3-21++G*"].push_back("oxygen");
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114 | BasisList["3-21++G*"].push_back("fluorine");
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115 | BasisList["3-21++G*"].push_back("neon");
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116 | BasisList["3-21++G*"].push_back("sodium");
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117 | BasisList["3-21++G*"].push_back("magnesium");
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118 | BasisList["3-21++G*"].push_back("aluminum");
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119 | BasisList["3-21++G*"].push_back("silicon");
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120 | BasisList["3-21++G*"].push_back("phosphorus");
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121 | BasisList["3-21++G*"].push_back("sulfur");
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122 | BasisList["3-21++G*"].push_back("chlorine");
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123 | BasisList["3-21++G*"].push_back("argon");
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124 | BasisList["4-31G"].push_back("hydrogen");
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125 | BasisList["4-31G"].push_back("helium");
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126 | BasisList["4-31G"].push_back("lithium");
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127 | BasisList["4-31G"].push_back("beryllium");
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128 | BasisList["4-31G"].push_back("boron");
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129 | BasisList["4-31G"].push_back("carbon");
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130 | BasisList["4-31G"].push_back("nitrogen");
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131 | BasisList["4-31G"].push_back("oxygen");
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132 | BasisList["4-31G"].push_back("fluorine");
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133 | BasisList["4-31G"].push_back("neon");
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134 | BasisList["4-31G"].push_back("phosphorus");
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135 | BasisList["4-31G"].push_back("sulfur");
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136 | BasisList["4-31G"].push_back("chlorine");
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137 | BasisList["6-311G"].push_back("hydrogen");
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138 | BasisList["6-311G"].push_back("helium");
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139 | BasisList["6-311G"].push_back("lithium");
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140 | BasisList["6-311G"].push_back("beryllium");
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141 | BasisList["6-311G"].push_back("boron");
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142 | BasisList["6-311G"].push_back("carbon");
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143 | BasisList["6-311G"].push_back("nitrogen");
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144 | BasisList["6-311G"].push_back("oxygen");
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145 | BasisList["6-311G"].push_back("fluorine");
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146 | BasisList["6-311G"].push_back("neon");
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147 | BasisList["6-311G"].push_back("sodium");
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148 | BasisList["6-311G"].push_back("magnesium");
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149 | BasisList["6-311G"].push_back("aluminum");
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150 | BasisList["6-311G"].push_back("silicon");
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151 | BasisList["6-311G"].push_back("phosphorus");
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152 | BasisList["6-311G"].push_back("sulfur");
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153 | BasisList["6-311G"].push_back("chlorine");
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154 | BasisList["6-311G"].push_back("argon");
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155 | BasisList["6-311G"].push_back("potassium");
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156 | BasisList["6-311G"].push_back("calcium");
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157 | BasisList["6-311G"].push_back("gallium");
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158 | BasisList["6-311G"].push_back("germanium");
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159 | BasisList["6-311G"].push_back("arsenic");
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160 | BasisList["6-311G"].push_back("selenium");
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161 | BasisList["6-311G"].push_back("bromine");
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162 | BasisList["6-311G"].push_back("krypton");
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163 | BasisList["6-311G(2df,2pd)"].push_back("hydrogen");
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164 | BasisList["6-311G(2df,2pd)"].push_back("helium");
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165 | BasisList["6-311G(2df,2pd)"].push_back("lithium");
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166 | BasisList["6-311G(2df,2pd)"].push_back("beryllium");
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167 | BasisList["6-311G(2df,2pd)"].push_back("boron");
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168 | BasisList["6-311G(2df,2pd)"].push_back("carbon");
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169 | BasisList["6-311G(2df,2pd)"].push_back("nitrogen");
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170 | BasisList["6-311G(2df,2pd)"].push_back("oxygen");
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171 | BasisList["6-311G(2df,2pd)"].push_back("fluorine");
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172 | BasisList["6-311G(2df,2pd)"].push_back("neon");
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173 | BasisList["6-311G(2df,2pd)"].push_back("potassium");
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174 | BasisList["6-311G(2df,2pd)"].push_back("calcium");
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175 | BasisList["6-311G*"].push_back("hydrogen");
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176 | BasisList["6-311G*"].push_back("helium");
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177 | BasisList["6-311G*"].push_back("lithium");
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178 | BasisList["6-311G*"].push_back("beryllium");
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179 | BasisList["6-311G*"].push_back("boron");
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180 | BasisList["6-311G*"].push_back("carbon");
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181 | BasisList["6-311G*"].push_back("nitrogen");
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182 | BasisList["6-311G*"].push_back("oxygen");
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183 | BasisList["6-311G*"].push_back("fluorine");
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184 | BasisList["6-311G*"].push_back("neon");
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185 | BasisList["6-311G*"].push_back("sodium");
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186 | BasisList["6-311G*"].push_back("magnesium");
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187 | BasisList["6-311G*"].push_back("aluminum");
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188 | BasisList["6-311G*"].push_back("silicon");
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189 | BasisList["6-311G*"].push_back("phosphorus");
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190 | BasisList["6-311G*"].push_back("sulfur");
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191 | BasisList["6-311G*"].push_back("chlorine");
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192 | BasisList["6-311G*"].push_back("argon");
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193 | BasisList["6-311G*"].push_back("potassium");
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194 | BasisList["6-311G*"].push_back("calcium");
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195 | BasisList["6-311G*"].push_back("gallium");
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196 | BasisList["6-311G*"].push_back("germanium");
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197 | BasisList["6-311G*"].push_back("arsenic");
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198 | BasisList["6-311G*"].push_back("selenium");
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199 | BasisList["6-311G*"].push_back("bromine");
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200 | BasisList["6-311G*"].push_back("krypton");
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201 | BasisList["6-311G**"].push_back("hydrogen");
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202 | BasisList["6-311G**"].push_back("helium");
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203 | BasisList["6-311G**"].push_back("lithium");
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204 | BasisList["6-311G**"].push_back("beryllium");
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205 | BasisList["6-311G**"].push_back("boron");
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206 | BasisList["6-311G**"].push_back("carbon");
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207 | BasisList["6-311G**"].push_back("nitrogen");
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208 | BasisList["6-311G**"].push_back("oxygen");
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209 | BasisList["6-311G**"].push_back("fluorine");
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210 | BasisList["6-311G**"].push_back("neon");
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211 | BasisList["6-311G**"].push_back("sodium");
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212 | BasisList["6-311G**"].push_back("magnesium");
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213 | BasisList["6-311G**"].push_back("aluminum");
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214 | BasisList["6-311G**"].push_back("silicon");
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215 | BasisList["6-311G**"].push_back("phosphorus");
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216 | BasisList["6-311G**"].push_back("sulfur");
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217 | BasisList["6-311G**"].push_back("chlorine");
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218 | BasisList["6-311G**"].push_back("argon");
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219 | BasisList["6-311G**"].push_back("potassium");
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220 | BasisList["6-311G**"].push_back("calcium");
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221 | BasisList["6-311G**"].push_back("gallium");
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222 | BasisList["6-311G**"].push_back("germanium");
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223 | BasisList["6-311G**"].push_back("arsenic");
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224 | BasisList["6-311G**"].push_back("selenium");
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225 | BasisList["6-311G**"].push_back("bromine");
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226 | BasisList["6-311G**"].push_back("krypton");
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227 | BasisList["6-311++G(2d,2p)"].push_back("hydrogen");
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228 | BasisList["6-311++G(2d,2p)"].push_back("helium");
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229 | BasisList["6-311++G(2d,2p)"].push_back("lithium");
