source: src/Parser/MpqcParser_Parameters.cpp@ 61d69a4

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Last change on this file since 61d69a4 was 61d69a4, checked in by Frederik Heber <heber@…>, 15 years ago

Added MpqcParser_Parameter class to MpqcParser.

  • contains all extra info for the mpqc style config file.
  • so far not prepared for setting details via action.
  • Property mode set to 100644
File size: 81.3 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.cpp
10 *
11 * Created on: Feb 3, 2011
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include <iostream>
21#include <boost/tokenizer.hpp>
22#include <string>
23
24#include "CodePatterns/MemDebug.hpp"
25
26#include "CodePatterns/Log.hpp"
27#include "CodePatterns/Verbose.hpp"
28
29#include "MpqcParser.hpp"
30
31#include "MpqcParser_Parameters.hpp"
32
33
34using boost::any_cast;
35
36MpqcParser_Parameters::MpqcParser_Parameters()
37{
38 // add all known basis
39 initBasis();
40
41 // add all theory names
42 TheoryNames[CLHF]="CLHF";
43 TheoryNames[CLKS]="CLKS";
44 TheoryNames[MBPT2]="MBPT2";
45 TheoryNames[MBPT2_R12]="MBPT2_R12";
46
47 // add all integration names
48 IntegrationNames[IntegralCints] = "IntegralCints";
49
50 // have names for all parmaters
51 ParamNames[HessianParam] = "Hessian";
52 ParamNames[savestateParam] = "savestate";
53 ParamNames[do_gradientParam] = "do_gradient";
54 ParamNames[maxiterParam] = "maxiter";
55 ParamNames[memoryParam] = "memory";
56 ParamNames[stdapproxParam] = "stdapprox";
57 ParamNames[nfzcParam] = "nfzc";
58 ParamNames[basisParam] = "basis";
59 ParamNames[aux_basisParam] = "aux_basis";
60 ParamNames[integrationParam] = "integration";
61 ParamNames[theoryParam] = "theory";
62
63 initParameters();
64}
65
66void MpqcParser_Parameters::initParameters()
67{
68 appendParameter(HessianParam, bool(false));
69 appendParameter(savestateParam, bool(false));
70 appendParameter(do_gradientParam, bool(true));
71 appendParameter(maxiterParam, int(1000));
72 appendParameter(memoryParam, int(16000000));
73 appendParameter(stdapproxParam, std::string("A'"));
74 appendParameter(nfzcParam, int(1));
75 appendParameter(basisParam, std::string("3-21G"));
76 appendParameter(aux_basisParam, std::string("aug-cc-pVDZ"));
77 appendParameter(integrationParam, IntegralCints);
78 appendParameter(theoryParam, MBPT2);
79}
80
81MpqcParser_Parameters::~MpqcParser_Parameters()
82{}
83
84std::ostream & operator << (std::ostream& ost, MpqcParser_Parameters &mpqc_params)
85{
86 std::ostringstream output;
87 output << "Hessian=" << mpqc_params.getString(MpqcParser_Parameters::HessianParam) << ";";
88 output << "savestate=" << mpqc_params.getString(MpqcParser_Parameters::savestateParam) << ";";
89 output << "do_gradient=" << mpqc_params.getString(MpqcParser_Parameters::do_gradientParam) << ";";
90 output << "maxiter=" << mpqc_params.getString(MpqcParser_Parameters::maxiterParam) << ";";
91 output << "memory=" << mpqc_params.getString(MpqcParser_Parameters::memoryParam) << ";";
92 output << "stdapprox=" << mpqc_params.getString(MpqcParser_Parameters::stdapproxParam) << ";";
93 output << "nfzc=" << mpqc_params.getString(MpqcParser_Parameters::nfzcParam) << ";";
94 output << "basis=" << mpqc_params.getString(MpqcParser_Parameters::basisParam) << ";";
95 output << "aux_basis=" << mpqc_params.getString(MpqcParser_Parameters::aux_basisParam) << ";";
96 output << "integration=" << mpqc_params.getString(MpqcParser_Parameters::integrationParam) << ";";
97 output << "theory=" << mpqc_params.getString(MpqcParser_Parameters::theoryParam) << ";";
98 ost << output.str();
99 return ost;
100}
101
102// TODO: These should throw exceptions such that invalid user entry can be detected.
