source: src/Parser/MpqcParser_Parameters_initBasis.cpp@ 50e4e5

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since 50e4e5 was 44fce5, checked in by Frederik Heber <heber@…>, 14 years ago

Extended MpqcParser_Parameters, can set and get all values.

  • Property mode set to 100644
File size: 73.2 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * MpqcParser_Parameters_initBasis.cpp
10 *
11 * Created on: Feb 4, 2011
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include <string>
21
22#include "CodePatterns/MemDebug.hpp"
23
24#include "MpqcParser_Parameters.hpp"
25
26
27void MpqcParser_Parameters::initBasis()
28{
29 // list is obtained via the following shell script
30 //for basis in ~/install/share/mpqc/3.0.0-alpha/basis/*.kv; do
31 // grep ": \"" $basis | awk -F":" '{print "\tBasisList["$2"].push_back(\""$1"\");"}' | tr -d \ ;
32 //done
33
34 BasisList["3-21G"].push_back("hydrogen");
35 BasisList["3-21G"].push_back("helium");
36 BasisList["3-21G"].push_back("lithium");
37 BasisList["3-21G"].push_back("beryllium");
38 BasisList["3-21G"].push_back("boron");
39 BasisList["3-21G"].push_back("carbon");
40 BasisList["3-21G"].push_back("nitrogen");
41 BasisList["3-21G"].push_back("oxygen");
42 BasisList["3-21G"].push_back("fluorine");
43 BasisList["3-21G"].push_back("neon");
44 BasisList["3-21G"].push_back("sodium");
45 BasisList["3-21G"].push_back("magnesium");
46 BasisList["3-21G"].push_back("aluminum");
47 BasisList["3-21G"].push_back("silicon");
48 BasisList["3-21G"].push_back("phosphorus");
49 BasisList["3-21G"].push_back("sulfur");
50 BasisList["3-21G"].push_back("chlorine");
51 BasisList["3-21G"].push_back("argon");
52 BasisList["3-21G"].push_back("potassium");
53 BasisList["3-21G"].push_back("calcium");
54 BasisList["3-21G"].push_back("scandium");
55 BasisList["3-21G"].push_back("titanium");
56 BasisList["3-21G"].push_back("vanadium");
57 BasisList["3-21G"].push_back("chromium");
58 BasisList["3-21G"].push_back("manganese");
59 BasisList["3-21G"].push_back("iron");
60 BasisList["3-21G"].push_back("cobalt");
61 BasisList["3-21G"].push_back("nickel");
62 BasisList["3-21G"].push_back("copper");
63 BasisList["3-21G"].push_back("zinc");
64 BasisList["3-21G"].push_back("gallium");
65 BasisList["3-21G"].push_back("germanium");
66 BasisList["3-21G"].push_back("arsenic");
67 BasisList["3-21G"].push_back("selenium");
68 BasisList["3-21G"].push_back("bromine");
69 BasisList["3-21G"].push_back("krypton");
70 BasisList["3-21G*"].push_back("hydrogen");
71 BasisList["3-21G*"].push_back("helium");
72 BasisList["3-21G*"].push_back("lithium");
73 BasisList["3-21G*"].push_back("beryllium");
74 BasisList["3-21G*"].push_back("boron");
75 BasisList["3-21G*"].push_back("carbon");
76 BasisList["3-21G*"].push_back("nitrogen");
77 BasisList["3-21G*"].push_back("oxygen");
78 BasisList["3-21G*"].push_back("fluorine");
79 BasisList["3-21G*"].push_back("neon");
80 BasisList["3-21G*"].push_back("sodium");
81 BasisList["3-21G*"].push_back("magnesium");
82 BasisList["3-21G*"].push_back("aluminum");
83 BasisList["3-21G*"].push_back("silicon");
84 BasisList["3-21G*"].push_back("phosphorus");
85 BasisList["3-21G*"].push_back("sulfur");
86 BasisList["3-21G*"].push_back("chlorine");
87 BasisList["3-21G*"].push_back("argon");
88 BasisList["3-21++G"].push_back("hydrogen");
89 BasisList["3-21++G"].push_back("helium");
90 BasisList["3-21++G"].push_back("lithium");
91 BasisList["3-21++G"].push_back("beryllium");
92 BasisList["3-21++G"].push_back("boron");