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230 | BasisList["6-311++G(2d,2p)"].push_back("beryllium");
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231 | BasisList["6-311++G(2d,2p)"].push_back("boron");
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232 | BasisList["6-311++G(2d,2p)"].push_back("carbon");
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233 | BasisList["6-311++G(2d,2p)"].push_back("nitrogen");
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234 | BasisList["6-311++G(2d,2p)"].push_back("oxygen");
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235 | BasisList["6-311++G(2d,2p)"].push_back("fluorine");
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236 | BasisList["6-311++G(2d,2p)"].push_back("neon");
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237 | BasisList["6-311++G(2d,2p)"].push_back("sodium");
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238 | BasisList["6-311++G(2d,2p)"].push_back("magnesium");
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239 | BasisList["6-311++G(2d,2p)"].push_back("aluminum");
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240 | BasisList["6-311++G(2d,2p)"].push_back("silicon");
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241 | BasisList["6-311++G(2d,2p)"].push_back("phosphorus");
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242 | BasisList["6-311++G(2d,2p)"].push_back("sulfur");
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243 | BasisList["6-311++G(2d,2p)"].push_back("chlorine");
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244 | BasisList["6-311++G(2d,2p)"].push_back("argon");
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245 | BasisList["6-311++G(2d,2p)"].push_back("potassium");
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246 | BasisList["6-311++G(2d,2p)"].push_back("calcium");
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247 | BasisList["6-311++G(3df,3pd)"].push_back("hydrogen");
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248 | BasisList["6-311++G(3df,3pd)"].push_back("helium");
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249 | BasisList["6-311++G(3df,3pd)"].push_back("lithium");
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250 | BasisList["6-311++G(3df,3pd)"].push_back("beryllium");
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251 | BasisList["6-311++G(3df,3pd)"].push_back("boron");
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252 | BasisList["6-311++G(3df,3pd)"].push_back("carbon");
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253 | BasisList["6-311++G(3df,3pd)"].push_back("nitrogen");
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254 | BasisList["6-311++G(3df,3pd)"].push_back("oxygen");
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255 | BasisList["6-311++G(3df,3pd)"].push_back("fluorine");
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256 | BasisList["6-311++G(3df,3pd)"].push_back("neon");
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257 | BasisList["6-311++G(3df,3pd)"].push_back("sodium");
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258 | BasisList["6-311++G(3df,3pd)"].push_back("magnesium");
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259 | BasisList["6-311++G(3df,3pd)"].push_back("aluminum");
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260 | BasisList["6-311++G(3df,3pd)"].push_back("silicon");
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261 | BasisList["6-311++G(3df,3pd)"].push_back("phosphorus");
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262 | BasisList["6-311++G(3df,3pd)"].push_back("sulfur");
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263 | BasisList["6-311++G(3df,3pd)"].push_back("chlorine");
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264 | BasisList["6-311++G(3df,3pd)"].push_back("argon");
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265 | BasisList["6-311++G**"].push_back("hydrogen");
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266 | BasisList["6-311++G**"].push_back("helium");
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267 | BasisList["6-311++G**"].push_back("lithium");
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268 | BasisList["6-311++G**"].push_back("beryllium");
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269 | BasisList["6-311++G**"].push_back("boron");
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270 | BasisList["6-311++G**"].push_back("carbon");
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271 | BasisList["6-311++G**"].push_back("nitrogen");
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272 | BasisList["6-311++G**"].push_back("oxygen");
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273 | BasisList["6-311++G**"].push_back("fluorine");
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274 | BasisList["6-311++G**"].push_back("neon");
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275 | BasisList["6-31G"].push_back("hydrogen");
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276 | BasisList["6-31G"].push_back("helium");
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277 | BasisList["6-31G"].push_back("lithium");
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278 | BasisList["6-31G"].push_back("beryllium");
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279 | BasisList["6-31G"].push_back("boron");
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280 | BasisList["6-31G"].push_back("carbon");
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281 | BasisList["6-31G"].push_back("nitrogen");
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282 | BasisList["6-31G"].push_back("oxygen");
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283 | BasisList["6-31G"].push_back("fluorine");
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284 | BasisList["6-31G"].push_back("neon");
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285 | BasisList["6-31G"].push_back("sodium");
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286 | BasisList["6-31G"].push_back("magnesium");
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287 | BasisList["6-31G"].push_back("aluminum");
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288 | BasisList["6-31G"].push_back("silicon");
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289 | BasisList["6-31G"].push_back("phosphorus");
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290 | BasisList["6-31G"].push_back("sulfur");
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291 | BasisList["6-31G"].push_back("chlorine");
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292 | BasisList["6-31G"].push_back("argon");
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293 | BasisList["6-31G"].push_back("potassium");
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294 | BasisList["6-31G"].push_back("calcium");
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295 | BasisList["6-31G"].push_back("scandium");
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296 | BasisList["6-31G"].push_back("titanium");
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297 | BasisList["6-31G"].push_back("vanadium");
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298 | BasisList["6-31G"].push_back("chromium");
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299 | BasisList["6-31G"].push_back("manganese");
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300 | BasisList["6-31G"].push_back("iron");
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301 | BasisList["6-31G"].push_back("cobalt");
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302 | BasisList["6-31G"].push_back("nickel");
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303 | BasisList["6-31G"].push_back("copper");
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304 | BasisList["6-31G"].push_back("zinc");
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305 | BasisList["6-31G*"].push_back("hydrogen");
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---|
306 | BasisList["6-31G*"].push_back("helium");
|
---|
307 | BasisList["6-31G*"].push_back("lithium");
|
---|
308 | BasisList["6-31G*"].push_back("beryllium");
|
---|
309 | BasisList["6-31G*"].push_back("boron");
|
---|
310 | BasisList["6-31G*"].push_back("carbon");
|
---|
311 | BasisList["6-31G*"].push_back("nitrogen");
|
---|
312 | BasisList["6-31G*"].push_back("oxygen");
|
---|
313 | BasisList["6-31G*"].push_back("fluorine");
|
---|
314 | BasisList["6-31G*"].push_back("neon");
|
---|
315 | BasisList["6-31G*"].push_back("sodium");
|
---|
316 | BasisList["6-31G*"].push_back("magnesium");
|
---|
317 | BasisList["6-31G*"].push_back("aluminum");
|
---|
318 | BasisList["6-31G*"].push_back("silicon");
|
---|
319 | BasisList["6-31G*"].push_back("phosphorus");
|
---|
320 | BasisList["6-31G*"].push_back("sulfur");
|
---|
321 | BasisList["6-31G*"].push_back("chlorine");
|
---|
322 | BasisList["6-31G*"].push_back("argon");
|
---|
323 | BasisList["6-31G*"].push_back("potassium");
|
---|
324 | BasisList["6-31G*"].push_back("calcium");
|
---|
325 | BasisList["6-31G*"].push_back("scandium");
|
---|
326 | BasisList["6-31G*"].push_back("titanium");
|
---|
327 | BasisList["6-31G*"].push_back("vanadium");
|
---|
328 | BasisList["6-31G*"].push_back("chromium");
|
---|
329 | BasisList["6-31G*"].push_back("manganese");
|
---|
330 | BasisList["6-31G*"].push_back("iron");
|
---|
331 | BasisList["6-31G*"].push_back("cobalt");
|
---|
332 | BasisList["6-31G*"].push_back("nickel");
|
---|
333 | BasisList["6-31G*"].push_back("copper");
|
---|
334 | BasisList["6-31G*"].push_back("zinc");
|
---|
335 | BasisList["6-31G**"].push_back("hydrogen");
|
---|
336 | BasisList["6-31G**"].push_back("helium");
|
---|
337 | BasisList["6-31G**"].push_back("lithium");
|
---|
338 | BasisList["6-31G**"].push_back("beryllium");
|
---|
339 | BasisList["6-31G**"].push_back("boron");
|
---|
340 | BasisList["6-31G**"].push_back("carbon");
|
---|
341 | BasisList["6-31G**"].push_back("nitrogen");
|
---|
342 | BasisList["6-31G**"].push_back("oxygen");
|
---|
343 | BasisList["6-31G**"].push_back("fluorine");
|
---|
344 | BasisList["6-31G**"].push_back("neon");
|
---|
345 | BasisList["6-31G**"].push_back("sodium");
|
---|
346 | BasisList["6-31G**"].push_back("magnesium");
|
---|
347 | BasisList["6-31G**"].push_back("aluminum");
|
---|
348 | BasisList["6-31G**"].push_back("silicon");
|
---|
349 | BasisList["6-31G**"].push_back("phosphorus");
|
---|
350 | BasisList["6-31G**"].push_back("sulfur");
|
---|
351 | BasisList["6-31G**"].push_back("chlorine");
|
---|
352 | BasisList["6-31G**"].push_back("argon");
|
---|
353 | BasisList["6-31G**"].push_back("potassium");
|
---|
354 | BasisList["6-31G**"].push_back("calcium");
|
---|
355 | BasisList["6-31G**"].push_back("scandium");
|
---|
356 | BasisList["6-31G**"].push_back("titanium");
|
---|
357 | BasisList["6-31G**"].push_back("vanadium");
|
---|
358 | BasisList["6-31G**"].push_back("chromium");
|
---|
359 | BasisList["6-31G**"].push_back("manganese");
|
---|
360 | BasisList["6-31G**"].push_back("iron");
|
---|
361 | BasisList["6-31G**"].push_back("cobalt");
|
---|
362 | BasisList["6-31G**"].push_back("nickel");
|
---|
363 | BasisList["6-31G**"].push_back("copper");
|
---|
364 | BasisList["6-31G**"].push_back("zinc");
|
---|
365 | BasisList["6-31+G*"].push_back("hydrogen");
|
---|
366 | BasisList["6-31+G*"].push_back("helium");
|
---|
367 | BasisList["6-31+G*"].push_back("lithium");
|
---|
368 | BasisList["6-31+G*"].push_back("beryllium");
|
---|
369 | BasisList["6-31+G*"].push_back("boron");
|
---|
370 | BasisList["6-31+G*"].push_back("carbon");
|
---|
371 | BasisList["6-31+G*"].push_back("nitrogen");
|
---|
372 | BasisList["6-31+G*"].push_back("oxygen");
|
---|
373 | BasisList["6-31+G*"].push_back("fluorine");
|
---|
374 | BasisList["6-31+G*"].push_back("neon");
|
---|
375 | BasisList["6-31+G*"].push_back("sodium");
|
---|
376 | BasisList["6-31+G*"].push_back("magnesium");
|
---|