103std::istream & operator >> (std::istream& ist, MpqcParser_Parameters &params)
104{
105 typedef boost::tokenizer<boost::char_separator<char> >
106 tokenizer;
107 boost::char_separator<char> semicolonsep(";");
108 boost::char_separator<char> equalitysep("=");
109 std::string line;
110 double tmp;
111 std::getline( ist, line );
112 //DoLog(0) && (Log() << Verbose(0) << "INFO: full line of parameters is '" << line << "'" << std::endl);
113 tokenizer tokens(line, semicolonsep);
114 ASSERT(tokens.begin() != tokens.end(),
115 "operator<< on MpqcParser_Parameters - empty string, need at least ';'!");
116 for (tokenizer::iterator tok_iter = tokens.begin();
117 tok_iter != tokens.end(); ++tok_iter) {
118 tokenizer paramtokens(*tok_iter, equalitysep);
119 if (paramtokens.begin() != paramtokens.end()) {
120 tokenizer::iterator tok_paramiter = paramtokens.begin();
121 tokenizer::iterator tok_valueiter = tok_paramiter;
122 tokenizer::iterator tok_checkiter = ++tok_valueiter;
123 ASSERT(tok_valueiter == params.end(),
124 "operator<< on MpqcParser_Parameters - missing value before ';'!");
125 ++tok_checkiter;
126 ASSERT(tok_checkiter == params.end(),
127 "operator<< on MpqcParser_Parameters - still tokens before ';'!");
128 DoLog(0) && (Log() << Verbose(0) << "INFO: Token pair is " << *tok_paramiter << "," << *tok_valueiter << std::endl);
129 std::stringstream value(*tok_valueiter);
130
131 value >> tmp;
132// if ((MpqcParser_Parameters::params.count(*tok_paramiter) != 0)
133// && (tmp != MpqcParser_Parameters::noset_value)) {
134// switch (MpqcParser_Parameters::params[*tok_paramiter]) {
135// case (MpqcParser_Parameters::param_seed):
136// params.seed = tmp;
137// break;
138// default:
139// std::cerr << "This is weird, we cannot get here!" << std::endl;
140// }
141// DoLog(1) && (Log() << Verbose(1) << "ACCEPT: Value for token " << *tok_paramiter << " set." << std::endl);
142// } else {
143// DoLog(1) && (Log() << Verbose(1) << "REJECT: Value for token " << *tok_paramiter << " not specified." << std::endl);
144// }
145 } else {
146 ist.setstate(std::ios::eofbit);
147 }
148 }
149 return ist;
150}
151
152
153/** Sets whether hessian is desired or not
154 * \param hessian statement
155 */
156void MpqcParser_Parameters::setHessian(bool _hessian)
157{
158 try {
159 params[HessianParam] = _hessian;
160 } catch(const boost::bad_any_cast &) {
161 DoeLog(0) && (eLog() << Verbose(0)
162 << "MpqcParser_Parameters::setHessian() - could not set boolean!" << std::endl);
163 }
164}
165
166/** Sets the desired level of solving theory to use
167 * \param _theory shorthand of the theory
168 */
169void MpqcParser_Parameters::setTheory(enum Theory _theory)
170{
171 try {
172 params[theoryParam] = _theory;
173 } catch(const boost::bad_any_cast &) {
174 DoeLog(0) && (eLog() << Verbose(0)
175 << "MpqcParser_Parameters::setHessian() - could not set boolean!" << std::endl);
176 }
177}
178
179enum MpqcParser_Parameters::IntegrationMethod MpqcParser_Parameters::getIntegration()
180{
181 enum IntegrationMethod value;
182 try {
183 value = boost::any_cast<enum IntegrationMethod>(params[integrationParam]);
184 } catch(const boost::bad_any_cast &) {
185 DoeLog(0) && (eLog() << Verbose(0)
186 << "MpqcParser_Parameters::getIntegration() - could not convert "
187 +ParamNames[integrationParam]+" to enum IntegrationMethod!" << std::endl);
188 }
189 return value;
190}
191
192enum MpqcParser_Parameters::Theory MpqcParser_Parameters::getTheory()
193{
194 enum Theory value;
195 try {
196 value = boost::any_cast<enum Theory>(params[theoryParam]);
197 } catch(const boost::bad_any_cast &) {
198 DoeLog(0) && (eLog() << Verbose(0)
199 << "MpqcParser_Parameters::getTheory() - could not convert "
200 +ParamNames[theoryParam]+" to enum Theory!" << std::endl);
201 }
202 return value;
203}
204
205std::string MpqcParser_Parameters::getString(enum Parameters _param)
206{
207 std::string value;
208 enum IntegrationMethod Iindex;
209 enum Theory Tindex;
210 bool test;
211 switch (_param) {
212 case HessianParam:
213 case savestateParam:
214 case do_gradientParam:
215 test = boost::any_cast<bool>(params[_param]);
216 if (test)
217 value = "yes";
218 else
219 value = "no";
220 break;
221 case integrationParam:
222 try {
223 Iindex = boost::any_cast<enum IntegrationMethod>(params[_param]);
224 } catch(const boost::bad_any_cast &) {
225 DoeLog(0) && (eLog() << Verbose(0)
226 << "MpqcParser_Parameters::getString() - could not convert "
227 +ParamNames[_param]+" to string!" << std::endl);
228 }
229 value = IntegrationNames[Iindex];
230 break;
231 case theoryParam:
232 try {
233 Tindex = boost::any_cast<enum Theory>(params[_param]);
234 } catch(const boost::bad_any_cast &) {
235 DoeLog(0) && (eLog() << Verbose(0)
236 << "MpqcParser_Parameters::getString() - could not convert "
237 +ParamNames[_param]+" to string!" << std::endl);
238 }
239 value = TheoryNames[(enum Theory)Tindex];
240 break;
241 default:
242 try {
243 value = boost::any_cast<std::string>(params[_param]);
244 } catch(const boost::bad_any_cast &) {
245 DoeLog(0) && (eLog() << Verbose(0)
246 << "MpqcParser_Parameters::getString() - could not convert "
247 +ParamNames[_param]+" to string!" << std::endl);
248 }
249 break;
250 }
251
252 return value;
253}
254
255int MpqcParser_Parameters::getInt(enum Parameters _param)
256{
257 int value;
258 switch (_param) {
259 default:
260 try {
261 value = boost::any_cast<int>(params[_param]);
262 } catch(const boost::bad_any_cast &) {
263 DoeLog(0) && (eLog() << Verbose(0)
264 << "MpqcParser_Parameters::getInt() - could not convert "
265 +ParamNames[_param]+" to int!" << std::endl);
266 }
267 break;
268 }
269 return value;
270}
271
272double MpqcParser_Parameters::getDouble(enum Parameters _param)
273 {
274 double value;
275 try {
276 value = boost::any_cast<double>(params[_param]);
277 } catch(const boost::bad_any_cast &) {
278 DoeLog(0) && (eLog() << Verbose(0)
279 << "MpqcParser_Parameters::getDouble() - could not convert "
280 +ParamNames[_param]+" to double!" << std::endl);
281 }
282 return value;
283}
284
285bool MpqcParser_Parameters::getBool(enum Parameters _param)
286{
287 bool value;
288 try {
289 value = boost::any_cast<bool>(params[_param]);
290 } catch(const boost::bad_any_cast &) {
291 DoeLog(0) && (eLog() << Verbose(0)
292 << "MpqcParser_Parameters::getBool() - could not convert "
293 +ParamNames[_param]+" to bool!" << std::endl);
294 }
295 return value;
296}
297
298
299/** Checks whether all elements in the world also have parameters in the basis.