93 BasisList["3-21++G"].push_back("carbon");
94 BasisList["3-21++G"].push_back("nitrogen");
95 BasisList["3-21++G"].push_back("oxygen");
96 BasisList["3-21++G"].push_back("fluorine");
97 BasisList["3-21++G"].push_back("neon");
98 BasisList["3-21++G"].push_back("sodium");
99 BasisList["3-21++G"].push_back("magnesium");
100 BasisList["3-21++G"].push_back("aluminum");
101 BasisList["3-21++G"].push_back("silicon");
102 BasisList["3-21++G"].push_back("phosphorus");
103 BasisList["3-21++G"].push_back("sulfur");
104 BasisList["3-21++G"].push_back("chlorine");
105 BasisList["3-21++G"].push_back("argon");
106 BasisList["3-21++G*"].push_back("hydrogen");
107 BasisList["3-21++G*"].push_back("helium");
108 BasisList["3-21++G*"].push_back("lithium");
109 BasisList["3-21++G*"].push_back("beryllium");
110 BasisList["3-21++G*"].push_back("boron");
111 BasisList["3-21++G*"].push_back("carbon");
112 BasisList["3-21++G*"].push_back("nitrogen");
113 BasisList["3-21++G*"].push_back("oxygen");
114 BasisList["3-21++G*"].push_back("fluorine");
115 BasisList["3-21++G*"].push_back("neon");
116 BasisList["3-21++G*"].push_back("sodium");
117 BasisList["3-21++G*"].push_back("magnesium");
118 BasisList["3-21++G*"].push_back("aluminum");
119 BasisList["3-21++G*"].push_back("silicon");
120 BasisList["3-21++G*"].push_back("phosphorus");
121 BasisList["3-21++G*"].push_back("sulfur");
122 BasisList["3-21++G*"].push_back("chlorine");
123 BasisList["3-21++G*"].push_back("argon");
124 BasisList["4-31G"].push_back("hydrogen");
125 BasisList["4-31G"].push_back("helium");
126 BasisList["4-31G"].push_back("lithium");
127 BasisList["4-31G"].push_back("beryllium");
128 BasisList["4-31G"].push_back("boron");
129 BasisList["4-31G"].push_back("carbon");
130 BasisList["4-31G"].push_back("nitrogen");
131 BasisList["4-31G"].push_back("oxygen");
132 BasisList["4-31G"].push_back("fluorine");
133 BasisList["4-31G"].push_back("neon");
134 BasisList["4-31G"].push_back("phosphorus");
135 BasisList["4-31G"].push_back("sulfur");
136 BasisList["4-31G"].push_back("chlorine");
137 BasisList["6-311G"].push_back("hydrogen");
138 BasisList["6-311G"].push_back("helium");
139 BasisList["6-311G"].push_back("lithium");
140 BasisList["6-311G"].push_back("beryllium");
141 BasisList["6-311G"].push_back("boron");
142 BasisList["6-311G"].push_back("carbon");
143 BasisList["6-311G"].push_back("nitrogen");
144 BasisList["6-311G"].push_back("oxygen");
145 BasisList["6-311G"].push_back("fluorine");
146 BasisList["6-311G"].push_back("neon");
147 BasisList["6-311G"].push_back("sodium");
148 BasisList["6-311G"].push_back("magnesium");
149 BasisList["6-311G"].push_back("aluminum");
150 BasisList["6-311G"].push_back("silicon");
151 BasisList["6-311G"].push_back("phosphorus");
152 BasisList["6-311G"].push_back("sulfur");
153 BasisList["6-311G"].push_back("chlorine");
154 BasisList["6-311G"].push_back("argon");
155 BasisList["6-311G"].push_back("potassium");
156 BasisList["6-311G"].push_back("calcium");
157 BasisList["6-311G"].push_back("gallium");
158 BasisList["6-311G"].push_back("germanium");
159 BasisList["6-311G"].push_back("arsenic");
160 BasisList["6-311G"].push_back("selenium");
161 BasisList["6-311G"].push_back("bromine");
162 BasisList["6-311G"].push_back("krypton");
163 BasisList["6-311G(2df,2pd)"].push_back("hydrogen");
164 BasisList["6-311G(2df,2pd)"].push_back("helium");
165 BasisList["6-311G(2df,2pd)"].push_back("lithium");
166 BasisList["6-311G(2df,2pd)"].push_back("beryllium");
167 BasisList["6-311G(2df,2pd)"].push_back("boron");