377 | BasisList["6-31+G*"].push_back("aluminum");
|
---|
378 | BasisList["6-31+G*"].push_back("silicon");
|
---|
379 | BasisList["6-31+G*"].push_back("phosphorus");
|
---|
380 | BasisList["6-31+G*"].push_back("sulfur");
|
---|
381 | BasisList["6-31+G*"].push_back("chlorine");
|
---|
382 | BasisList["6-31+G*"].push_back("argon");
|
---|
383 | BasisList["6-31++G"].push_back("hydrogen");
|
---|
384 | BasisList["6-31++G"].push_back("helium");
|
---|
385 | BasisList["6-31++G"].push_back("lithium");
|
---|
386 | BasisList["6-31++G"].push_back("beryllium");
|
---|
387 | BasisList["6-31++G"].push_back("boron");
|
---|
388 | BasisList["6-31++G"].push_back("carbon");
|
---|
389 | BasisList["6-31++G"].push_back("nitrogen");
|
---|
390 | BasisList["6-31++G"].push_back("oxygen");
|
---|
391 | BasisList["6-31++G"].push_back("fluorine");
|
---|
392 | BasisList["6-31++G"].push_back("neon");
|
---|
393 | BasisList["6-31++G"].push_back("sodium");
|
---|
394 | BasisList["6-31++G"].push_back("magnesium");
|
---|
395 | BasisList["6-31++G"].push_back("aluminum");
|
---|
396 | BasisList["6-31++G"].push_back("silicon");
|
---|
397 | BasisList["6-31++G"].push_back("phosphorus");
|
---|
398 | BasisList["6-31++G"].push_back("sulfur");
|
---|
399 | BasisList["6-31++G"].push_back("chlorine");
|
---|
400 | BasisList["6-31++G"].push_back("argon");
|
---|
401 | BasisList["6-31++G"].push_back("potassium");
|
---|
402 | BasisList["6-31++G"].push_back("calcium");
|
---|
403 | BasisList["6-31++G*"].push_back("hydrogen");
|
---|
404 | BasisList["6-31++G*"].push_back("helium");
|
---|
405 | BasisList["6-31++G*"].push_back("lithium");
|
---|
406 | BasisList["6-31++G*"].push_back("beryllium");
|
---|
407 | BasisList["6-31++G*"].push_back("boron");
|
---|
408 | BasisList["6-31++G*"].push_back("carbon");
|
---|
409 | BasisList["6-31++G*"].push_back("nitrogen");
|
---|
410 | BasisList["6-31++G*"].push_back("oxygen");
|
---|
411 | BasisList["6-31++G*"].push_back("fluorine");
|
---|
412 | BasisList["6-31++G*"].push_back("neon");
|
---|
413 | BasisList["6-31++G*"].push_back("sodium");
|
---|
414 | BasisList["6-31++G*"].push_back("magnesium");
|
---|
415 | BasisList["6-31++G*"].push_back("aluminum");
|
---|
416 | BasisList["6-31++G*"].push_back("silicon");
|
---|
417 | BasisList["6-31++G*"].push_back("phosphorus");
|
---|
418 | BasisList["6-31++G*"].push_back("sulfur");
|
---|
419 | BasisList["6-31++G*"].push_back("chlorine");
|
---|
420 | BasisList["6-31++G*"].push_back("argon");
|
---|
421 | BasisList["6-31++G**"].push_back("hydrogen");
|
---|
422 | BasisList["6-31++G**"].push_back("helium");
|
---|
423 | BasisList["6-31++G**"].push_back("lithium");
|
---|
424 | BasisList["6-31++G**"].push_back("beryllium");
|
---|
425 | BasisList["6-31++G**"].push_back("boron");
|
---|
426 | BasisList["6-31++G**"].push_back("carbon");
|
---|
427 | BasisList["6-31++G**"].push_back("nitrogen");
|
---|
428 | BasisList["6-31++G**"].push_back("oxygen");
|
---|
429 | BasisList["6-31++G**"].push_back("fluorine");
|
---|
430 | BasisList["6-31++G**"].push_back("neon");
|
---|
431 | BasisList["6-31++G**"].push_back("sodium");
|
---|
432 | BasisList["6-31++G**"].push_back("magnesium");
|
---|
433 | BasisList["6-31++G**"].push_back("aluminum");
|
---|
434 | BasisList["6-31++G**"].push_back("silicon");
|
---|
435 | BasisList["6-31++G**"].push_back("phosphorus");
|
---|
436 | BasisList["6-31++G**"].push_back("sulfur");
|
---|
437 | BasisList["6-31++G**"].push_back("chlorine");
|
---|
438 | BasisList["6-31++G**"].push_back("argon");
|
---|
439 | BasisList["aug-cc-pCV5Z"].push_back("boron");
|
---|
440 | BasisList["aug-cc-pCV5Z"].push_back("carbon");
|
---|
441 | BasisList["aug-cc-pCV5Z"].push_back("nitrogen");
|
---|
442 | BasisList["aug-cc-pCV5Z"].push_back("oxygen");
|
---|
443 | BasisList["aug-cc-pCV5Z"].push_back("fluorine");
|
---|
444 | BasisList["aug-cc-pCV5Z"].push_back("neon");
|
---|
445 | BasisList["aug-cc-pCVDZ"].push_back("boron");
|
---|
446 | BasisList["aug-cc-pCVDZ"].push_back("carbon");
|
---|
447 | BasisList["aug-cc-pCVDZ"].push_back("nitrogen");
|
---|
448 | BasisList["aug-cc-pCVDZ"].push_back("oxygen");
|
---|
449 | BasisList["aug-cc-pCVDZ"].push_back("fluorine");
|
---|
450 | BasisList["aug-cc-pCVDZ"].push_back("neon");
|
---|
451 | BasisList["aug-cc-pCVDZ"].push_back("aluminum");
|
---|
452 | BasisList["aug-cc-pCVDZ"].push_back("silicon");
|
---|
453 | BasisList["aug-cc-pCVDZ"].push_back("phosphorus");
|
---|
454 | BasisList["aug-cc-pCVDZ"].push_back("sulfur");
|
---|
455 | BasisList["aug-cc-pCVDZ"].push_back("chlorine");
|
---|
456 | BasisList["aug-cc-pCVDZ"].push_back("argon");
|
---|
457 | BasisList["aug-cc-pCVQZ"].push_back("boron");
|
---|
458 | BasisList["aug-cc-pCVQZ"].push_back("carbon");
|
---|
459 | BasisList["aug-cc-pCVQZ"].push_back("nitrogen");
|
---|
460 | BasisList["aug-cc-pCVQZ"].push_back("oxygen");
|
---|
461 | BasisList["aug-cc-pCVQZ"].push_back("fluorine");
|
---|
462 | BasisList["aug-cc-pCVQZ"].push_back("neon");
|
---|
463 | BasisList["aug-cc-pCVQZ"].push_back("aluminum");
|
---|
464 | BasisList["aug-cc-pCVQZ"].push_back("silicon");
|
---|
465 | BasisList["aug-cc-pCVQZ"].push_back("phosphorus");
|
---|
466 | BasisList["aug-cc-pCVQZ"].push_back("sulfur");
|
---|
467 | BasisList["aug-cc-pCVQZ"].push_back("chlorine");
|
---|
468 | BasisList["aug-cc-pCVQZ"].push_back("argon");
|
---|
469 | BasisList["aug-cc-pCVTZ"].push_back("boron");
|
---|
470 | BasisList["aug-cc-pCVTZ"].push_back("carbon");
|
---|
471 | BasisList["aug-cc-pCVTZ"].push_back("nitrogen");
|
---|
472 | BasisList["aug-cc-pCVTZ"].push_back("oxygen");
|
---|
473 | BasisList["aug-cc-pCVTZ"].push_back("fluorine");
|
---|
474 | BasisList["aug-cc-pCVTZ"].push_back("neon");
|
---|
475 | BasisList["aug-cc-pCVTZ"].push_back("aluminum");
|
---|
476 | BasisList["aug-cc-pCVTZ"].push_back("silicon");
|
---|
477 | BasisList["aug-cc-pCVTZ"].push_back("phosphorus");
|
---|
478 | BasisList["aug-cc-pCVTZ"].push_back("sulfur");
|
---|
479 | BasisList["aug-cc-pCVTZ"].push_back("chlorine");
|
---|
480 | BasisList["aug-cc-pCVTZ"].push_back("argon");
|
---|
481 | BasisList["aug-cc-pV5Z"].push_back("hydrogen");
|
---|
482 | BasisList["aug-cc-pV5Z"].push_back("helium");
|
---|
483 | BasisList["aug-cc-pV5Z"].push_back("boron");
|
---|
484 | BasisList["aug-cc-pV5Z"].push_back("carbon");
|
---|
485 | BasisList["aug-cc-pV5Z"].push_back("nitrogen");
|
---|
486 | BasisList["aug-cc-pV5Z"].push_back("oxygen");
|
---|
487 | BasisList["aug-cc-pV5Z"].push_back("fluorine");
|
---|
488 | BasisList["aug-cc-pV5Z"].push_back("neon");
|
---|
489 | BasisList["aug-cc-pV5Z"].push_back("aluminum");
|
---|
490 | BasisList["aug-cc-pV5Z"].push_back("silicon");
|
---|
491 | BasisList["aug-cc-pV5Z"].push_back("phosphorus");
|
---|
492 | BasisList["aug-cc-pV5Z"].push_back("sulfur");
|
---|
493 | BasisList["aug-cc-pV5Z"].push_back("chlorine");
|
---|
494 | BasisList["aug-cc-pV5Z"].push_back("argon");
|
---|
495 | BasisList["aug-cc-pV5Z"].push_back("gallium");
|
---|
496 | BasisList["aug-cc-pV5Z"].push_back("germanium");
|
---|
497 | BasisList["aug-cc-pV5Z"].push_back("arsenic");
|
---|
498 | BasisList["aug-cc-pV5Z"].push_back("selenium");
|
---|
499 | BasisList["aug-cc-pV5Z"].push_back("bromine");
|
---|
500 | BasisList["aug-cc-pV5Z"].push_back("krypton");
|
---|
501 | BasisList["aug-cc-pV6Z"].push_back("hydrogen");
|
---|
502 | BasisList["aug-cc-pV6Z"].push_back("helium");
|
---|
503 | BasisList["aug-cc-pV6Z"].push_back("boron");
|
---|
504 | BasisList["aug-cc-pV6Z"].push_back("carbon");
|
---|
505 | BasisList["aug-cc-pV6Z"].push_back("nitrogen");
|
---|
506 | BasisList["aug-cc-pV6Z"].push_back("oxygen");
|
---|
507 | BasisList["aug-cc-pV6Z"].push_back("fluorine");
|
---|
508 | BasisList["aug-cc-pV6Z"].push_back("neon");
|
---|
509 | BasisList["aug-cc-pV6Z"].push_back("aluminum");
|
---|
510 | BasisList["aug-cc-pV6Z"].push_back("silicon");
|
---|
511 | BasisList["aug-cc-pV6Z"].push_back("phosphorus");
|
---|
512 | BasisList["aug-cc-pV6Z"].push_back("sulfur");
|
---|
513 | BasisList["aug-cc-pV6Z"].push_back("chlorine");
|
---|
514 | BasisList["aug-cc-pV6Z"].push_back("argon");
|
---|
515 | BasisList["aug-cc-pVDZ"].push_back("hydrogen");
|
---|
516 | BasisList["aug-cc-pVDZ"].push_back("helium");
|
---|
517 | BasisList["aug-cc-pVDZ"].push_back("boron");
|
---|
518 | BasisList["aug-cc-pVDZ"].push_back("carbon");
|
---|
519 | BasisList["aug-cc-pVDZ"].push_back("nitrogen");
|
---|
520 | BasisList["aug-cc-pVDZ"].push_back("oxygen");
|
---|
521 | BasisList["aug-cc-pVDZ"].push_back("fluorine");
|
---|
522 | BasisList["aug-cc-pVDZ"].push_back("neon");
|
---|
523 | BasisList["aug-cc-pVDZ"].push_back("aluminum");
|
---|
524 | BasisList["aug-cc-pVDZ"].push_back("silicon");
|
---|
525 | BasisList["aug-cc-pVDZ"].push_back("phosphorus");
|
---|
526 | BasisList["aug-cc-pVDZ"].push_back("sulfur");
|
---|
527 | BasisList["aug-cc-pVDZ"].push_back("chlorine");
|
---|
528 | BasisList["aug-cc-pVDZ"].push_back("argon");
|
---|
529 | BasisList["aug-cc-pVDZ"].push_back("gallium");
|
---|
530 | BasisList["aug-cc-pVDZ"].push_back("germanium");
|
---|
531 | BasisList["aug-cc-pVDZ"].push_back("arsenic");
|
---|
532 | BasisList["aug-cc-pVDZ"].push_back("selenium");
|
---|
533 | BasisList["aug-cc-pVDZ"].push_back("bromine");
|
---|
534 | BasisList["aug-cc-pVDZ"].push_back("krypton");
|
---|
535 | BasisList["aug-cc-pVQZ"].push_back("hydrogen");
|
---|
536 | BasisList["aug-cc-pVQZ"].push_back("helium");
|
---|
537 | BasisList["aug-cc-pVQZ"].push_back("boron");
|
---|
538 | BasisList["aug-cc-pVQZ"].push_back("carbon");
|
---|
539 | BasisList["aug-cc-pVQZ"].push_back("nitrogen");
|
---|
540 | BasisList["aug-cc-pVQZ"].push_back("oxygen");
|
---|
541 | BasisList["aug-cc-pVQZ"].push_back("fluorine");
|
---|
542 | BasisList["aug-cc-pVQZ"].push_back("neon");
|
---|
543 | BasisList["aug-cc-pVQZ"].push_back("aluminum");
|
---|
544 | BasisList["aug-cc-pVQZ"].push_back("silicon");
|
---|
545 | BasisList["aug-cc-pVQZ"].push_back("phosphorus");
|
---|
546 | BasisList["aug-cc-pVQZ"].push_back("sulfur");
|
---|
547 | BasisList["aug-cc-pVQZ"].push_back("chlorine");
|
---|
548 | BasisList["aug-cc-pVQZ"].push_back("argon");
|
---|
549 | BasisList["aug-cc-pVQZ"].push_back("gallium");
|
---|
550 | BasisList["aug-cc-pVQZ"].push_back("germanium");
|
---|
551 | BasisList["aug-cc-pVQZ"].push_back("arsenic");
|
---|
552 | BasisList["aug-cc-pVQZ"].push_back("selenium");
|
---|
553 | BasisList["aug-cc-pVQZ"].push_back("bromine");
|
---|
554 | BasisList["aug-cc-pVQZ"].push_back("krypton");
|
---|
555 | BasisList["aug-cc-pVTZ"].push_back("hydrogen");
|
---|
556 | BasisList["aug-cc-pVTZ"].push_back("helium");
|
---|
557 | BasisList["aug-cc-pVTZ"].push_back("boron");
|
---|
558 | BasisList["aug-cc-pVTZ"].push_back("carbon");
|
---|
559 | BasisList["aug-cc-pVTZ"].push_back("nitrogen");
|
---|
560 | BasisList["aug-cc-pVTZ"].push_back("oxygen");
|
---|
561 | BasisList["aug-cc-pVTZ"].push_back("fluorine");
|
---|
562 | BasisList["aug-cc-pVTZ"].push_back("neon");
|
---|
563 | BasisList["aug-cc-pVTZ"].push_back("aluminum");
|
---|
564 | BasisList["aug-cc-pVTZ"].push_back("silicon");
|
---|
565 | BasisList["aug-cc-pVTZ"].push_back("phosphorus");
|
---|
566 | BasisList["aug-cc-pVTZ"].push_back("sulfur");
|
---|
567 | BasisList["aug-cc-pVTZ"].push_back("chlorine");
|
---|
568 | BasisList["aug-cc-pVTZ"].push_back("argon");
|
---|
569 | BasisList["aug-cc-pVTZ"].push_back("gallium");
|
---|
570 | BasisList["aug-cc-pVTZ"].push_back("germanium");
|
---|
571 | BasisList["aug-cc-pVTZ"].push_back("arsenic");
|
---|
572 | BasisList["aug-cc-pVTZ"].push_back("selenium");
|
---|
573 | BasisList["aug-cc-pVTZ"].push_back("bromine");
|
---|
574 | BasisList["aug-cc-pVTZ"].push_back("krypton");
|
---|
575 | BasisList["augmentation-cc-pV5Z-DK"].push_back("scandium");
|
---|
576 | BasisList["augmentation-cc-pV5Z-DK"].push_back("titanium");
|
---|
577 | BasisList["augmentation-cc-pV5Z-DK"].push_back("vanadium");
|
---|
578 | BasisList["augmentation-cc-pV5Z-DK"].push_back("chromium");
|
---|
579 | BasisList["augmentation-cc-pV5Z-DK"].push_back("manganese");