300 *
301 * @return true - all elements parametrized, false - at least one element is missing.
302 */
303bool MpqcParser_Parameters::checkWorldElementsAgainstCurrentBasis() const
304{
305 DoeLog(0) && (eLog() << Verbose(0)
306 << "MpqcParser_Parameters::checkWorldElementsAgainstCurrentBasis() - not implemented yet."
307 << std::endl);
308
309 return false;
310}
311
312void MpqcParser_Parameters::initBasis()
313{
314 // list is obtained via the following shell script
315 //for basis in ~/install/share/mpqc/3.0.0-alpha/basis/*.kv; do
316 // grep ": \"" $basis | awk -F":" '{print "\tBasisList["$2"].push_back(\""$1"\");"}' | tr -d \ ;
317 //done
318
319 BasisList["3-21G"].push_back("hydrogen");
320 BasisList["3-21G"].push_back("helium");
321 BasisList["3-21G"].push_back("lithium");
322 BasisList["3-21G"].push_back("beryllium");
323 BasisList["3-21G"].push_back("boron");
324 BasisList["3-21G"].push_back("carbon");
325 BasisList["3-21G"].push_back("nitrogen");
326 BasisList["3-21G"].push_back("oxygen");
327 BasisList["3-21G"].push_back("fluorine");
328 BasisList["3-21G"].push_back("neon");
329 BasisList["3-21G"].push_back("sodium");
330 BasisList["3-21G"].push_back("magnesium");
331 BasisList["3-21G"].push_back("aluminum");
332 BasisList["3-21G"].push_back("silicon");
333 BasisList["3-21G"].push_back("phosphorus");
334 BasisList["3-21G"].push_back("sulfur");
335 BasisList["3-21G"].push_back("chlorine");
336 BasisList["3-21G"].push_back("argon");
337 BasisList["3-21G"].push_back("potassium");
338 BasisList["3-21G"].push_back("calcium");
339 BasisList["3-21G"].push_back("scandium");
340 BasisList["3-21G"].push_back("titanium");
341 BasisList["3-21G"].push_back("vanadium");
342 BasisList["3-21G"].push_back("chromium");
343 BasisList["3-21G"].push_back("manganese");
344 BasisList["3-21G"].push_back("iron");
345 BasisList["3-21G"].push_back("cobalt");
346 BasisList["3-21G"].push_back("nickel");
347 BasisList["3-21G"].push_back("copper");
348 BasisList["3-21G"].push_back("zinc");
349 BasisList["3-21G"].push_back("gallium");
350 BasisList["3-21G"].push_back("germanium");
351 BasisList["3-21G"].push_back("arsenic");
352 BasisList["3-21G"].push_back("selenium");
353 BasisList["3-21G"].push_back("bromine");
354 BasisList["3-21G"].push_back("krypton");
355 BasisList["3-21G*"].push_back("hydrogen");
356 BasisList["3-21G*"].push_back("helium");
357 BasisList["3-21G*"].push_back("lithium");
358 BasisList["3-21G*"].push_back("beryllium");
359 BasisList["3-21G*"].push_back("boron");
360 BasisList["3-21G*"].push_back("carbon");
361 BasisList["3-21G*"].push_back("nitrogen");
362 BasisList["3-21G*"].push_back("oxygen");
363 BasisList["3-21G*"].push_back("fluorine");
364 BasisList["3-21G*"].push_back("neon");
365 BasisList["3-21G*"].push_back("sodium");
366 BasisList["3-21G*"].push_back("magnesium");
367 BasisList["3-21G*"].push_back("aluminum");
368 BasisList["3-21G*"].push_back("silicon");
369 BasisList["3-21G*"].push_back("phosphorus");
370 BasisList["3-21G*"].push_back("sulfur");
371 BasisList["3-21G*"].push_back("chlorine");
372 BasisList["3-21G*"].push_back("argon");
373 BasisList["3-21++G"].push_back("hydrogen");
374 BasisList["3-21++G"].push_back("helium");
375 BasisList["3-21++G"].push_back("lithium");
376 BasisList["3-21++G"].push_back("beryllium");
377 BasisList["3-21++G"].push_back("boron");
378 BasisList["3-21++G"].push_back("carbon");
379 BasisList["3-21++G"].push_back("nitrogen");
380 BasisList["3-21++G"].push_back("oxygen");
381 BasisList["3-21++G"].push_back("fluorine");
382 BasisList["3-21++G"].push_back("neon");
383 BasisList["3-21++G"].push_back("sodium");
384 BasisList["3-21++G"].push_back("magnesium");
385 BasisList["3-21++G"].push_back("aluminum");
386 BasisList["3-21++G"].push_back("silicon");
387 BasisList["3-21++G"].push_back("phosphorus");
388 BasisList["3-21++G"].push_back("sulfur");
389 BasisList["3-21++G"].push_back("chlorine");
390 BasisList["3-21++G"].push_back("argon");
391 BasisList["3-21++G*"].push_back("hydrogen");
392 BasisList["3-21++G*"].push_back("helium");
393 BasisList["3-21++G*"].push_back("lithium");
394 BasisList["3-21++G*"].push_back("beryllium");