168 BasisList["6-311G(2df,2pd)"].push_back("carbon");
169 BasisList["6-311G(2df,2pd)"].push_back("nitrogen");
170 BasisList["6-311G(2df,2pd)"].push_back("oxygen");
171 BasisList["6-311G(2df,2pd)"].push_back("fluorine");
172 BasisList["6-311G(2df,2pd)"].push_back("neon");
173 BasisList["6-311G(2df,2pd)"].push_back("potassium");
174 BasisList["6-311G(2df,2pd)"].push_back("calcium");
175 BasisList["6-311G*"].push_back("hydrogen");
176 BasisList["6-311G*"].push_back("helium");
177 BasisList["6-311G*"].push_back("lithium");
178 BasisList["6-311G*"].push_back("beryllium");
179 BasisList["6-311G*"].push_back("boron");
180 BasisList["6-311G*"].push_back("carbon");
181 BasisList["6-311G*"].push_back("nitrogen");
182 BasisList["6-311G*"].push_back("oxygen");
183 BasisList["6-311G*"].push_back("fluorine");
184 BasisList["6-311G*"].push_back("neon");
185 BasisList["6-311G*"].push_back("sodium");
186 BasisList["6-311G*"].push_back("magnesium");
187 BasisList["6-311G*"].push_back("aluminum");
188 BasisList["6-311G*"].push_back("silicon");
189 BasisList["6-311G*"].push_back("phosphorus");
190 BasisList["6-311G*"].push_back("sulfur");
191 BasisList["6-311G*"].push_back("chlorine");
192 BasisList["6-311G*"].push_back("argon");
193 BasisList["6-311G*"].push_back("potassium");
194 BasisList["6-311G*"].push_back("calcium");
195 BasisList["6-311G*"].push_back("gallium");
196 BasisList["6-311G*"].push_back("germanium");
197 BasisList["6-311G*"].push_back("arsenic");
198 BasisList["6-311G*"].push_back("selenium");
199 BasisList["6-311G*"].push_back("bromine");
200 BasisList["6-311G*"].push_back("krypton");
201 BasisList["6-311G**"].push_back("hydrogen");
202 BasisList["6-311G**"].push_back("helium");
203 BasisList["6-311G**"].push_back("lithium");
204 BasisList["6-311G**"].push_back("beryllium");
205 BasisList["6-311G**"].push_back("boron");
206 BasisList["6-311G**"].push_back("carbon");
207 BasisList["6-311G**"].push_back("nitrogen");
208 BasisList["6-311G**"].push_back("oxygen");
209 BasisList["6-311G**"].push_back("fluorine");
210 BasisList["6-311G**"].push_back("neon");
211 BasisList["6-311G**"].push_back("sodium");
212 BasisList["6-311G**"].push_back("magnesium");
213 BasisList["6-311G**"].push_back("aluminum");
214 BasisList["6-311G**"].push_back("silicon");
215 BasisList["6-311G**"].push_back("phosphorus");
216 BasisList["6-311G**"].push_back("sulfur");
217 BasisList["6-311G**"].push_back("chlorine");
218 BasisList["6-311G**"].push_back("argon");
219 BasisList["6-311G**"].push_back("potassium");
220 BasisList["6-311G**"].push_back("calcium");
221 BasisList["6-311G**"].push_back("gallium");
222 BasisList["6-311G**"].push_back("germanium");
223 BasisList["6-311G**"].push_back("arsenic");
224 BasisList["6-311G**"].push_back("selenium");
225 BasisList["6-311G**"].push_back("bromine");
226 BasisList["6-311G**"].push_back("krypton");
227 BasisList["6-311++G(2d,2p)"].push_back("hydrogen");
228 BasisList["6-311++G(2d,2p)"].push_back("helium");
229 BasisList["6-311++G(2d,2p)"].push_back("lithium");
230 BasisList["6-311++G(2d,2p)"].push_back("beryllium");
231 BasisList["6-311++G(2d,2p)"].push_back("boron");
232 BasisList["6-311++G(2d,2p)"].push_back("carbon");
233 BasisList["6-311++G(2d,2p)"].push_back("nitrogen");
234 BasisList["6-311++G(2d,2p)"].push_back("oxygen");
235 BasisList["6-311++G(2d,2p)"].push_back("fluorine");
236 BasisList["6-311++G(2d,2p)"].push_back("neon");
237 BasisList["6-311++G(2d,2p)"].push_back("sodium");
238 BasisList["6-311++G(2d,2p)"].push_back("magnesium");