|
---|
580 | BasisList["augmentation-cc-pV5Z-DK"].push_back("iron");
|
---|
581 | BasisList["augmentation-cc-pV5Z-DK"].push_back("cobalt");
|
---|
582 | BasisList["augmentation-cc-pV5Z-DK"].push_back("nickel");
|
---|
583 | BasisList["augmentation-cc-pV5Z-DK"].push_back("copper");
|
---|
584 | BasisList["augmentation-cc-pV5Z-DK"].push_back("zinc");
|
---|
585 | BasisList["augmentation-cc-pV5Z"].push_back("hydrogen");
|
---|
586 | BasisList["augmentation-cc-pV5Z"].push_back("boron");
|
---|
587 | BasisList["augmentation-cc-pV5Z"].push_back("carbon");
|
---|
588 | BasisList["augmentation-cc-pV5Z"].push_back("nitrogen");
|
---|
589 | BasisList["augmentation-cc-pV5Z"].push_back("oxygen");
|
---|
590 | BasisList["augmentation-cc-pV5Z"].push_back("fluorine");
|
---|
591 | BasisList["augmentation-cc-pV5Z"].push_back("neon");
|
---|
592 | BasisList["augmentation-cc-pV5Z"].push_back("aluminum");
|
---|
593 | BasisList["augmentation-cc-pV5Z"].push_back("silicon");
|
---|
594 | BasisList["augmentation-cc-pV5Z"].push_back("phosphorus");
|
---|
595 | BasisList["augmentation-cc-pV5Z"].push_back("sulfur");
|
---|
596 | BasisList["augmentation-cc-pV5Z"].push_back("chlorine");
|
---|
597 | BasisList["augmentation-cc-pV5Z"].push_back("argon");
|
---|
598 | BasisList["augmentation-cc-pV5Z"].push_back("gallium");
|
---|
599 | BasisList["augmentation-cc-pV5Z"].push_back("germanium");
|
---|
600 | BasisList["augmentation-cc-pV5Z"].push_back("arsenic");
|
---|
601 | BasisList["augmentation-cc-pV5Z"].push_back("selenium");
|
---|
602 | BasisList["augmentation-cc-pV5Z"].push_back("bromine");
|
---|
603 | BasisList["augmentation-cc-pV5Z"].push_back("krypton");
|
---|
604 | BasisList["augmentation-cc-pV5Z"].push_back("scandium");
|
---|
605 | BasisList["augmentation-cc-pV5Z"].push_back("titanium");
|
---|
606 | BasisList["augmentation-cc-pV5Z"].push_back("vanadium");
|
---|
607 | BasisList["augmentation-cc-pV5Z"].push_back("chromium");
|
---|
608 | BasisList["augmentation-cc-pV5Z"].push_back("manganese");
|
---|
609 | BasisList["augmentation-cc-pV5Z"].push_back("iron");
|
---|
610 | BasisList["augmentation-cc-pV5Z"].push_back("cobalt");
|
---|
611 | BasisList["augmentation-cc-pV5Z"].push_back("nickel");
|
---|
612 | BasisList["augmentation-cc-pV5Z"].push_back("copper");
|
---|
613 | BasisList["augmentation-cc-pV5Z"].push_back("zinc");
|
---|
614 | BasisList["augmentation-cc-pV5Z-RI"].push_back("hydrogen");
|
---|
615 | BasisList["augmentation-cc-pV5Z-RI"].push_back("helium");
|
---|
616 | BasisList["augmentation-cc-pV5Z-RI"].push_back("boron");
|
---|
617 | BasisList["augmentation-cc-pV5Z-RI"].push_back("carbon");
|
---|
618 | BasisList["augmentation-cc-pV5Z-RI"].push_back("nitrogen");
|
---|
619 | BasisList["augmentation-cc-pV5Z-RI"].push_back("oxygen");
|
---|
620 | BasisList["augmentation-cc-pV5Z-RI"].push_back("fluorine");
|
---|
621 | BasisList["augmentation-cc-pV5Z-RI"].push_back("neon");
|
---|
622 | BasisList["augmentation-cc-pV5Z-RI"].push_back("aluminum");
|
---|
623 | BasisList["augmentation-cc-pV5Z-RI"].push_back("silicon");
|
---|
624 | BasisList["augmentation-cc-pV5Z-RI"].push_back("phosphorus");
|
---|
625 | BasisList["augmentation-cc-pV5Z-RI"].push_back("sulfur");
|
---|
626 | BasisList["augmentation-cc-pV5Z-RI"].push_back("chlorine");
|
---|
627 | BasisList["augmentation-cc-pV5Z-RI"].push_back("argon");
|
---|
628 | BasisList["augmentation-cc-pV6Z"].push_back("hydrogen");
|
---|
629 | BasisList["augmentation-cc-pV6Z"].push_back("helium");
|
---|
630 | BasisList["augmentation-cc-pV6Z"].push_back("boron");
|
---|
631 | BasisList["augmentation-cc-pV6Z"].push_back("carbon");
|
---|
632 | BasisList["augmentation-cc-pV6Z"].push_back("nitrogen");
|
---|
633 | BasisList["augmentation-cc-pV6Z"].push_back("oxygen");
|
---|
634 | BasisList["augmentation-cc-pV6Z"].push_back("fluorine");
|
---|
635 | BasisList["augmentation-cc-pV6Z"].push_back("neon");
|
---|
636 | BasisList["augmentation-cc-pV6Z"].push_back("aluminum");
|
---|
637 | BasisList["augmentation-cc-pV6Z"].push_back("silicon");
|
---|
638 | BasisList["augmentation-cc-pV6Z"].push_back("phosphorus");
|
---|
639 | BasisList["augmentation-cc-pV6Z"].push_back("sulfur");
|
---|
640 | BasisList["augmentation-cc-pV6Z"].push_back("chlorine");
|
---|
641 | BasisList["augmentation-cc-pV6Z"].push_back("argon");
|
---|
642 | BasisList["augmentation-cc-pV6Z-RI"].push_back("hydrogen");
|
---|
643 | BasisList["augmentation-cc-pV6Z-RI"].push_back("helium");
|
---|
644 | BasisList["augmentation-cc-pV6Z-RI"].push_back("boron");
|
---|
645 | BasisList["augmentation-cc-pV6Z-RI"].push_back("carbon");
|
---|
646 | BasisList["augmentation-cc-pV6Z-RI"].push_back("nitrogen");
|
---|
647 | BasisList["augmentation-cc-pV6Z-RI"].push_back("oxygen");
|
---|
648 | BasisList["augmentation-cc-pV6Z-RI"].push_back("fluorine");
|
---|
649 | BasisList["augmentation-cc-pV6Z-RI"].push_back("neon");
|
---|
650 | BasisList["augmentation-cc-pV6Z-RI"].push_back("aluminum");
|
---|
651 | BasisList["augmentation-cc-pV6Z-RI"].push_back("silicon");
|
---|
652 | BasisList["augmentation-cc-pV6Z-RI"].push_back("phosphorus");
|
---|
653 | BasisList["augmentation-cc-pV6Z-RI"].push_back("sulfur");
|
---|
654 | BasisList["augmentation-cc-pV6Z-RI"].push_back("chlorine");
|
---|
655 | BasisList["augmentation-cc-pV6Z-RI"].push_back("argon");
|
---|
656 | BasisList["augmentation-cc-pVDZ"].push_back("hydrogen");
|
---|
657 | BasisList["augmentation-cc-pVDZ"].push_back("boron");
|
---|
658 | BasisList["augmentation-cc-pVDZ"].push_back("carbon");
|
---|
659 | BasisList["augmentation-cc-pVDZ"].push_back("nitrogen");
|
---|
660 | BasisList["augmentation-cc-pVDZ"].push_back("oxygen");
|
---|
661 | BasisList["augmentation-cc-pVDZ"].push_back("fluorine");
|
---|
662 | BasisList["augmentation-cc-pVDZ"].push_back("neon");
|
---|
663 | BasisList["augmentation-cc-pVDZ"].push_back("aluminum");
|
---|
664 | BasisList["augmentation-cc-pVDZ"].push_back("silicon");
|
---|
665 | BasisList["augmentation-cc-pVDZ"].push_back("phosphorus");
|
---|
666 | BasisList["augmentation-cc-pVDZ"].push_back("sulfur");
|
---|
667 | BasisList["augmentation-cc-pVDZ"].push_back("chlorine");
|
---|
668 | BasisList["augmentation-cc-pVDZ"].push_back("argon");
|
---|
669 | BasisList["augmentation-cc-pVDZ"].push_back("gallium");
|
---|
670 | BasisList["augmentation-cc-pVDZ"].push_back("germanium");
|
---|
671 | BasisList["augmentation-cc-pVDZ"].push_back("arsenic");
|
---|
672 | BasisList["augmentation-cc-pVDZ"].push_back("selenium");
|
---|
673 | BasisList["augmentation-cc-pVDZ"].push_back("bromine");
|
---|
674 | BasisList["augmentation-cc-pVDZ"].push_back("krypton");
|
---|
675 | BasisList["augmentation-cc-pVDZ-RI"].push_back("hydrogen");
|
---|
676 | BasisList["augmentation-cc-pVDZ-RI"].push_back("helium");
|
---|
677 | BasisList["augmentation-cc-pVDZ-RI"].push_back("boron");
|
---|
678 | BasisList["augmentation-cc-pVDZ-RI"].push_back("carbon");
|
---|
679 | BasisList["augmentation-cc-pVDZ-RI"].push_back("nitrogen");
|
---|
680 | BasisList["augmentation-cc-pVDZ-RI"].push_back("oxygen");
|
---|
681 | BasisList["augmentation-cc-pVDZ-RI"].push_back("fluorine");
|
---|
682 | BasisList["augmentation-cc-pVDZ-RI"].push_back("neon");
|
---|
683 | BasisList["augmentation-cc-pVDZ-RI"].push_back("aluminum");
|
---|
684 | BasisList["augmentation-cc-pVDZ-RI"].push_back("silicon");
|
---|
685 | BasisList["augmentation-cc-pVDZ-RI"].push_back("phosphorus");
|
---|
686 | BasisList["augmentation-cc-pVDZ-RI"].push_back("sulfur");
|
---|
687 | BasisList["augmentation-cc-pVDZ-RI"].push_back("chlorine");
|
---|
688 | BasisList["augmentation-cc-pVDZ-RI"].push_back("argon");
|
---|
689 | BasisList["augmentation-cc-pVQZ-DK"].push_back("scandium");
|
---|
690 | BasisList["augmentation-cc-pVQZ-DK"].push_back("titanium");
|
---|
691 | BasisList["augmentation-cc-pVQZ-DK"].push_back("vanadium");
|
---|
692 | BasisList["augmentation-cc-pVQZ-DK"].push_back("chromium");
|
---|
693 | BasisList["augmentation-cc-pVQZ-DK"].push_back("manganese");
|
---|
694 | BasisList["augmentation-cc-pVQZ-DK"].push_back("iron");
|
---|
695 | BasisList["augmentation-cc-pVQZ-DK"].push_back("cobalt");
|
---|
696 | BasisList["augmentation-cc-pVQZ-DK"].push_back("nickel");
|
---|
697 | BasisList["augmentation-cc-pVQZ-DK"].push_back("copper");
|
---|
698 | BasisList["augmentation-cc-pVQZ-DK"].push_back("zinc");
|
---|
699 | BasisList["augmentation-cc-pVQZ"].push_back("hydrogen");
|
---|
700 | BasisList["augmentation-cc-pVQZ"].push_back("boron");
|
---|
701 | BasisList["augmentation-cc-pVQZ"].push_back("carbon");
|
---|
702 | BasisList["augmentation-cc-pVQZ"].push_back("nitrogen");
|
---|
703 | BasisList["augmentation-cc-pVQZ"].push_back("oxygen");
|
---|
704 | BasisList["augmentation-cc-pVQZ"].push_back("fluorine");
|
---|
705 | BasisList["augmentation-cc-pVQZ"].push_back("neon");
|
---|
706 | BasisList["augmentation-cc-pVQZ"].push_back("aluminum");
|
---|
707 | BasisList["augmentation-cc-pVQZ"].push_back("silicon");
|
---|
708 | BasisList["augmentation-cc-pVQZ"].push_back("phosphorus");
|
---|
709 | BasisList["augmentation-cc-pVQZ"].push_back("sulfur");
|
---|
710 | BasisList["augmentation-cc-pVQZ"].push_back("chlorine");
|
---|
711 | BasisList["augmentation-cc-pVQZ"].push_back("argon");
|
---|
712 | BasisList["augmentation-cc-pVQZ"].push_back("gallium");
|
---|
713 | BasisList["augmentation-cc-pVQZ"].push_back("germanium");
|
---|
714 | BasisList["augmentation-cc-pVQZ"].push_back("arsenic");
|
---|
715 | BasisList["augmentation-cc-pVQZ"].push_back("selenium");
|
---|
716 | BasisList["augmentation-cc-pVQZ"].push_back("bromine");
|
---|
717 | BasisList["augmentation-cc-pVQZ"].push_back("krypton");
|
---|
718 | BasisList["augmentation-cc-pVQZ"].push_back("scandium");
|
---|
719 | BasisList["augmentation-cc-pVQZ"].push_back("titanium");
|
---|
720 | BasisList["augmentation-cc-pVQZ"].push_back("vanadium");
|
---|
721 | BasisList["augmentation-cc-pVQZ"].push_back("chromium");
|
---|
722 | BasisList["augmentation-cc-pVQZ"].push_back("manganese");
|
---|
723 | BasisList["augmentation-cc-pVQZ"].push_back("iron");
|
---|
724 | BasisList["augmentation-cc-pVQZ"].push_back("cobalt");
|
---|
725 | BasisList["augmentation-cc-pVQZ"].push_back("nickel");
|
---|
726 | BasisList["augmentation-cc-pVQZ"].push_back("copper");
|
---|
727 | BasisList["augmentation-cc-pVQZ"].push_back("zinc");
|
---|
728 | BasisList["augmentation-cc-pVQZ-RI"].push_back("hydrogen");
|
---|
729 | BasisList["augmentation-cc-pVQZ-RI"].push_back("helium");
|
---|
730 | BasisList["augmentation-cc-pVQZ-RI"].push_back("boron");
|
---|
731 | BasisList["augmentation-cc-pVQZ-RI"].push_back("carbon");
|
---|
732 | BasisList["augmentation-cc-pVQZ-RI"].push_back("nitrogen");
|
---|
733 | BasisList["augmentation-cc-pVQZ-RI"].push_back("oxygen");
|
---|
734 | BasisList["augmentation-cc-pVQZ-RI"].push_back("fluorine");
|
---|
735 | BasisList["augmentation-cc-pVQZ-RI"].push_back("neon");
|
---|
736 | BasisList["augmentation-cc-pVQZ-RI"].push_back("aluminum");
|
---|
737 | BasisList["augmentation-cc-pVQZ-RI"].push_back("silicon");
|
---|
738 | BasisList["augmentation-cc-pVQZ-RI"].push_back("phosphorus");
|
---|
739 | BasisList["augmentation-cc-pVQZ-RI"].push_back("sulfur");
|
---|
740 | BasisList["augmentation-cc-pVQZ-RI"].push_back("chlorine");
|
---|
741 | BasisList["augmentation-cc-pVQZ-RI"].push_back("argon");
|
---|
742 | BasisList["augmentation-cc-pVTZ-DK"].push_back("scandium");
|
---|
743 | BasisList["augmentation-cc-pVTZ-DK"].push_back("titanium");
|
---|
744 | BasisList["augmentation-cc-pVTZ-DK"].push_back("vanadium");
|
---|
745 | BasisList["augmentation-cc-pVTZ-DK"].push_back("chromium");
|
---|
746 | BasisList["augmentation-cc-pVTZ-DK"].push_back("manganese");
|
---|
747 | BasisList["augmentation-cc-pVTZ-DK"].push_back("iron");
|
---|
748 | BasisList["augmentation-cc-pVTZ-DK"].push_back("cobalt");
|
---|
749 | BasisList["augmentation-cc-pVTZ-DK"].push_back("nickel");
|
---|
750 | BasisList["augmentation-cc-pVTZ-DK"].push_back("copper");