395 BasisList["3-21++G*"].push_back("boron");
396 BasisList["3-21++G*"].push_back("carbon");
397 BasisList["3-21++G*"].push_back("nitrogen");
398 BasisList["3-21++G*"].push_back("oxygen");
399 BasisList["3-21++G*"].push_back("fluorine");
400 BasisList["3-21++G*"].push_back("neon");
401 BasisList["3-21++G*"].push_back("sodium");
402 BasisList["3-21++G*"].push_back("magnesium");
403 BasisList["3-21++G*"].push_back("aluminum");
404 BasisList["3-21++G*"].push_back("silicon");
405 BasisList["3-21++G*"].push_back("phosphorus");
406 BasisList["3-21++G*"].push_back("sulfur");
407 BasisList["3-21++G*"].push_back("chlorine");
408 BasisList["3-21++G*"].push_back("argon");
409 BasisList["4-31G"].push_back("hydrogen");
410 BasisList["4-31G"].push_back("helium");
411 BasisList["4-31G"].push_back("lithium");
412 BasisList["4-31G"].push_back("beryllium");
413 BasisList["4-31G"].push_back("boron");
414 BasisList["4-31G"].push_back("carbon");
415 BasisList["4-31G"].push_back("nitrogen");
416 BasisList["4-31G"].push_back("oxygen");
417 BasisList["4-31G"].push_back("fluorine");
418 BasisList["4-31G"].push_back("neon");
419 BasisList["4-31G"].push_back("phosphorus");
420 BasisList["4-31G"].push_back("sulfur");
421 BasisList["4-31G"].push_back("chlorine");
422 BasisList["6-311G"].push_back("hydrogen");
423 BasisList["6-311G"].push_back("helium");
424 BasisList["6-311G"].push_back("lithium");
425 BasisList["6-311G"].push_back("beryllium");
426 BasisList["6-311G"].push_back("boron");
427 BasisList["6-311G"].push_back("carbon");
428 BasisList["6-311G"].push_back("nitrogen");
429 BasisList["6-311G"].push_back("oxygen");
430 BasisList["6-311G"].push_back("fluorine");
431 BasisList["6-311G"].push_back("neon");
432 BasisList["6-311G"].push_back("sodium");
433 BasisList["6-311G"].push_back("magnesium");
434 BasisList["6-311G"].push_back("aluminum");
435 BasisList["6-311G"].push_back("silicon");
436 BasisList["6-311G"].push_back("phosphorus");
437 BasisList["6-311G"].push_back("sulfur");
438 BasisList["6-311G"].push_back("chlorine");
439 BasisList["6-311G"].push_back("argon");
440 BasisList["6-311G"].push_back("potassium");
441 BasisList["6-311G"].push_back("calcium");
442 BasisList["6-311G"].push_back("gallium");
443 BasisList["6-311G"].push_back("germanium");
444 BasisList["6-311G"].push_back("arsenic");
445 BasisList["6-311G"].push_back("selenium");
446 BasisList["6-311G"].push_back("bromine");
447 BasisList["6-311G"].push_back("krypton");
448 BasisList["6-311G(2df,2pd)"].push_back("hydrogen");
449 BasisList["6-311G(2df,2pd)"].push_back("helium");
450 BasisList["6-311G(2df,2pd)"].push_back("lithium");
451 BasisList["6-311G(2df,2pd)"].push_back("beryllium");
452 BasisList["6-311G(2df,2pd)"].push_back("boron");
453 BasisList["6-311G(2df,2pd)"].push_back("carbon");
454 BasisList["6-311G(2df,2pd)"].push_back("nitrogen");
455 BasisList["6-311G(2df,2pd)"].push_back("oxygen");
456 BasisList["6-311G(2df,2pd)"].push_back("fluorine");
457 BasisList["6-311G(2df,2pd)"].push_back("neon");
458 BasisList["6-311G(2df,2pd)"].push_back("potassium");
459 BasisList["6-311G(2df,2pd)"].push_back("calcium");
460 BasisList["6-311G*"].push_back("hydrogen");
461 BasisList["6-311G*"].push_back("helium");
462 BasisList["6-311G*"].push_back("lithium");
463 BasisList["6-311G*"].push_back("beryllium");
464 BasisList["6-311G*"].push_back("boron");
465 BasisList["6-311G*"].push_back("carbon");
466 BasisList["6-311G*"].push_back("nitrogen");
467 BasisList["6-311G*"].push_back("oxygen");
468 BasisList["6-311G*"].push_back("fluorine");
469 BasisList["6-311G*"].push_back("neon");
470 BasisList["6-311G*"].push_back("sodium");
471 BasisList["6-311G*"].push_back("magnesium");
472 BasisList["6-311G*"].push_back("aluminum");
473 BasisList["6-311G*"].push_back("silicon");
474 BasisList["6-311G*"].push_back("phosphorus");
475 BasisList["6-311G*"].push_back("sulfur");
476 BasisList["6-311G*"].push_back("chlorine");
477 BasisList["6-311G*"].push_back("argon");
478 BasisList["6-311G*"].push_back("potassium");
479 BasisList["6-311G*"].push_back("calcium");
480 BasisList["6-311G*"].push_back("gallium");