239 BasisList["6-311++G(2d,2p)"].push_back("aluminum");
240 BasisList["6-311++G(2d,2p)"].push_back("silicon");
241 BasisList["6-311++G(2d,2p)"].push_back("phosphorus");
242 BasisList["6-311++G(2d,2p)"].push_back("sulfur");
243 BasisList["6-311++G(2d,2p)"].push_back("chlorine");
244 BasisList["6-311++G(2d,2p)"].push_back("argon");
245 BasisList["6-311++G(2d,2p)"].push_back("potassium");
246 BasisList["6-311++G(2d,2p)"].push_back("calcium");
247 BasisList["6-311++G(3df,3pd)"].push_back("hydrogen");
248 BasisList["6-311++G(3df,3pd)"].push_back("helium");
249 BasisList["6-311++G(3df,3pd)"].push_back("lithium");
250 BasisList["6-311++G(3df,3pd)"].push_back("beryllium");
251 BasisList["6-311++G(3df,3pd)"].push_back("boron");
252 BasisList["6-311++G(3df,3pd)"].push_back("carbon");
253 BasisList["6-311++G(3df,3pd)"].push_back("nitrogen");
254 BasisList["6-311++G(3df,3pd)"].push_back("oxygen");
255 BasisList["6-311++G(3df,3pd)"].push_back("fluorine");
256 BasisList["6-311++G(3df,3pd)"].push_back("neon");
257 BasisList["6-311++G(3df,3pd)"].push_back("sodium");
258 BasisList["6-311++G(3df,3pd)"].push_back("magnesium");
259 BasisList["6-311++G(3df,3pd)"].push_back("aluminum");
260 BasisList["6-311++G(3df,3pd)"].push_back("silicon");
261 BasisList["6-311++G(3df,3pd)"].push_back("phosphorus");
262 BasisList["6-311++G(3df,3pd)"].push_back("sulfur");
263 BasisList["6-311++G(3df,3pd)"].push_back("chlorine");
264 BasisList["6-311++G(3df,3pd)"].push_back("argon");
265 BasisList["6-311++G**"].push_back("hydrogen");
266 BasisList["6-311++G**"].push_back("helium");
267 BasisList["6-311++G**"].push_back("lithium");
268 BasisList["6-311++G**"].push_back("beryllium");
269 BasisList["6-311++G**"].push_back("boron");
270 BasisList["6-311++G**"].push_back("carbon");
271 BasisList["6-311++G**"].push_back("nitrogen");
272 BasisList["6-311++G**"].push_back("oxygen");
273 BasisList["6-311++G**"].push_back("fluorine");
274 BasisList["6-311++G**"].push_back("neon");
275 BasisList["6-31G"].push_back("hydrogen");
276 BasisList["6-31G"].push_back("helium");
277 BasisList["6-31G"].push_back("lithium");
278 BasisList["6-31G"].push_back("beryllium");
279 BasisList["6-31G"].push_back("boron");
280 BasisList["6-31G"].push_back("carbon");
281 BasisList["6-31G"].push_back("nitrogen");
282 BasisList["6-31G"].push_back("oxygen");
283 BasisList["6-31G"].push_back("fluorine");
284 BasisList["6-31G"].push_back("neon");
285 BasisList["6-31G"].push_back("sodium");
286 BasisList["6-31G"].push_back("magnesium");
287 BasisList["6-31G"].push_back("aluminum");
288 BasisList["6-31G"].push_back("silicon");
289 BasisList["6-31G"].push_back("phosphorus");
290 BasisList["6-31G"].push_back("sulfur");
291 BasisList["6-31G"].push_back("chlorine");
292 BasisList["6-31G"].push_back("argon");
293 BasisList["6-31G"].push_back("potassium");
294 BasisList["6-31G"].push_back("calcium");
295 BasisList["6-31G"].push_back("scandium");
296 BasisList["6-31G"].push_back("titanium");
297 BasisList["6-31G"].push_back("vanadium");
298 BasisList["6-31G"].push_back("chromium");
299 BasisList["6-31G"].push_back("manganese");
300 BasisList["6-31G"].push_back("iron");
301 BasisList["6-31G"].push_back("cobalt");
302 BasisList["6-31G"].push_back("nickel");
303 BasisList["6-31G"].push_back("copper");
304 BasisList["6-31G"].push_back("zinc");
305 BasisList["6-31G*"].push_back("hydrogen");
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}
Note: See TracBrowser for help on using the repository browser.