|
---|
751 | BasisList["augmentation-cc-pVTZ-DK"].push_back("zinc");
|
---|
752 | BasisList["augmentation-cc-pVTZ"].push_back("hydrogen");
|
---|
753 | BasisList["augmentation-cc-pVTZ"].push_back("boron");
|
---|
754 | BasisList["augmentation-cc-pVTZ"].push_back("carbon");
|
---|
755 | BasisList["augmentation-cc-pVTZ"].push_back("nitrogen");
|
---|
756 | BasisList["augmentation-cc-pVTZ"].push_back("oxygen");
|
---|
757 | BasisList["augmentation-cc-pVTZ"].push_back("fluorine");
|
---|
758 | BasisList["augmentation-cc-pVTZ"].push_back("neon");
|
---|
759 | BasisList["augmentation-cc-pVTZ"].push_back("aluminum");
|
---|
760 | BasisList["augmentation-cc-pVTZ"].push_back("silicon");
|
---|
761 | BasisList["augmentation-cc-pVTZ"].push_back("phosphorus");
|
---|
762 | BasisList["augmentation-cc-pVTZ"].push_back("sulfur");
|
---|
763 | BasisList["augmentation-cc-pVTZ"].push_back("chlorine");
|
---|
764 | BasisList["augmentation-cc-pVTZ"].push_back("argon");
|
---|
765 | BasisList["augmentation-cc-pVTZ"].push_back("gallium");
|
---|
766 | BasisList["augmentation-cc-pVTZ"].push_back("germanium");
|
---|
767 | BasisList["augmentation-cc-pVTZ"].push_back("arsenic");
|
---|
768 | BasisList["augmentation-cc-pVTZ"].push_back("selenium");
|
---|
769 | BasisList["augmentation-cc-pVTZ"].push_back("bromine");
|
---|
770 | BasisList["augmentation-cc-pVTZ"].push_back("krypton");
|
---|
771 | BasisList["augmentation-cc-pVTZ"].push_back("scandium");
|
---|
772 | BasisList["augmentation-cc-pVTZ"].push_back("titanium");
|
---|
773 | BasisList["augmentation-cc-pVTZ"].push_back("vanadium");
|
---|
774 | BasisList["augmentation-cc-pVTZ"].push_back("chromium");
|
---|
775 | BasisList["augmentation-cc-pVTZ"].push_back("manganese");
|
---|
776 | BasisList["augmentation-cc-pVTZ"].push_back("iron");
|
---|
777 | BasisList["augmentation-cc-pVTZ"].push_back("cobalt");
|
---|
778 | BasisList["augmentation-cc-pVTZ"].push_back("nickel");
|
---|
779 | BasisList["augmentation-cc-pVTZ"].push_back("copper");
|
---|
780 | BasisList["augmentation-cc-pVTZ"].push_back("zinc");
|
---|
781 | BasisList["augmentation-cc-pVTZ-RI"].push_back("hydrogen");
|
---|
782 | BasisList["augmentation-cc-pVTZ-RI"].push_back("helium");
|
---|
783 | BasisList["augmentation-cc-pVTZ-RI"].push_back("boron");
|
---|
784 | BasisList["augmentation-cc-pVTZ-RI"].push_back("carbon");
|
---|
785 | BasisList["augmentation-cc-pVTZ-RI"].push_back("nitrogen");
|
---|
786 | BasisList["augmentation-cc-pVTZ-RI"].push_back("oxygen");
|
---|
787 | BasisList["augmentation-cc-pVTZ-RI"].push_back("fluorine");
|
---|
788 | BasisList["augmentation-cc-pVTZ-RI"].push_back("neon");
|
---|
789 | BasisList["augmentation-cc-pVTZ-RI"].push_back("aluminum");
|
---|
790 | BasisList["augmentation-cc-pVTZ-RI"].push_back("silicon");
|
---|
791 | BasisList["augmentation-cc-pVTZ-RI"].push_back("phosphorus");
|
---|
792 | BasisList["augmentation-cc-pVTZ-RI"].push_back("sulfur");
|
---|
793 | BasisList["augmentation-cc-pVTZ-RI"].push_back("chlorine");
|
---|
794 | BasisList["augmentation-cc-pVTZ-RI"].push_back("argon");
|
---|
795 | BasisList["cc-pCV5Z"].push_back("boron");
|
---|
796 | BasisList["cc-pCV5Z"].push_back("carbon");
|
---|
797 | BasisList["cc-pCV5Z"].push_back("nitrogen");
|
---|
798 | BasisList["cc-pCV5Z"].push_back("oxygen");
|
---|
799 | BasisList["cc-pCV5Z"].push_back("fluorine");
|
---|
800 | BasisList["cc-pCV5Z"].push_back("neon");
|
---|
801 | BasisList["cc-pCVDZ"].push_back("lithium");
|
---|
802 | BasisList["cc-pCVDZ"].push_back("boron");
|
---|
803 | BasisList["cc-pCVDZ"].push_back("carbon");
|
---|
804 | BasisList["cc-pCVDZ"].push_back("nitrogen");
|
---|
805 | BasisList["cc-pCVDZ"].push_back("oxygen");
|
---|
806 | BasisList["cc-pCVDZ"].push_back("fluorine");
|
---|
807 | BasisList["cc-pCVDZ"].push_back("neon");
|
---|
808 | BasisList["cc-pCVDZ"].push_back("sodium");
|
---|
809 | BasisList["cc-pCVDZ"].push_back("magnesium");
|
---|
810 | BasisList["cc-pCVDZ"].push_back("aluminum");
|
---|
811 | BasisList["cc-pCVDZ"].push_back("silicon");
|
---|
812 | BasisList["cc-pCVDZ"].push_back("phosphorus");
|
---|
813 | BasisList["cc-pCVDZ"].push_back("sulfur");
|
---|
814 | BasisList["cc-pCVDZ"].push_back("chlorine");
|
---|
815 | BasisList["cc-pCVDZ"].push_back("argon");
|
---|
816 | BasisList["cc-pCVQZ"].push_back("lithium");
|
---|
817 | BasisList["cc-pCVQZ"].push_back("boron");
|
---|
818 | BasisList["cc-pCVQZ"].push_back("carbon");
|
---|
819 | BasisList["cc-pCVQZ"].push_back("nitrogen");
|
---|
820 | BasisList["cc-pCVQZ"].push_back("oxygen");
|
---|
821 | BasisList["cc-pCVQZ"].push_back("fluorine");
|
---|
822 | BasisList["cc-pCVQZ"].push_back("neon");
|
---|
823 | BasisList["cc-pCVQZ"].push_back("sodium");
|
---|
824 | BasisList["cc-pCVQZ"].push_back("magnesium");
|
---|
825 | BasisList["cc-pCVQZ"].push_back("aluminum");
|
---|
826 | BasisList["cc-pCVQZ"].push_back("silicon");
|
---|
827 | BasisList["cc-pCVQZ"].push_back("phosphorus");
|
---|
828 | BasisList["cc-pCVQZ"].push_back("sulfur");
|
---|
829 | BasisList["cc-pCVQZ"].push_back("chlorine");
|
---|
830 | BasisList["cc-pCVQZ"].push_back("argon");
|
---|
831 | BasisList["cc-pCVTZ"].push_back("lithium");
|
---|
832 | BasisList["cc-pCVTZ"].push_back("boron");
|
---|
833 | BasisList["cc-pCVTZ"].push_back("carbon");
|
---|
834 | BasisList["cc-pCVTZ"].push_back("nitrogen");
|
---|
835 | BasisList["cc-pCVTZ"].push_back("oxygen");
|
---|
836 | BasisList["cc-pCVTZ"].push_back("fluorine");
|
---|
837 | BasisList["cc-pCVTZ"].push_back("neon");
|
---|
838 | BasisList["cc-pCVTZ"].push_back("sodium");
|
---|
839 | BasisList["cc-pCVTZ"].push_back("magnesium");
|
---|
840 | BasisList["cc-pCVTZ"].push_back("aluminum");
|
---|
841 | BasisList["cc-pCVTZ"].push_back("silicon");
|
---|
842 | BasisList["cc-pCVTZ"].push_back("phosphorus");
|
---|
843 | BasisList["cc-pCVTZ"].push_back("sulfur");
|
---|
844 | BasisList["cc-pCVTZ"].push_back("chlorine");
|
---|
845 | BasisList["cc-pCVTZ"].push_back("argon");
|
---|
846 | BasisList["cc-pV5Z-DK"].push_back("hydrogen");
|
---|
847 | BasisList["cc-pV5Z-DK"].push_back("helium");
|
---|
848 | BasisList["cc-pV5Z-DK"].push_back("lithium");
|
---|
849 | BasisList["cc-pV5Z-DK"].push_back("beryllium");
|
---|
850 | BasisList["cc-pV5Z-DK"].push_back("boron");
|
---|
851 | BasisList["cc-pV5Z-DK"].push_back("carbon");
|
---|
852 | BasisList["cc-pV5Z-DK"].push_back("nitrogen");
|
---|
853 | BasisList["cc-pV5Z-DK"].push_back("oxygen");
|
---|
854 | BasisList["cc-pV5Z-DK"].push_back("fluorine");
|
---|
855 | BasisList["cc-pV5Z-DK"].push_back("neon");
|
---|
856 | BasisList["cc-pV5Z-DK"].push_back("aluminum");
|
---|
857 | BasisList["cc-pV5Z-DK"].push_back("silicon");
|
---|
858 | BasisList["cc-pV5Z-DK"].push_back("phosphorus");
|
---|
859 | BasisList["cc-pV5Z-DK"].push_back("sulfur");
|
---|
860 | BasisList["cc-pV5Z-DK"].push_back("chlorine");
|
---|
861 | BasisList["cc-pV5Z-DK"].push_back("argon");
|
---|
862 | BasisList["cc-pV5Z-DK"].push_back("gallium");
|
---|
863 | BasisList["cc-pV5Z-DK"].push_back("germanium");
|
---|
864 | BasisList["cc-pV5Z-DK"].push_back("arsenic");
|
---|
865 | BasisList["cc-pV5Z-DK"].push_back("selenium");
|
---|
866 | BasisList["cc-pV5Z-DK"].push_back("bromine");
|
---|
867 | BasisList["cc-pV5Z-DK"].push_back("krypton");
|
---|
868 | BasisList["cc-pV5Z-DK"].push_back("scandium");
|
---|
869 | BasisList["cc-pV5Z-DK"].push_back("titanium");
|
---|
870 | BasisList["cc-pV5Z-DK"].push_back("vanadium");
|
---|
871 | BasisList["cc-pV5Z-DK"].push_back("chromium");
|
---|
872 | BasisList["cc-pV5Z-DK"].push_back("manganese");
|
---|
873 | BasisList["cc-pV5Z-DK"].push_back("iron");
|
---|
874 | BasisList["cc-pV5Z-DK"].push_back("cobalt");
|
---|
875 | BasisList["cc-pV5Z-DK"].push_back("nickel");
|
---|
876 | BasisList["cc-pV5Z-DK"].push_back("copper");
|
---|
877 | BasisList["cc-pV5Z-DK"].push_back("zinc");
|
---|
878 | BasisList["cc-pV5Z"].push_back("hydrogen");
|
---|
879 | BasisList["cc-pV5Z"].push_back("helium");
|
---|
880 | BasisList["cc-pV5Z"].push_back("lithium");
|
---|
881 | BasisList["cc-pV5Z"].push_back("beryllium");
|
---|
882 | BasisList["cc-pV5Z"].push_back("boron");
|
---|
883 | BasisList["cc-pV5Z"].push_back("carbon");
|
---|
884 | BasisList["cc-pV5Z"].push_back("nitrogen");
|
---|
885 | BasisList["cc-pV5Z"].push_back("oxygen");
|
---|
886 | BasisList["cc-pV5Z"].push_back("fluorine");
|
---|
887 | BasisList["cc-pV5Z"].push_back("neon");
|
---|
888 | BasisList["cc-pV5Z"].push_back("sodium");
|
---|
889 | BasisList["cc-pV5Z"].push_back("magnesium");
|
---|
890 | BasisList["cc-pV5Z"].push_back("aluminum");
|
---|
891 | BasisList["cc-pV5Z"].push_back("silicon");
|
---|
892 | BasisList["cc-pV5Z"].push_back("phosphorus");
|
---|
893 | BasisList["cc-pV5Z"].push_back("sulfur");
|
---|
894 | BasisList["cc-pV5Z"].push_back("chlorine");
|
---|
895 | BasisList["cc-pV5Z"].push_back("argon");
|
---|
896 | BasisList["cc-pV5Z"].push_back("calcium");
|
---|
897 | BasisList["cc-pV5Z"].push_back("gallium");
|
---|
898 | BasisList["cc-pV5Z"].push_back("germanium");
|
---|
899 | BasisList["cc-pV5Z"].push_back("arsenic");
|
---|
900 | BasisList["cc-pV5Z"].push_back("selenium");
|
---|
901 | BasisList["cc-pV5Z"].push_back("bromine");
|
---|
902 | BasisList["cc-pV5Z"].push_back("krypton");
|
---|
903 | BasisList["cc-pV5Z"].push_back("scandium");
|
---|
904 | BasisList["cc-pV5Z"].push_back("titanium");
|
---|
905 | BasisList["cc-pV5Z"].push_back("vanadium");
|
---|
906 | BasisList["cc-pV5Z"].push_back("chromium");
|
---|
907 | BasisList["cc-pV5Z"].push_back("manganese");
|
---|
908 | BasisList["cc-pV5Z"].push_back("iron");
|
---|
909 | BasisList["cc-pV5Z"].push_back("cobalt");
|
---|
910 | BasisList["cc-pV5Z"].push_back("nickel");
|
---|
911 | BasisList["cc-pV5Z"].push_back("copper");
|
---|
912 | BasisList["cc-pV5Z"].push_back("zinc");
|
---|
913 | BasisList["cc-pV5Z-RI"].push_back("hydrogen");
|
---|
914 | BasisList["cc-pV5Z-RI"].push_back("helium");
|
---|
915 | BasisList["cc-pV5Z-RI"].push_back("lithium");
|
---|
916 | BasisList["cc-pV5Z-RI"].push_back("beryllium");
|
---|
917 | BasisList["cc-pV5Z-RI"].push_back("boron");
|
---|
918 | BasisList["cc-pV5Z-RI"].push_back("carbon");
|
---|
919 | BasisList["cc-pV5Z-RI"].push_back("nitrogen");
|
---|
920 | BasisList["cc-pV5Z-RI"].push_back("oxygen");
|
---|
921 | BasisList["cc-pV5Z-RI"].push_back("fluorine");
|
---|
922 | BasisList["cc-pV5Z-RI"].push_back("neon");
|
---|
923 | BasisList["cc-pV5Z-RI"].push_back("sodium");
|
---|
924 | BasisList["cc-pV5Z-RI"].push_back("magnesium");
|
---|
925 | BasisList["cc-pV5Z-RI"].push_back("aluminum");
|
---|
926 | BasisList["cc-pV5Z-RI"].push_back("silicon");
|
---|
927 | BasisList["cc-pV5Z-RI"].push_back("phosphorus");
|
---|
928 | BasisList["cc-pV5Z-RI"].push_back("sulfur");
|
---|
929 | BasisList["cc-pV5Z-RI"].push_back("chlorine");
|
---|
930 | BasisList["cc-pV5Z-RI"].push_back("argon");
|
---|
931 | BasisList["cc-pV6Z"].push_back("hydrogen");
|
---|
932 | BasisList["cc-pV6Z"].push_back("helium");
|
---|
933 | BasisList["cc-pV6Z"].push_back("boron");
|
---|
934 | BasisList["cc-pV6Z"].push_back("carbon");
|
---|
935 | BasisList["cc-pV6Z"].push_back("nitrogen");
|
---|
936 | BasisList["cc-pV6Z"].push_back("oxygen");
|
---|
937 | BasisList["cc-pV6Z"].push_back("fluorine");
|
---|
938 | BasisList["cc-pV6Z"].push_back("neon");
|
---|
939 | BasisList["cc-pV6Z"].push_back("aluminum");
|
---|
940 | BasisList["cc-pV6Z"].push_back("silicon");
|
---|
941 | BasisList["cc-pV6Z"].push_back("phosphorus");
|
---|
942 | BasisList["cc-pV6Z"].push_back("sulfur");
|
---|
943 | BasisList["cc-pV6Z"].push_back("chlorine");
|
---|
944 | BasisList["cc-pV6Z"].push_back("argon");
|
---|
945 | BasisList["cc-pV6Z-RI"].push_back("hydrogen");
|
---|
946 | BasisList["cc-pV6Z-RI"].push_back("helium");
|
---|
947 | BasisList["cc-pV6Z-RI"].push_back("lithium");
|
---|
948 | BasisList["cc-pV6Z-RI"].push_back("beryllium");
|
---|
949 | BasisList["cc-pV6Z-RI"].push_back("boron");
|
---|
950 | BasisList["cc-pV6Z-RI"].push_back("carbon");