481 BasisList["6-311G*"].push_back("germanium");
482 BasisList["6-311G*"].push_back("arsenic");
483 BasisList["6-311G*"].push_back("selenium");
484 BasisList["6-311G*"].push_back("bromine");
485 BasisList["6-311G*"].push_back("krypton");
486 BasisList["6-311G**"].push_back("hydrogen");
487 BasisList["6-311G**"].push_back("helium");
488 BasisList["6-311G**"].push_back("lithium");
489 BasisList["6-311G**"].push_back("beryllium");
490 BasisList["6-311G**"].push_back("boron");
491 BasisList["6-311G**"].push_back("carbon");
492 BasisList["6-311G**"].push_back("nitrogen");
493 BasisList["6-311G**"].push_back("oxygen");
494 BasisList["6-311G**"].push_back("fluorine");
495 BasisList["6-311G**"].push_back("neon");
496 BasisList["6-311G**"].push_back("sodium");
497 BasisList["6-311G**"].push_back("magnesium");
498 BasisList["6-311G**"].push_back("aluminum");
499 BasisList["6-311G**"].push_back("silicon");
500 BasisList["6-311G**"].push_back("phosphorus");
501 BasisList["6-311G**"].push_back("sulfur");
502 BasisList["6-311G**"].push_back("chlorine");
503 BasisList["6-311G**"].push_back("argon");
504 BasisList["6-311G**"].push_back("potassium");
505 BasisList["6-311G**"].push_back("calcium");
506 BasisList["6-311G**"].push_back("gallium");
507 BasisList["6-311G**"].push_back("germanium");
508 BasisList["6-311G**"].push_back("arsenic");
509 BasisList["6-311G**"].push_back("selenium");
510 BasisList["6-311G**"].push_back("bromine");
511 BasisList["6-311G**"].push_back("krypton");
512 BasisList["6-311++G(2d,2p)"].push_back("hydrogen");
513 BasisList["6-311++G(2d,2p)"].push_back("helium");
514 BasisList["6-311++G(2d,2p)"].push_back("lithium");
515 BasisList["6-311++G(2d,2p)"].push_back("beryllium");
516 BasisList["6-311++G(2d,2p)"].push_back("boron");
517 BasisList["6-311++G(2d,2p)"].push_back("carbon");
518 BasisList["6-311++G(2d,2p)"].push_back("nitrogen");
519 BasisList["6-311++G(2d,2p)"].push_back("oxygen");
520 BasisList["6-311++G(2d,2p)"].push_back("fluorine");
521 BasisList["6-311++G(2d,2p)"].push_back("neon");
522 BasisList["6-311++G(2d,2p)"].push_back("sodium");
523 BasisList["6-311++G(2d,2p)"].push_back("magnesium");
524 BasisList["6-311++G(2d,2p)"].push_back("aluminum");
525 BasisList["6-311++G(2d,2p)"].push_back("silicon");
526 BasisList["6-311++G(2d,2p)"].push_back("phosphorus");
527 BasisList["6-311++G(2d,2p)"].push_back("sulfur");
528 BasisList["6-311++G(2d,2p)"].push_back("chlorine");
529 BasisList["6-311++G(2d,2p)"].push_back("argon");
530 BasisList["6-311++G(2d,2p)"].push_back("potassium");
531 BasisList["6-311++G(2d,2p)"].push_back("calcium");
532 BasisList["6-311++G(3df,3pd)"].push_back("hydrogen");
533 BasisList["6-311++G(3df,3pd)"].push_back("helium");
534 BasisList["6-311++G(3df,3pd)"].push_back("lithium");
535 BasisList["6-311++G(3df,3pd)"].push_back("beryllium");
536 BasisList["6-311++G(3df,3pd)"].push_back("boron");
537 BasisList["6-311++G(3df,3pd)"].push_back("carbon");
538 BasisList["6-311++G(3df,3pd)"].push_back("nitrogen");
539 BasisList["6-311++G(3df,3pd)"].push_back("oxygen");
540 BasisList["6-311++G(3df,3pd)"].push_back("fluorine");
541 BasisList["6-311++G(3df,3pd)"].push_back("neon");
542 BasisList["6-311++G(3df,3pd)"].push_back("sodium");
543 BasisList["6-311++G(3df,3pd)"].push_back("magnesium");
544 BasisList["6-311++G(3df,3pd)"].push_back("aluminum");
545 BasisList["6-311++G(3df,3pd)"].push_back("silicon");
546 BasisList["6-311++G(3df,3pd)"].push_back("phosphorus");
547 BasisList["6-311++G(3df,3pd)"].push_back("sulfur");
548 BasisList["6-311++G(3df,3pd)"].push_back("chlorine");
549 BasisList["6-311++G(3df,3pd)"].push_back("argon");
550 BasisList["6-311++G**"].push_back("hydrogen");
551 BasisList["6-311++G**"].push_back("helium");
552 BasisList["6-311++G**"].push_back("lithium");
553 BasisList["6-311++G**"].push_back("beryllium");
554 BasisList["6-311++G**"].push_back("boron");
555 BasisList["6-311++G**"].push_back("carbon");
556 BasisList["6-311++G**"].push_back("nitrogen");
557 BasisList["6-311++G**"].push_back("oxygen");
558 BasisList["6-311++G**"].push_back("fluorine");
559 BasisList["6-311++G**"].push_back("neon");
560 BasisList["6-31G"].push_back("hydrogen");
561 BasisList["6-31G"].push_back("helium");
562 BasisList["6-31G"].push_back("lithium");
563 BasisList["6-31G"].push_back("beryllium");
564 BasisList["6-31G"].push_back("boron");
565 BasisList["6-31G"].push_back("carbon");
566 BasisList["6-31G"].push_back("nitrogen");
567 BasisList["6-31G"].push_back("oxygen");
568 BasisList["6-31G"].push_back("fluorine");
569 BasisList["6-31G"].push_back("neon");
570 BasisList["6-31G"].push_back("sodium");
571 BasisList["6-31G"].push_back("magnesium");
572 BasisList["6-31G"].push_back("aluminum");
573 BasisList["6-31G"].push_back("silicon");
574 BasisList["6-31G"].push_back("phosphorus");
575 BasisList["6-31G"].push_back("sulfur");
576 BasisList["6-31G"].push_back("chlorine");
577 BasisList["6-31G"].push_back("argon");
578 BasisList["6-31G"].push_back("potassium");
579 BasisList["6-31G"].push_back("calcium");
580 BasisList["6-31G"].push_back("scandium");
581 BasisList["6-31G"].push_back("titanium");
582 BasisList["6-31G"].push_back("vanadium");
583 BasisList["6-31G"].push_back("chromium");
584 BasisList["6-31G"].push_back("manganese");
585 BasisList["6-31G"].push_back("iron");
586 BasisList["6-31G"].push_back("cobalt");
587 BasisList["6-31G"].push_back("nickel");
588 BasisList["6-31G"].push_back("copper");
589 BasisList["6-31G"].push_back("zinc");
590 BasisList["6-31G*"].push_back("hydrogen");
591 BasisList["6-31G*"].push_back("helium");
592 BasisList["6-31G*"].push_back("lithium");
593 BasisList["6-31G*"].push_back("beryllium");
594 BasisList["6-31G*"].push_back("boron");
595 BasisList["6-31G*"].push_back("carbon");
596 BasisList["6-31G*"].push_back("nitrogen");
597 BasisList["6-31G*"].push_back("oxygen");
598 BasisList["6-31G*"].push_back("fluorine");
599 BasisList["6-31G*"].push_back("neon");
600 BasisList["6-31G*"].push_back("sodium");
601 BasisList["6-31G*"].push_back("magnesium");
602 BasisList["6-31G*"].push_back("aluminum");
603 BasisList["6-31G*"].push_back("silicon");
604 BasisList["6-31G*"].push_back("phosphorus");
605 BasisList["6-31G*"].push_back("sulfur");
606 BasisList["6-31G*"].push_back("chlorine");
607 BasisList["6-31G*"].push_back("argon");
608 BasisList["6-31G*"].push_back("potassium");
609 BasisList["6-31G*"].push_back("calcium");
610 BasisList["6-31G*"].push_back("scandium");
611 BasisList["6-31G*"].push_back("titanium");
612 BasisList["6-31G*"].push_back("vanadium");
613 BasisList["6-31G*"].push_back("chromium");
614 BasisList["6-31G*"].push_back("manganese");
615 BasisList["6-31G*"].push_back("iron");
616 BasisList["6-31G*"].push_back("cobalt");
617 BasisList["6-31G*"].push_back("nickel");
618 BasisList["6-31G*"].push_back("copper");
619 BasisList["6-31G*"].push_back("zinc");
620 BasisList["6-31G**"].push_back("hydrogen");
621 BasisList["6-31G**"].push_back("helium");
622 BasisList["6-31G**"].push_back("lithium");
623 BasisList["6-31G**"].push_back("beryllium");
624 BasisList["6-31G**"].push_back("boron");
625 BasisList["6-31G**"].push_back("carbon");
626 BasisList["6-31G**"].push_back("nitrogen");
627 BasisList["6-31G**"].push_back("oxygen");
628 BasisList["6-31G**"].push_back("fluorine");
629 BasisList["6-31G**"].push_back("neon");
630 BasisList["6-31G**"].push_back("sodium");
631 BasisList["6-31G**"].push_back("magnesium");
632 BasisList["6-31G**"].push_back("aluminum");
633 BasisList["6-31G**"].push_back("silicon");
634 BasisList["6-31G**"].push_back("phosphorus");
635 BasisList["6-31G**"].push_back("sulfur");
636 BasisList["6-31G**"].push_back("chlorine");
637 BasisList["6-31G**"].push_back("argon");
638 BasisList["6-31G**"].push_back("potassium");
639 BasisList["6-31G**"].push_back("calcium");
640 BasisList["6-31G**"].push_back("scandium");
641 BasisList["6-31G**"].push_back("titanium");
642 BasisList["6-31G**"].push_back("vanadium");
643 BasisList["6-31G**"].push_back("chromium");
644 BasisList["6-31G**"].push_back("manganese");
645 BasisList["6-31G**"].push_back("iron");
646 BasisList["6-31G**"].push_back("cobalt");
647 BasisList["6-31G**"].push_back("nickel");
648 BasisList["6-31G**"].push_back("copper");
649 BasisList["6-31G**"].push_back("zinc");
650 BasisList["6-31+G*"].push_back("hydrogen");