|
---|
951 | BasisList["cc-pV6Z-RI"].push_back("nitrogen");
|
---|
952 | BasisList["cc-pV6Z-RI"].push_back("oxygen");
|
---|
953 | BasisList["cc-pV6Z-RI"].push_back("fluorine");
|
---|
954 | BasisList["cc-pV6Z-RI"].push_back("neon");
|
---|
955 | BasisList["cc-pV6Z-RI"].push_back("sodium");
|
---|
956 | BasisList["cc-pV6Z-RI"].push_back("magnesium");
|
---|
957 | BasisList["cc-pV6Z-RI"].push_back("aluminum");
|
---|
958 | BasisList["cc-pV6Z-RI"].push_back("silicon");
|
---|
959 | BasisList["cc-pV6Z-RI"].push_back("phosphorus");
|
---|
960 | BasisList["cc-pV6Z-RI"].push_back("sulfur");
|
---|
961 | BasisList["cc-pV6Z-RI"].push_back("chlorine");
|
---|
962 | BasisList["cc-pV6Z-RI"].push_back("argon");
|
---|
963 | BasisList["cc-pVDZ-DK"].push_back("hydrogen");
|
---|
964 | BasisList["cc-pVDZ-DK"].push_back("helium");
|
---|
965 | BasisList["cc-pVDZ-DK"].push_back("boron");
|
---|
966 | BasisList["cc-pVDZ-DK"].push_back("carbon");
|
---|
967 | BasisList["cc-pVDZ-DK"].push_back("nitrogen");
|
---|
968 | BasisList["cc-pVDZ-DK"].push_back("oxygen");
|
---|
969 | BasisList["cc-pVDZ-DK"].push_back("fluorine");
|
---|
970 | BasisList["cc-pVDZ-DK"].push_back("neon");
|
---|
971 | BasisList["cc-pVDZ-DK"].push_back("aluminum");
|
---|
972 | BasisList["cc-pVDZ-DK"].push_back("silicon");
|
---|
973 | BasisList["cc-pVDZ-DK"].push_back("phosphorus");
|
---|
974 | BasisList["cc-pVDZ-DK"].push_back("sulfur");
|
---|
975 | BasisList["cc-pVDZ-DK"].push_back("chlorine");
|
---|
976 | BasisList["cc-pVDZ-DK"].push_back("argon");
|
---|
977 | BasisList["cc-pVDZ-DK"].push_back("gallium");
|
---|
978 | BasisList["cc-pVDZ-DK"].push_back("germanium");
|
---|
979 | BasisList["cc-pVDZ-DK"].push_back("arsenic");
|
---|
980 | BasisList["cc-pVDZ-DK"].push_back("selenium");
|
---|
981 | BasisList["cc-pVDZ-DK"].push_back("bromine");
|
---|
982 | BasisList["cc-pVDZ-DK"].push_back("krypton");
|
---|
983 | BasisList["cc-pVDZ"].push_back("hydrogen");
|
---|
984 | BasisList["cc-pVDZ"].push_back("helium");
|
---|
985 | BasisList["cc-pVDZ"].push_back("lithium");
|
---|
986 | BasisList["cc-pVDZ"].push_back("beryllium");
|
---|
987 | BasisList["cc-pVDZ"].push_back("boron");
|
---|
988 | BasisList["cc-pVDZ"].push_back("carbon");
|
---|
989 | BasisList["cc-pVDZ"].push_back("nitrogen");
|
---|
990 | BasisList["cc-pVDZ"].push_back("oxygen");
|
---|
991 | BasisList["cc-pVDZ"].push_back("fluorine");
|
---|
992 | BasisList["cc-pVDZ"].push_back("neon");
|
---|
993 | BasisList["cc-pVDZ"].push_back("sodium");
|
---|
994 | BasisList["cc-pVDZ"].push_back("magnesium");
|
---|
995 | BasisList["cc-pVDZ"].push_back("aluminum");
|
---|
996 | BasisList["cc-pVDZ"].push_back("silicon");
|
---|
997 | BasisList["cc-pVDZ"].push_back("phosphorus");
|
---|
998 | BasisList["cc-pVDZ"].push_back("sulfur");
|
---|
999 | BasisList["cc-pVDZ"].push_back("chlorine");
|
---|
1000 | BasisList["cc-pVDZ"].push_back("argon");
|
---|
1001 | BasisList["cc-pVDZ"].push_back("calcium");
|
---|
1002 | BasisList["cc-pVDZ"].push_back("gallium");
|
---|
1003 | BasisList["cc-pVDZ"].push_back("germanium");
|
---|
1004 | BasisList["cc-pVDZ"].push_back("arsenic");
|
---|
1005 | BasisList["cc-pVDZ"].push_back("selenium");
|
---|
1006 | BasisList["cc-pVDZ"].push_back("bromine");
|
---|
1007 | BasisList["cc-pVDZ"].push_back("krypton");
|
---|
1008 | BasisList["cc-pVDZ-RI"].push_back("hydrogen");
|
---|
1009 | BasisList["cc-pVDZ-RI"].push_back("helium");
|
---|
1010 | BasisList["cc-pVDZ-RI"].push_back("lithium");
|
---|
1011 | BasisList["cc-pVDZ-RI"].push_back("beryllium");
|
---|
1012 | BasisList["cc-pVDZ-RI"].push_back("boron");
|
---|
1013 | BasisList["cc-pVDZ-RI"].push_back("carbon");
|
---|
1014 | BasisList["cc-pVDZ-RI"].push_back("nitrogen");
|
---|
1015 | BasisList["cc-pVDZ-RI"].push_back("oxygen");
|
---|
1016 | BasisList["cc-pVDZ-RI"].push_back("fluorine");
|
---|
1017 | BasisList["cc-pVDZ-RI"].push_back("neon");
|
---|
1018 | BasisList["cc-pVDZ-RI"].push_back("sodium");
|
---|
1019 | BasisList["cc-pVDZ-RI"].push_back("magnesium");
|
---|
1020 | BasisList["cc-pVDZ-RI"].push_back("aluminum");
|
---|
1021 | BasisList["cc-pVDZ-RI"].push_back("silicon");
|
---|
1022 | BasisList["cc-pVDZ-RI"].push_back("phosphorus");
|
---|
1023 | BasisList["cc-pVDZ-RI"].push_back("sulfur");
|
---|
1024 | BasisList["cc-pVDZ-RI"].push_back("chlorine");
|
---|
1025 | BasisList["cc-pVDZ-RI"].push_back("argon");
|
---|
1026 | BasisList["cc-pVQZ-DK"].push_back("hydrogen");
|
---|
1027 | BasisList["cc-pVQZ-DK"].push_back("helium");
|
---|
1028 | BasisList["cc-pVQZ-DK"].push_back("boron");
|
---|
1029 | BasisList["cc-pVQZ-DK"].push_back("carbon");
|
---|
1030 | BasisList["cc-pVQZ-DK"].push_back("nitrogen");
|
---|
1031 | BasisList["cc-pVQZ-DK"].push_back("oxygen");
|
---|
1032 | BasisList["cc-pVQZ-DK"].push_back("fluorine");
|
---|
1033 | BasisList["cc-pVQZ-DK"].push_back("neon");
|
---|
1034 | BasisList["cc-pVQZ-DK"].push_back("aluminum");
|
---|
1035 | BasisList["cc-pVQZ-DK"].push_back("silicon");
|
---|
1036 | BasisList["cc-pVQZ-DK"].push_back("phosphorus");
|
---|
1037 | BasisList["cc-pVQZ-DK"].push_back("sulfur");
|
---|
1038 | BasisList["cc-pVQZ-DK"].push_back("chlorine");
|
---|
1039 | BasisList["cc-pVQZ-DK"].push_back("argon");
|
---|
1040 | BasisList["cc-pVQZ-DK"].push_back("gallium");
|
---|
1041 | BasisList["cc-pVQZ-DK"].push_back("germanium");
|
---|
1042 | BasisList["cc-pVQZ-DK"].push_back("arsenic");
|
---|
1043 | BasisList["cc-pVQZ-DK"].push_back("selenium");
|
---|
1044 | BasisList["cc-pVQZ-DK"].push_back("bromine");
|
---|
1045 | BasisList["cc-pVQZ-DK"].push_back("krypton");
|
---|
1046 | BasisList["cc-pVQZ-DK"].push_back("scandium");
|
---|
1047 | BasisList["cc-pVQZ-DK"].push_back("titanium");
|
---|
1048 | BasisList["cc-pVQZ-DK"].push_back("vanadium");
|
---|
1049 | BasisList["cc-pVQZ-DK"].push_back("chromium");
|
---|
1050 | BasisList["cc-pVQZ-DK"].push_back("manganese");
|
---|
1051 | BasisList["cc-pVQZ-DK"].push_back("iron");
|
---|
1052 | BasisList["cc-pVQZ-DK"].push_back("cobalt");
|
---|
1053 | BasisList["cc-pVQZ-DK"].push_back("nickel");
|
---|
1054 | BasisList["cc-pVQZ-DK"].push_back("copper");
|
---|
1055 | BasisList["cc-pVQZ-DK"].push_back("zinc");
|
---|
1056 | BasisList["cc-pVQZ"].push_back("hydrogen");
|
---|
1057 | BasisList["cc-pVQZ"].push_back("helium");
|
---|
1058 | BasisList["cc-pVQZ"].push_back("lithium");
|
---|
1059 | BasisList["cc-pVQZ"].push_back("beryllium");
|
---|
1060 | BasisList["cc-pVQZ"].push_back("boron");
|
---|
1061 | BasisList["cc-pVQZ"].push_back("carbon");
|
---|
1062 | BasisList["cc-pVQZ"].push_back("nitrogen");
|
---|
1063 | BasisList["cc-pVQZ"].push_back("oxygen");
|
---|
1064 | BasisList["cc-pVQZ"].push_back("fluorine");
|
---|
1065 | BasisList["cc-pVQZ"].push_back("neon");
|
---|
1066 | BasisList["cc-pVQZ"].push_back("sodium");
|
---|
1067 | BasisList["cc-pVQZ"].push_back("magnesium");
|
---|
1068 | BasisList["cc-pVQZ"].push_back("aluminum");
|
---|
1069 | BasisList["cc-pVQZ"].push_back("silicon");
|
---|
1070 | BasisList["cc-pVQZ"].push_back("phosphorus");
|
---|
1071 | BasisList["cc-pVQZ"].push_back("sulfur");
|
---|
1072 | BasisList["cc-pVQZ"].push_back("chlorine");
|
---|
1073 | BasisList["cc-pVQZ"].push_back("argon");
|
---|
1074 | BasisList["cc-pVQZ"].push_back("calcium");
|
---|
1075 | BasisList["cc-pVQZ"].push_back("gallium");
|
---|
1076 | BasisList["cc-pVQZ"].push_back("germanium");
|
---|
1077 | BasisList["cc-pVQZ"].push_back("arsenic");
|
---|
1078 | BasisList["cc-pVQZ"].push_back("selenium");
|
---|
1079 | BasisList["cc-pVQZ"].push_back("bromine");
|
---|
1080 | BasisList["cc-pVQZ"].push_back("krypton");
|
---|
1081 | BasisList["cc-pVQZ"].push_back("scandium");
|
---|
1082 | BasisList["cc-pVQZ"].push_back("titanium");
|
---|
1083 | BasisList["cc-pVQZ"].push_back("vanadium");
|
---|
1084 | BasisList["cc-pVQZ"].push_back("chromium");
|
---|
1085 | BasisList["cc-pVQZ"].push_back("manganese");
|
---|
1086 | BasisList["cc-pVQZ"].push_back("iron");
|
---|
1087 | BasisList["cc-pVQZ"].push_back("cobalt");
|
---|
1088 | BasisList["cc-pVQZ"].push_back("nickel");
|
---|
1089 | BasisList["cc-pVQZ"].push_back("copper");
|
---|
1090 | BasisList["cc-pVQZ"].push_back("zinc");
|
---|
1091 | BasisList["cc-pVQZ-RI"].push_back("hydrogen");
|
---|
1092 | BasisList["cc-pVQZ-RI"].push_back("helium");
|
---|
1093 | BasisList["cc-pVQZ-RI"].push_back("lithium");
|
---|
1094 | BasisList["cc-pVQZ-RI"].push_back("beryllium");
|
---|
1095 | BasisList["cc-pVQZ-RI"].push_back("boron");
|
---|
1096 | BasisList["cc-pVQZ-RI"].push_back("carbon");
|
---|
1097 | BasisList["cc-pVQZ-RI"].push_back("nitrogen");
|
---|
1098 | BasisList["cc-pVQZ-RI"].push_back("oxygen");
|
---|
1099 | BasisList["cc-pVQZ-RI"].push_back("fluorine");
|
---|
1100 | BasisList["cc-pVQZ-RI"].push_back("neon");
|
---|
1101 | BasisList["cc-pVQZ-RI"].push_back("sodium");
|
---|
1102 | BasisList["cc-pVQZ-RI"].push_back("magnesium");
|
---|
1103 | BasisList["cc-pVQZ-RI"].push_back("aluminum");
|
---|
1104 | BasisList["cc-pVQZ-RI"].push_back("silicon");
|
---|
1105 | BasisList["cc-pVQZ-RI"].push_back("phosphorus");
|
---|
1106 | BasisList["cc-pVQZ-RI"].push_back("sulfur");
|
---|
1107 | BasisList["cc-pVQZ-RI"].push_back("chlorine");
|
---|
1108 | BasisList["cc-pVQZ-RI"].push_back("argon");
|
---|
1109 | BasisList["cc-pVTZ-DK"].push_back("hydrogen");
|
---|
1110 | BasisList["cc-pVTZ-DK"].push_back("helium");
|
---|
1111 | BasisList["cc-pVTZ-DK"].push_back("boron");
|
---|
1112 | BasisList["cc-pVTZ-DK"].push_back("carbon");
|
---|
1113 | BasisList["cc-pVTZ-DK"].push_back("nitrogen");
|
---|
1114 | BasisList["cc-pVTZ-DK"].push_back("oxygen");
|
---|
1115 | BasisList["cc-pVTZ-DK"].push_back("fluorine");
|
---|
1116 | BasisList["cc-pVTZ-DK"].push_back("neon");
|
---|
1117 | BasisList["cc-pVTZ-DK"].push_back("aluminum");
|
---|
1118 | BasisList["cc-pVTZ-DK"].push_back("silicon");
|
---|
1119 | BasisList["cc-pVTZ-DK"].push_back("phosphorus");
|
---|
1120 | BasisList["cc-pVTZ-DK"].push_back("sulfur");
|
---|
1121 | BasisList["cc-pVTZ-DK"].push_back("chlorine");
|
---|
1122 | BasisList["cc-pVTZ-DK"].push_back("argon");
|
---|
1123 | BasisList["cc-pVTZ-DK"].push_back("gallium");
|
---|
1124 | BasisList["cc-pVTZ-DK"].push_back("germanium");
|
---|
1125 | BasisList["cc-pVTZ-DK"].push_back("arsenic");
|
---|
1126 | BasisList["cc-pVTZ-DK"].push_back("selenium");
|
---|
1127 | BasisList["cc-pVTZ-DK"].push_back("bromine");
|
---|
1128 | BasisList["cc-pVTZ-DK"].push_back("krypton");
|
---|
1129 | BasisList["cc-pVTZ-DK"].push_back("scandium");
|
---|
1130 | BasisList["cc-pVTZ-DK"].push_back("titanium");
|
---|
1131 | BasisList["cc-pVTZ-DK"].push_back("vanadium");
|
---|
1132 | BasisList["cc-pVTZ-DK"].push_back("chromium");
|
---|
1133 | BasisList["cc-pVTZ-DK"].push_back("manganese");
|
---|
1134 | BasisList["cc-pVTZ-DK"].push_back("iron");
|
---|
1135 | BasisList["cc-pVTZ-DK"].push_back("cobalt");
|
---|
1136 | BasisList["cc-pVTZ-DK"].push_back("nickel");
|
---|
1137 | BasisList["cc-pVTZ-DK"].push_back("copper");
|
---|
1138 | BasisList["cc-pVTZ-DK"].push_back("zinc");
|
---|
1139 | BasisList["cc-pVTZ"].push_back("hydrogen");
|
---|
1140 | BasisList["cc-pVTZ"].push_back("helium");
|
---|
1141 | BasisList["cc-pVTZ"].push_back("lithium");
|
---|
1142 | BasisList["cc-pVTZ"].push_back("beryllium");
|
---|
1143 | BasisList["cc-pVTZ"].push_back("boron");
|
---|
1144 | BasisList["cc-pVTZ"].push_back("carbon");
|
---|
1145 | BasisList["cc-pVTZ"].push_back("nitrogen");
|
---|
1146 | BasisList["cc-pVTZ"].push_back("oxygen");
|
---|
1147 | BasisList["cc-pVTZ"].push_back("fluorine");
|
---|
1148 | BasisList["cc-pVTZ"].push_back("neon");
|
---|
1149 | BasisList["cc-pVTZ"].push_back("sodium");
|
---|
1150 | BasisList["cc-pVTZ"].push_back("magnesium");
|
---|
1151 | BasisList["cc-pVTZ"].push_back("aluminum");
|
---|
1152 | BasisList["cc-pVTZ"].push_back("silicon");
|
---|
1153 | BasisList["cc-pVTZ"].push_back("phosphorus");
|
---|
1154 | BasisList["cc-pVTZ"].push_back("sulfur");
|
---|
1155 | BasisList["cc-pVTZ"].push_back("chlorine");