651 BasisList["6-31+G*"].push_back("helium");
652 BasisList["6-31+G*"].push_back("lithium");
653 BasisList["6-31+G*"].push_back("beryllium");
654 BasisList["6-31+G*"].push_back("boron");
655 BasisList["6-31+G*"].push_back("carbon");
656 BasisList["6-31+G*"].push_back("nitrogen");
657 BasisList["6-31+G*"].push_back("oxygen");
658 BasisList["6-31+G*"].push_back("fluorine");
659 BasisList["6-31+G*"].push_back("neon");
660 BasisList["6-31+G*"].push_back("sodium");
661 BasisList["6-31+G*"].push_back("magnesium");
662 BasisList["6-31+G*"].push_back("aluminum");
663 BasisList["6-31+G*"].push_back("silicon");
664 BasisList["6-31+G*"].push_back("phosphorus");
665 BasisList["6-31+G*"].push_back("sulfur");
666 BasisList["6-31+G*"].push_back("chlorine");
667 BasisList["6-31+G*"].push_back("argon");
668 BasisList["6-31++G"].push_back("hydrogen");
669 BasisList["6-31++G"].push_back("helium");
670 BasisList["6-31++G"].push_back("lithium");
671 BasisList["6-31++G"].push_back("beryllium");
672 BasisList["6-31++G"].push_back("boron");
673 BasisList["6-31++G"].push_back("carbon");
674 BasisList["6-31++G"].push_back("nitrogen");
675 BasisList["6-31++G"].push_back("oxygen");
676 BasisList["6-31++G"].push_back("fluorine");
677 BasisList["6-31++G"].push_back("neon");
678 BasisList["6-31++G"].push_back("sodium");
679 BasisList["6-31++G"].push_back("magnesium");
680 BasisList["6-31++G"].push_back("aluminum");
681 BasisList["6-31++G"].push_back("silicon");
682 BasisList["6-31++G"].push_back("phosphorus");
683 BasisList["6-31++G"].push_back("sulfur");
684 BasisList["6-31++G"].push_back("chlorine");
685 BasisList["6-31++G"].push_back("argon");
686 BasisList["6-31++G"].push_back("potassium");
687 BasisList["6-31++G"].push_back("calcium");
688 BasisList["6-31++G*"].push_back("hydrogen");
689 BasisList["6-31++G*"].push_back("helium");
690 BasisList["6-31++G*"].push_back("lithium");
691 BasisList["6-31++G*"].push_back("beryllium");
692 BasisList["6-31++G*"].push_back("boron");
693 BasisList["6-31++G*"].push_back("carbon");
694 BasisList["6-31++G*"].push_back("nitrogen");
695 BasisList["6-31++G*"].push_back("oxygen");
696 BasisList["6-31++G*"].push_back("fluorine");
697 BasisList["6-31++G*"].push_back("neon");
698 BasisList["6-31++G*"].push_back("sodium");
699 BasisList["6-31++G*"].push_back("magnesium");
700 BasisList["6-31++G*"].push_back("aluminum");
701 BasisList["6-31++G*"].push_back("silicon");
702 BasisList["6-31++G*"].push_back("phosphorus");
703 BasisList["6-31++G*"].push_back("sulfur");
704 BasisList["6-31++G*"].push_back("chlorine");
705 BasisList["6-31++G*"].push_back("argon");
706 BasisList["6-31++G**"].push_back("hydrogen");
707 BasisList["6-31++G**"].push_back("helium");
708 BasisList["6-31++G**"].push_back("lithium");
709 BasisList["6-31++G**"].push_back("beryllium");
710 BasisList["6-31++G**"].push_back("boron");
711 BasisList["6-31++G**"].push_back("carbon");
712 BasisList["6-31++G**"].push_back("nitrogen");
713 BasisList["6-31++G**"].push_back("oxygen");
714 BasisList["6-31++G**"].push_back("fluorine");
715 BasisList["6-31++G**"].push_back("neon");
716 BasisList["6-31++G**"].push_back("sodium");
717 BasisList["6-31++G**"].push_back("magnesium");
718 BasisList["6-31++G**"].push_back("aluminum");
719 BasisList["6-31++G**"].push_back("silicon");
720 BasisList["6-31++G**"].push_back("phosphorus");
721 BasisList["6-31++G**"].push_back("sulfur");
722 BasisList["6-31++G**"].push_back("chlorine");
723 BasisList["6-31++G**"].push_back("argon");
724 BasisList["aug-cc-pCV5Z"].push_back("boron");
725 BasisList["aug-cc-pCV5Z"].push_back("carbon");
726 BasisList["aug-cc-pCV5Z"].push_back("nitrogen");
727 BasisList["aug-cc-pCV5Z"].push_back("oxygen");
728 BasisList["aug-cc-pCV5Z"].push_back("fluorine");
729 BasisList["aug-cc-pCV5Z"].push_back("neon");
730 BasisList["aug-cc-pCVDZ"].push_back("boron");
731 BasisList["aug-cc-pCVDZ"].push_back("carbon");
732 BasisList["aug-cc-pCVDZ"].push_back("nitrogen");
733 BasisList["aug-cc-pCVDZ"].push_back("oxygen");
734 BasisList["aug-cc-pCVDZ"].push_back("fluorine");
735 BasisList["aug-cc-pCVDZ"].push_back("neon");