|
---|
1156 | BasisList["cc-pVTZ"].push_back("argon");
|
---|
1157 | BasisList["cc-pVTZ"].push_back("calcium");
|
---|
1158 | BasisList["cc-pVTZ"].push_back("gallium");
|
---|
1159 | BasisList["cc-pVTZ"].push_back("germanium");
|
---|
1160 | BasisList["cc-pVTZ"].push_back("arsenic");
|
---|
1161 | BasisList["cc-pVTZ"].push_back("selenium");
|
---|
1162 | BasisList["cc-pVTZ"].push_back("bromine");
|
---|
1163 | BasisList["cc-pVTZ"].push_back("krypton");
|
---|
1164 | BasisList["cc-pVTZ"].push_back("scandium");
|
---|
1165 | BasisList["cc-pVTZ"].push_back("titanium");
|
---|
1166 | BasisList["cc-pVTZ"].push_back("vanadium");
|
---|
1167 | BasisList["cc-pVTZ"].push_back("chromium");
|
---|
1168 | BasisList["cc-pVTZ"].push_back("manganese");
|
---|
1169 | BasisList["cc-pVTZ"].push_back("iron");
|
---|
1170 | BasisList["cc-pVTZ"].push_back("cobalt");
|
---|
1171 | BasisList["cc-pVTZ"].push_back("nickel");
|
---|
1172 | BasisList["cc-pVTZ"].push_back("copper");
|
---|
1173 | BasisList["cc-pVTZ"].push_back("zinc");
|
---|
1174 | BasisList["cc-pVTZ-RI"].push_back("hydrogen");
|
---|
1175 | BasisList["cc-pVTZ-RI"].push_back("helium");
|
---|
1176 | BasisList["cc-pVTZ-RI"].push_back("lithium");
|
---|
1177 | BasisList["cc-pVTZ-RI"].push_back("beryllium");
|
---|
1178 | BasisList["cc-pVTZ-RI"].push_back("boron");
|
---|
1179 | BasisList["cc-pVTZ-RI"].push_back("carbon");
|
---|
1180 | BasisList["cc-pVTZ-RI"].push_back("nitrogen");
|
---|
1181 | BasisList["cc-pVTZ-RI"].push_back("oxygen");
|
---|
1182 | BasisList["cc-pVTZ-RI"].push_back("fluorine");
|
---|
1183 | BasisList["cc-pVTZ-RI"].push_back("neon");
|
---|
1184 | BasisList["cc-pVTZ-RI"].push_back("sodium");
|
---|
1185 | BasisList["cc-pVTZ-RI"].push_back("magnesium");
|
---|
1186 | BasisList["cc-pVTZ-RI"].push_back("aluminum");
|
---|
1187 | BasisList["cc-pVTZ-RI"].push_back("silicon");
|
---|
1188 | BasisList["cc-pVTZ-RI"].push_back("phosphorus");
|
---|
1189 | BasisList["cc-pVTZ-RI"].push_back("sulfur");
|
---|
1190 | BasisList["cc-pVTZ-RI"].push_back("chlorine");
|
---|
1191 | BasisList["cc-pVTZ-RI"].push_back("argon");
|
---|
1192 | BasisList["cc-pwCV5Z-DK"].push_back("scandium");
|
---|
1193 | BasisList["cc-pwCV5Z-DK"].push_back("titanium");
|
---|
1194 | BasisList["cc-pwCV5Z-DK"].push_back("vanadium");
|
---|
1195 | BasisList["cc-pwCV5Z-DK"].push_back("chromium");
|
---|
1196 | BasisList["cc-pwCV5Z-DK"].push_back("manganese");
|
---|
1197 | BasisList["cc-pwCV5Z-DK"].push_back("iron");
|
---|
1198 | BasisList["cc-pwCV5Z-DK"].push_back("cobalt");
|
---|
1199 | BasisList["cc-pwCV5Z-DK"].push_back("nickel");
|
---|
1200 | BasisList["cc-pwCV5Z-DK"].push_back("copper");
|
---|
1201 | BasisList["cc-pwCV5Z-DK"].push_back("zinc");
|
---|
1202 | BasisList["cc-pwCV5Z"].push_back("scandium");
|
---|
1203 | BasisList["cc-pwCV5Z"].push_back("titanium");
|
---|
1204 | BasisList["cc-pwCV5Z"].push_back("vanadium");
|
---|
1205 | BasisList["cc-pwCV5Z"].push_back("chromium");
|
---|
1206 | BasisList["cc-pwCV5Z"].push_back("manganese");
|
---|
1207 | BasisList["cc-pwCV5Z"].push_back("iron");
|
---|
1208 | BasisList["cc-pwCV5Z"].push_back("cobalt");
|
---|
1209 | BasisList["cc-pwCV5Z"].push_back("nickel");
|
---|
1210 | BasisList["cc-pwCV5Z"].push_back("copper");
|
---|
1211 | BasisList["cc-pwCV5Z"].push_back("zinc");
|
---|
1212 | BasisList["cc-pwCVQZ-DK"].push_back("scandium");
|
---|
1213 | BasisList["cc-pwCVQZ-DK"].push_back("titanium");
|
---|
1214 | BasisList["cc-pwCVQZ-DK"].push_back("vanadium");
|
---|
1215 | BasisList["cc-pwCVQZ-DK"].push_back("chromium");
|
---|
1216 | BasisList["cc-pwCVQZ-DK"].push_back("manganese");
|
---|
1217 | BasisList["cc-pwCVQZ-DK"].push_back("iron");
|
---|
1218 | BasisList["cc-pwCVQZ-DK"].push_back("cobalt");
|
---|
1219 | BasisList["cc-pwCVQZ-DK"].push_back("nickel");
|
---|
1220 | BasisList["cc-pwCVQZ-DK"].push_back("copper");
|
---|
1221 | BasisList["cc-pwCVQZ-DK"].push_back("zinc");
|
---|
1222 | BasisList["cc-pwCVQZ"].push_back("scandium");
|
---|
1223 | BasisList["cc-pwCVQZ"].push_back("titanium");
|
---|
1224 | BasisList["cc-pwCVQZ"].push_back("vanadium");
|
---|
1225 | BasisList["cc-pwCVQZ"].push_back("chromium");
|
---|
1226 | BasisList["cc-pwCVQZ"].push_back("manganese");
|
---|
1227 | BasisList["cc-pwCVQZ"].push_back("iron");
|
---|
1228 | BasisList["cc-pwCVQZ"].push_back("cobalt");
|
---|
1229 | BasisList["cc-pwCVQZ"].push_back("nickel");
|
---|
1230 | BasisList["cc-pwCVQZ"].push_back("copper");
|
---|
1231 | BasisList["cc-pwCVQZ"].push_back("zinc");
|
---|
1232 | BasisList["cc-pwCVTZ-DK"].push_back("scandium");
|
---|
1233 | BasisList["cc-pwCVTZ-DK"].push_back("titanium");
|
---|
1234 | BasisList["cc-pwCVTZ-DK"].push_back("vanadium");
|
---|
1235 | BasisList["cc-pwCVTZ-DK"].push_back("chromium");
|
---|
1236 | BasisList["cc-pwCVTZ-DK"].push_back("manganese");
|
---|
1237 | BasisList["cc-pwCVTZ-DK"].push_back("iron");
|
---|
1238 | BasisList["cc-pwCVTZ-DK"].push_back("cobalt");
|
---|
1239 | BasisList["cc-pwCVTZ-DK"].push_back("nickel");
|
---|
1240 | BasisList["cc-pwCVTZ-DK"].push_back("copper");
|
---|
1241 | BasisList["cc-pwCVTZ-DK"].push_back("zinc");
|
---|
1242 | BasisList["cc-pwCVTZ"].push_back("scandium");
|
---|
1243 | BasisList["cc-pwCVTZ"].push_back("titanium");
|
---|
1244 | BasisList["cc-pwCVTZ"].push_back("vanadium");
|
---|
1245 | BasisList["cc-pwCVTZ"].push_back("chromium");
|
---|
1246 | BasisList["cc-pwCVTZ"].push_back("manganese");
|
---|
1247 | BasisList["cc-pwCVTZ"].push_back("iron");
|
---|
1248 | BasisList["cc-pwCVTZ"].push_back("cobalt");
|
---|
1249 | BasisList["cc-pwCVTZ"].push_back("nickel");
|
---|
1250 | BasisList["cc-pwCVTZ"].push_back("copper");
|
---|
1251 | BasisList["cc-pwCVTZ"].push_back("zinc");
|
---|
1252 | BasisList["DZ(Dunning)"].push_back("hydrogen");
|
---|
1253 | BasisList["DZ(Dunning)"].push_back("lithium");
|
---|
1254 | BasisList["DZ(Dunning)"].push_back("boron");
|
---|
1255 | BasisList["DZ(Dunning)"].push_back("carbon");
|
---|
1256 | BasisList["DZ(Dunning)"].push_back("nitrogen");
|
---|
1257 | BasisList["DZ(Dunning)"].push_back("oxygen");
|
---|
1258 | BasisList["DZ(Dunning)"].push_back("fluorine");
|
---|
1259 | BasisList["DZ(Dunning)"].push_back("neon");
|
---|
1260 | BasisList["DZ(Dunning)"].push_back("aluminum");
|
---|
1261 | BasisList["DZ(Dunning)"].push_back("silicon");
|
---|
1262 | BasisList["DZ(Dunning)"].push_back("phosphorus");
|
---|
1263 | BasisList["DZ(Dunning)"].push_back("sulfur");
|
---|
1264 | BasisList["DZ(Dunning)"].push_back("chlorine");
|
---|
1265 | BasisList["DZP(Dunning)"].push_back("hydrogen");
|
---|
1266 | BasisList["DZP(Dunning)"].push_back("lithium");
|
---|
1267 | BasisList["DZP(Dunning)"].push_back("boron");
|
---|
1268 | BasisList["DZP(Dunning)"].push_back("carbon");
|
---|
1269 | BasisList["DZP(Dunning)"].push_back("nitrogen");
|
---|
1270 | BasisList["DZP(Dunning)"].push_back("oxygen");
|
---|
1271 | BasisList["DZP(Dunning)"].push_back("fluorine");
|
---|
1272 | BasisList["DZP(Dunning)"].push_back("neon");
|
---|
1273 | BasisList["DZP(Dunning)"].push_back("aluminum");
|
---|
1274 | BasisList["DZP(Dunning)"].push_back("silicon");
|
---|
1275 | BasisList["DZP(Dunning)"].push_back("phosphorus");
|
---|
1276 | BasisList["DZP(Dunning)"].push_back("sulfur");
|
---|
1277 | BasisList["DZP(Dunning)"].push_back("chlorine");
|
---|
1278 | BasisList["DZP+Diffuse(Dunning)"].push_back("hydrogen");
|
---|
1279 | BasisList["DZP+Diffuse(Dunning)"].push_back("boron");
|
---|
1280 | BasisList["DZP+Diffuse(Dunning)"].push_back("carbon");
|
---|
1281 | BasisList["DZP+Diffuse(Dunning)"].push_back("nitrogen");
|
---|
1282 | BasisList["DZP+Diffuse(Dunning)"].push_back("oxygen");
|
---|
1283 | BasisList["DZP+Diffuse(Dunning)"].push_back("fluorine");
|
---|
1284 | BasisList["DZP+Diffuse(Dunning)"].push_back("neon");
|
---|
1285 | BasisList["MIDI(Huzinaga)"].push_back("hydrogen");
|
---|
1286 | BasisList["MIDI(Huzinaga)"].push_back("helium");
|
---|
1287 | BasisList["MIDI(Huzinaga)"].push_back("lithium");
|
---|
1288 | BasisList["MIDI(Huzinaga)"].push_back("beryllium");
|
---|
1289 | BasisList["MIDI(Huzinaga)"].push_back("boron");
|
---|
1290 | BasisList["MIDI(Huzinaga)"].push_back("carbon");
|
---|
1291 | BasisList["MIDI(Huzinaga)"].push_back("nitrogen");
|
---|
1292 | BasisList["MIDI(Huzinaga)"].push_back("oxygen");
|
---|
1293 | BasisList["MIDI(Huzinaga)"].push_back("fluorine");
|
---|
1294 | BasisList["MIDI(Huzinaga)"].push_back("neon");
|
---|
1295 | BasisList["MIDI(Huzinaga)"].push_back("sodium");
|
---|
1296 | BasisList["MIDI(Huzinaga)"].push_back("aluminum");
|
---|
1297 | BasisList["MIDI(Huzinaga)"].push_back("silicon");
|
---|
1298 | BasisList["MIDI(Huzinaga)"].push_back("phosphorus");
|
---|
1299 | BasisList["MIDI(Huzinaga)"].push_back("sulfur");
|
---|
1300 | BasisList["MIDI(Huzinaga)"].push_back("chlorine");
|
---|
1301 | BasisList["MIDI(Huzinaga)"].push_back("argon");
|
---|
1302 | BasisList["MIDI(Huzinaga)"].push_back("potassium");
|
---|
1303 | BasisList["MINI(Huzinaga)"].push_back("hydrogen");
|
---|
1304 | BasisList["MINI(Huzinaga)"].push_back("helium");
|
---|
1305 | BasisList["MINI(Huzinaga)"].push_back("lithium");
|
---|
1306 | BasisList["MINI(Huzinaga)"].push_back("beryllium");
|
---|
1307 | BasisList["MINI(Huzinaga)"].push_back("boron");
|
---|
1308 | BasisList["MINI(Huzinaga)"].push_back("carbon");
|
---|
1309 | BasisList["MINI(Huzinaga)"].push_back("nitrogen");
|
---|
1310 | BasisList["MINI(Huzinaga)"].push_back("oxygen");
|
---|
1311 | BasisList["MINI(Huzinaga)"].push_back("fluorine");
|
---|
1312 | BasisList["MINI(Huzinaga)"].push_back("neon");
|
---|
1313 | BasisList["MINI(Huzinaga)"].push_back("sodium");
|
---|
1314 | BasisList["MINI(Huzinaga)"].push_back("magnesium");
|
---|
1315 | BasisList["MINI(Huzinaga)"].push_back("aluminum");
|
---|
1316 | BasisList["MINI(Huzinaga)"].push_back("silicon");
|
---|
1317 | BasisList["MINI(Huzinaga)"].push_back("phosphorus");
|
---|
1318 | BasisList["MINI(Huzinaga)"].push_back("sulfur");
|
---|
1319 | BasisList["MINI(Huzinaga)"].push_back("chlorine");
|
---|
1320 | BasisList["MINI(Huzinaga)"].push_back("argon");
|
---|
1321 | BasisList["MINI(Huzinaga)"].push_back("potassium");
|
---|
1322 | BasisList["MINI(Huzinaga)"].push_back("calcium");
|
---|
1323 | BasisList["MINI(Scaled)"].push_back("hydrogen");
|
---|
1324 | BasisList["MINI(Scaled)"].push_back("helium");
|
---|
1325 | BasisList["MINI(Scaled)"].push_back("lithium");
|
---|
1326 | BasisList["MINI(Scaled)"].push_back("beryllium");
|
---|
1327 | BasisList["MINI(Scaled)"].push_back("boron");
|
---|
1328 | BasisList["MINI(Scaled)"].push_back("carbon");
|
---|
1329 | BasisList["MINI(Scaled)"].push_back("nitrogen");
|
---|
1330 | BasisList["MINI(Scaled)"].push_back("oxygen");
|
---|
1331 | BasisList["MINI(Scaled)"].push_back("fluorine");
|
---|
1332 | BasisList["MINI(Scaled)"].push_back("neon");
|
---|
1333 | BasisList["MINI(Scaled)"].push_back("sodium");
|
---|
1334 | BasisList["MINI(Scaled)"].push_back("magnesium");
|
---|
1335 | BasisList["MINI(Scaled)"].push_back("aluminum");
|
---|
1336 | BasisList["MINI(Scaled)"].push_back("silicon");
|
---|
1337 | BasisList["MINI(Scaled)"].push_back("phosphorus");
|
---|
1338 | BasisList["MINI(Scaled)"].push_back("sulfur");
|
---|
1339 | BasisList["MINI(Scaled)"].push_back("chlorine");
|
---|
1340 | BasisList["MINI(Scaled)"].push_back("argon");
|
---|
1341 | BasisList["MINI(Scaled)"].push_back("potassium");
|
---|
1342 | BasisList["MINI(Scaled)"].push_back("calcium");
|
---|
1343 | BasisList["NASAAmesANO"].push_back("hydrogen");
|
---|
1344 | BasisList["NASAAmesANO"].push_back("boron");
|
---|
1345 | BasisList["NASAAmesANO"].push_back("carbon");
|
---|
1346 | BasisList["NASAAmesANO"].push_back("nitrogen");
|
---|
1347 | BasisList["NASAAmesANO"].push_back("oxygen");
|
---|
1348 | BasisList["NASAAmesANO"].push_back("fluorine");
|
---|
1349 | BasisList["NASAAmesANO"].push_back("neon");
|
---|
1350 | BasisList["NASAAmesANO"].push_back("aluminum");
|
---|
1351 | BasisList["NASAAmesANO"].push_back("phosphorus");
|
---|
1352 | BasisList["NASAAmesANO"].push_back("titanium");
|
---|
1353 | BasisList["NASAAmesANO"].push_back("iron");
|
---|
1354 | BasisList["NASAAmesANO"].push_back("nickel");
|
---|
1355 | BasisList["pc-0-aug"].push_back("hydrogen");
|
---|
1356 | BasisList["pc-0-aug"].push_back("carbon");
|
---|
1357 | BasisList["pc-0-aug"].push_back("nitrogen");
|
---|
1358 | BasisList["pc-0-aug"].push_back("oxygen");
|
---|
1359 | BasisList["pc-0-aug"].push_back("fluorine");
|
---|
1360 | BasisList["pc-0-aug"].push_back("silicon");
|
---|
1361 | BasisList["pc-0-aug"].push_back("phosphorus");
|
---|
1362 | BasisList["pc-0-aug"].push_back("sulfur");
|
---|
1363 | BasisList["pc-0-aug"].push_back("chlorine");
|
---|
1364 | BasisList["pc-0"].push_back("hydrogen");
|
---|
1365 | BasisList["pc-0"].push_back("carbon");
|
---|
1366 | BasisList["pc-0"].push_back("nitrogen");
|
---|
1367 | BasisList["pc-0"].push_back("oxygen");
|
---|
1368 | BasisList["pc-0"].push_back("fluorine");
|
---|
1369 | BasisList["pc-0"].push_back("silicon");
|
---|
1370 | BasisList["pc-0"].push_back("phosphorus");
|
---|
1371 | BasisList["pc-0"].push_back("sulfur");
|
---|
1372 | BasisList["pc-0"].push_back("chlorine");
|
---|
1373 | BasisList["pc-1-aug"].push_back("hydrogen");
|
---|
1374 | BasisList["pc-1-aug"].push_back("carbon");
|
---|
1375 | BasisList["pc-1-aug"].push_back("nitrogen");
|
---|
1376 | BasisList["pc-1-aug"].push_back("oxygen");
|
---|
1377 | BasisList["pc-1-aug"].push_back("fluorine");
|
---|
1378 | BasisList["pc-1-aug"].push_back("silicon");
|
---|
1379 | BasisList["pc-1-aug"].push_back("phosphorus");
|
---|
1380 | BasisList["pc-1-aug"].push_back("sulfur");
|
---|
1381 | BasisList["pc-1-aug"].push_back("chlorine");
|
---|
1382 | BasisList["pc-1"].push_back("hydrogen");
|
---|
1383 | BasisList["pc-1"].push_back("carbon");
|
---|
1384 | BasisList["pc-1"].push_back("nitrogen");
|
---|
1385 | BasisList["pc-1"].push_back("oxygen");
|
---|
1386 | BasisList["pc-1"].push_back("fluorine");
|
---|
1387 | BasisList["pc-1"].push_back("silicon");
|
---|
1388 | BasisList["pc-1"].push_back("phosphorus");
|
---|
1389 | BasisList["pc-1"].push_back("sulfur");
|
---|
1390 | BasisList["pc-1"].push_back("chlorine");
|
---|
1391 | BasisList["pc-2-aug"].push_back("hydrogen");
|
---|
1392 | BasisList["pc-2-aug"].push_back("carbon");
|
---|
1393 | BasisList["pc-2-aug"].push_back("nitrogen");
|
---|
1394 | BasisList["pc-2-aug"].push_back("oxygen");
|
---|
1395 | BasisList["pc-2-aug"].push_back("fluorine");
|
---|
1396 | BasisList["pc-2-aug"].push_back("silicon");
|
---|
1397 | BasisList["pc-2-aug"].push_back("phosphorus");
|
---|
1398 | BasisList["pc-2-aug"].push_back("sulfur");
|
---|
1399 | BasisList["pc-2-aug"].push_back("chlorine");
|
---|
1400 | BasisList["pc-2"].push_back("hydrogen");
|
---|
1401 | BasisList["pc-2"].push_back("carbon");
|
---|
1402 | BasisList["pc-2"].push_back("nitrogen");
|
---|
1403 | BasisList["pc-2"].push_back("oxygen");
|
---|
1404 | BasisList["pc-2"].push_back("fluorine");
|
---|
1405 | BasisList["pc-2"].push_back("silicon");
|
---|
1406 | BasisList["pc-2"].push_back("phosphorus");
|
---|
1407 | BasisList["pc-2"].push_back("sulfur");
|
---|
1408 | BasisList["pc-2"].push_back("chlorine");
|
---|
1409 | BasisList["pc-3-aug"].push_back("hydrogen");
|
---|
1410 | BasisList["pc-3-aug"].push_back("carbon");
|
---|
1411 | BasisList["pc-3-aug"].push_back("nitrogen");
|
---|
1412 | BasisList["pc-3-aug"].push_back("oxygen");
|
---|
1413 | BasisList["pc-3-aug"].push_back("fluorine");
|
---|
1414 | BasisList["pc-3-aug"].push_back("silicon");
|
---|
1415 | BasisList["pc-3-aug"].push_back("phosphorus");
|
---|
1416 | BasisList["pc-3-aug"].push_back("sulfur");
|
---|
1417 | BasisList["pc-3-aug"].push_back("chlorine");
|
---|
1418 | BasisList["pc-3"].push_back("hydrogen");
|
---|
1419 | BasisList["pc-3"].push_back("carbon");
|
---|
1420 | BasisList["pc-3"].push_back("nitrogen");
|
---|
1421 | BasisList["pc-3"].push_back("oxygen");
|
---|
1422 | BasisList["pc-3"].push_back("fluorine");
|
---|
1423 | BasisList["pc-3"].push_back("silicon");
|
---|
1424 | BasisList["pc-3"].push_back("phosphorus");
|
---|
1425 | BasisList["pc-3"].push_back("sulfur");
|
---|
1426 | BasisList["pc-3"].push_back("chlorine");
|
---|
1427 | BasisList["pc-4-aug"].push_back("hydrogen");
|
---|
1428 | BasisList["pc-4-aug"].push_back("carbon");
|
---|
1429 | BasisList["pc-4-aug"].push_back("nitrogen");
|
---|
1430 | BasisList["pc-4-aug"].push_back("oxygen");
|
---|
1431 | BasisList["pc-4-aug"].push_back("fluorine");
|
---|
1432 | BasisList["pc-4-aug"].push_back("silicon");
|
---|
1433 | BasisList["pc-4-aug"].push_back("phosphorus");
|
---|
1434 | BasisList["pc-4-aug"].push_back("sulfur");
|
---|
1435 | BasisList["pc-4-aug"].push_back("chlorine");
|
---|
1436 | BasisList["pc-4"].push_back("hydrogen");
|
---|
1437 | BasisList["pc-4"].push_back("carbon");
|
---|
1438 | BasisList["pc-4"].push_back("nitrogen");
|
---|
1439 | BasisList["pc-4"].push_back("oxygen");
|
---|
1440 | BasisList["pc-4"].push_back("fluorine");
|
---|
1441 | BasisList["pc-4"].push_back("silicon");
|
---|
1442 | BasisList["pc-4"].push_back("phosphorus");
|
---|
1443 | BasisList["pc-4"].push_back("sulfur");
|
---|
1444 | BasisList["pc-4"].push_back("chlorine");
|
---|
1445 | BasisList["STO-2G"].push_back("hydrogen");
|
---|
1446 | BasisList["STO-2G"].push_back("helium");
|
---|
1447 | BasisList["STO-2G"].push_back("lithium");
|
---|
1448 | BasisList["STO-2G"].push_back("beryllium");
|
---|
1449 | BasisList["STO-2G"].push_back("boron");
|
---|
1450 | BasisList["STO-2G"].push_back("carbon");
|
---|
1451 | BasisList["STO-2G"].push_back("nitrogen");
|
---|
1452 | BasisList["STO-2G"].push_back("oxygen");
|
---|
1453 | BasisList["STO-2G"].push_back("fluorine");
|
---|
1454 | BasisList["STO-2G"].push_back("neon");
|
---|
1455 | BasisList["STO-2G"].push_back("sodium");
|
---|
1456 | BasisList["STO-2G"].push_back("magnesium");
|
---|
1457 | BasisList["STO-2G"].push_back("aluminum");
|
---|
1458 | BasisList["STO-2G"].push_back("silicon");
|
---|
1459 | BasisList["STO-2G"].push_back("phosphorus");
|
---|
1460 | BasisList["STO-2G"].push_back("sulfur");
|
---|
1461 | BasisList["STO-2G"].push_back("chlorine");
|
---|
1462 | BasisList["STO-2G"].push_back("argon");
|
---|
1463 | BasisList["STO-2G"].push_back("potassium");
|
---|
1464 | BasisList["STO-2G"].push_back("calcium");
|
---|
1465 | BasisList["STO-3G"].push_back("hydrogen");
|
---|
1466 | BasisList["STO-3G"].push_back("helium");
|
---|
1467 | BasisList["STO-3G"].push_back("lithium");
|
---|
1468 | BasisList["STO-3G"].push_back("beryllium");
|
---|
1469 | BasisList["STO-3G"].push_back("boron");
|
---|
1470 | BasisList["STO-3G"].push_back("carbon");
|
---|
1471 | BasisList["STO-3G"].push_back("nitrogen");
|
---|
1472 | BasisList["STO-3G"].push_back("oxygen");
|
---|
1473 | BasisList["STO-3G"].push_back("fluorine");
|
---|
1474 | BasisList["STO-3G"].push_back("neon");
|
---|
1475 | BasisList["STO-3G"].push_back("sodium");
|
---|
1476 | BasisList["STO-3G"].push_back("magnesium");
|
---|
1477 | BasisList["STO-3G"].push_back("aluminum");
|
---|
1478 | BasisList["STO-3G"].push_back("silicon");
|
---|
1479 | BasisList["STO-3G"].push_back("phosphorus");
|
---|
1480 | BasisList["STO-3G"].push_back("sulfur");
|
---|
1481 | BasisList["STO-3G"].push_back("chlorine");
|
---|
1482 | BasisList["STO-3G"].push_back("argon");
|
---|
1483 | BasisList["STO-3G"].push_back("potassium");
|
---|
1484 | BasisList["STO-3G"].push_back("calcium");
|
---|
1485 | BasisList["STO-3G"].push_back("scandium");
|
---|
1486 | BasisList["STO-3G"].push_back("titanium");
|
---|
1487 | BasisList["STO-3G"].push_back("vanadium");
|
---|
1488 | BasisList["STO-3G"].push_back("chromium");
|
---|
1489 | BasisList["STO-3G"].push_back("manganese");
|
---|
1490 | BasisList["STO-3G"].push_back("iron");
|
---|
1491 | BasisList["STO-3G"].push_back("cobalt");
|
---|
1492 | BasisList["STO-3G"].push_back("nickel");
|
---|
1493 | BasisList["STO-3G"].push_back("copper");
|
---|
1494 | BasisList["STO-3G"].push_back("zinc");
|
---|
1495 | BasisList["STO-3G"].push_back("gallium");
|
---|
1496 | BasisList["STO-3G"].push_back("germanium");
|
---|
1497 | BasisList["STO-3G"].push_back("arsenic");
|
---|
1498 | BasisList["STO-3G"].push_back("selenium");
|
---|
1499 | BasisList["STO-3G"].push_back("bromine");
|
---|
1500 | BasisList["STO-3G"].push_back("krypton");
|
---|
1501 | BasisList["STO-3G*"].push_back("hydrogen");
|
---|
1502 | BasisList["STO-3G*"].push_back("helium");
|
---|
1503 | BasisList["STO-3G*"].push_back("lithium");
|
---|
1504 | BasisList["STO-3G*"].push_back("beryllium");
|
---|
1505 | BasisList["STO-3G*"].push_back("boron");
|
---|
1506 | BasisList["STO-3G*"].push_back("carbon");
|
---|
1507 | BasisList["STO-3G*"].push_back("nitrogen");
|
---|
1508 | BasisList["STO-3G*"].push_back("oxygen");
|
---|
1509 | BasisList["STO-3G*"].push_back("fluorine");
|
---|
1510 | BasisList["STO-3G*"].push_back("neon");
|
---|
1511 | BasisList["STO-3G*"].push_back("sodium");
|
---|
1512 | BasisList["STO-3G*"].push_back("magnesium");
|
---|
1513 | BasisList["STO-3G*"].push_back("aluminum");
|
---|
1514 | BasisList["STO-3G*"].push_back("silicon");
|
---|
1515 | BasisList["STO-3G*"].push_back("phosphorus");
|
---|
1516 | BasisList["STO-3G*"].push_back("sulfur");
|
---|
1517 | BasisList["STO-3G*"].push_back("chlorine");
|
---|
1518 | BasisList["STO-3G*"].push_back("argon");
|
---|
1519 | BasisList["STO-6G"].push_back("hydrogen");
|
---|
1520 | BasisList["STO-6G"].push_back("helium");
|
---|
1521 | BasisList["STO-6G"].push_back("lithium");
|
---|
1522 | BasisList["STO-6G"].push_back("beryllium");
|
---|
1523 | BasisList["STO-6G"].push_back("boron");
|
---|
1524 | BasisList["STO-6G"].push_back("carbon");
|
---|
1525 | BasisList["STO-6G"].push_back("nitrogen");
|
---|
1526 | BasisList["STO-6G"].push_back("oxygen");
|
---|
1527 | BasisList["STO-6G"].push_back("fluorine");
|
---|
1528 | BasisList["STO-6G"].push_back("neon");
|
---|
1529 | BasisList["STO-6G"].push_back("sodium");
|
---|
1530 | BasisList["STO-6G"].push_back("magnesium");
|
---|
1531 | BasisList["STO-6G"].push_back("aluminum");
|
---|
1532 | BasisList["STO-6G"].push_back("silicon");
|
---|
1533 | BasisList["STO-6G"].push_back("phosphorus");
|
---|
1534 | BasisList["STO-6G"].push_back("sulfur");
|
---|
1535 | BasisList["STO-6G"].push_back("chlorine");
|
---|
1536 | BasisList["STO-6G"].push_back("argon");
|
---|
1537 | BasisList["STO-6G"].push_back("potassium");
|
---|
1538 | BasisList["STO-6G"].push_back("calcium");
|
---|
1539 | BasisList["STO-6G"].push_back("scandium");
|
---|
1540 | BasisList["STO-6G"].push_back("titanium");
|
---|
1541 | BasisList["STO-6G"].push_back("vanadium");
|
---|
1542 | BasisList["STO-6G"].push_back("chromium");
|
---|
1543 | BasisList["STO-6G"].push_back("manganese");
|
---|
1544 | BasisList["STO-6G"].push_back("iron");
|
---|
1545 | BasisList["STO-6G"].push_back("cobalt");
|
---|
1546 | BasisList["STO-6G"].push_back("nickel");
|
---|
1547 | BasisList["STO-6G"].push_back("copper");
|
---|
1548 | BasisList["STO-6G"].push_back("zinc");
|
---|
1549 | BasisList["STO-6G"].push_back("gallium");
|
---|
1550 | BasisList["STO-6G"].push_back("germanium");
|
---|
1551 | BasisList["STO-6G"].push_back("arsenic");
|
---|
1552 | BasisList["STO-6G"].push_back("selenium");
|
---|
1553 | BasisList["STO-6G"].push_back("bromine");
|
---|
1554 | BasisList["STO-6G"].push_back("krypton");
|
---|
1555 | BasisList["TZ(Dunning)"].push_back("hydrogen");
|
---|
1556 | BasisList["TZ(Dunning)"].push_back("lithium");
|
---|
1557 | BasisList["TZ(Dunning)"].push_back("beryllium");
|
---|
1558 | BasisList["TZ(Dunning)"].push_back("boron");
|
---|
1559 | BasisList["TZ(Dunning)"].push_back("carbon");
|
---|
1560 | BasisList["TZ(Dunning)"].push_back("nitrogen");
|
---|
1561 | BasisList["TZ(Dunning)"].push_back("oxygen");
|
---|
1562 | BasisList["TZ(Dunning)"].push_back("fluorine");
|
---|
1563 | BasisList["TZ(Dunning)"].push_back("neon");
|
---|
1564 | }
|
---|