736 BasisList["aug-cc-pCVDZ"].push_back("aluminum");
737 BasisList["aug-cc-pCVDZ"].push_back("silicon");
738 BasisList["aug-cc-pCVDZ"].push_back("phosphorus");
739 BasisList["aug-cc-pCVDZ"].push_back("sulfur");
740 BasisList["aug-cc-pCVDZ"].push_back("chlorine");
741 BasisList["aug-cc-pCVDZ"].push_back("argon");
742 BasisList["aug-cc-pCVQZ"].push_back("boron");
743 BasisList["aug-cc-pCVQZ"].push_back("carbon");
744 BasisList["aug-cc-pCVQZ"].push_back("nitrogen");
745 BasisList["aug-cc-pCVQZ"].push_back("oxygen");
746 BasisList["aug-cc-pCVQZ"].push_back("fluorine");
747 BasisList["aug-cc-pCVQZ"].push_back("neon");
748 BasisList["aug-cc-pCVQZ"].push_back("aluminum");
749 BasisList["aug-cc-pCVQZ"].push_back("silicon");
750 BasisList["aug-cc-pCVQZ"].push_back("phosphorus");
751 BasisList["aug-cc-pCVQZ"].push_back("sulfur");
752 BasisList["aug-cc-pCVQZ"].push_back("chlorine");
753 BasisList["aug-cc-pCVQZ"].push_back("argon");
754 BasisList["aug-cc-pCVTZ"].push_back("boron");
755 BasisList["aug-cc-pCVTZ"].push_back("carbon");
756 BasisList["aug-cc-pCVTZ"].push_back("nitrogen");
757 BasisList["aug-cc-pCVTZ"].push_back("oxygen");
758 BasisList["aug-cc-pCVTZ"].push_back("fluorine");
759 BasisList["aug-cc-pCVTZ"].push_back("neon");
760 BasisList["aug-cc-pCVTZ"].push_back("aluminum");
761 BasisList["aug-cc-pCVTZ"].push_back("silicon");
762 BasisList["aug-cc-pCVTZ"].push_back("phosphorus");
763 BasisList["aug-cc-pCVTZ"].push_back("sulfur");
764 BasisList["aug-cc-pCVTZ"].push_back("chlorine");
765 BasisList["aug-cc-pCVTZ"].push_back("argon");
766 BasisList["aug-cc-pV5Z"].push_back("hydrogen");
767 BasisList["aug-cc-pV5Z"].push_back("helium");
768 BasisList["aug-cc-pV5Z"].push_back("boron");
769 BasisList["aug-cc-pV5Z"].push_back("carbon");
770 BasisList["aug-cc-pV5Z"].push_back("nitrogen");
771 BasisList["aug-cc-pV5Z"].push_back("oxygen");
772 BasisList["aug-cc-pV5Z"].push_back("fluorine");
773 BasisList["aug-cc-pV5Z"].push_back("neon");
774 BasisList["aug-cc-pV5Z"].push_back("aluminum");
775 BasisList["aug-cc-pV5Z"].push_back("silicon");
776 BasisList["aug-cc-pV5Z"].push_back("phosphorus");
777 BasisList["aug-cc-pV5Z"].push_back("sulfur");
778 BasisList["aug-cc-pV5Z"].push_back("chlorine");
779 BasisList["aug-cc-pV5Z"].push_back("argon");
780 BasisList["aug-cc-pV5Z"].push_back("gallium");
781 BasisList["aug-cc-pV5Z"].push_back("germanium");
782 BasisList["aug-cc-pV5Z"].push_back("arsenic");
783 BasisList["aug-cc-pV5Z"].push_back("selenium");
784 BasisList["aug-cc-pV5Z"].push_back("bromine");
785 BasisList["aug-cc-pV5Z"].push_back("krypton");
786 BasisList["aug-cc-pV6Z"].push_back("hydrogen");
787 BasisList["aug-cc-pV6Z"].push_back("helium");
788 BasisList["aug-cc-pV6Z"].push_back("boron");
789 BasisList["aug-cc-pV6Z"].push_back("carbon");
790 BasisList["aug-cc-pV6Z"].push_back("nitrogen");
791 BasisList["aug-cc-pV6Z"].push_back("oxygen");
792 BasisList["aug-cc-pV6Z"].push_back("fluorine");
793 BasisList["aug-cc-pV6Z"].push_back("neon");
794 BasisList["aug-cc-pV6Z"].push_back("aluminum");
795 BasisList["aug-cc-pV6Z"].push_back("silicon");
796 BasisList["aug-cc-pV6Z"].push_back("phosphorus");
797 BasisList["aug-cc-pV6Z"].push_back("sulfur");
798 BasisList["aug-cc-pV6Z"].push_back("chlorine");
799 BasisList["aug-cc-pV6Z"].push_back("argon");
800 BasisList["aug-cc-pVDZ"].push_back("hydrogen");
801 BasisList["aug-cc-pVDZ"].push_back("helium");
802 BasisList["aug-cc-pVDZ"].push_back("boron");
803 BasisList["aug-cc-pVDZ"].push_back("carbon");
804 BasisList["aug-cc-pVDZ"].push_back("nitrogen");
805 BasisList["aug-cc-pVDZ"].push_back("oxygen");
806 BasisList["aug-cc-pVDZ"].push_back("fluorine");
807 BasisList["aug-cc-pVDZ"].push_back("neon");
808 BasisList["aug-cc-pVDZ"].push_back("aluminum");
809 BasisList["aug-cc-pVDZ"].push_back("silicon");
810 BasisList["aug-cc-pVDZ"].push_back("phosphorus");
811 BasisList["aug-cc-pVDZ"].push_back("sulfur");
812 BasisList["aug-cc-pVDZ"].push_back("chlorine");
813 BasisList["aug-cc-pVDZ"].push_back("argon");
814 BasisList["aug-cc-pVDZ"].push_back("gallium");
815 BasisList["aug-cc-pVDZ"].push_back("germanium");
816 BasisList["aug-cc-pVDZ"].push_back("arsenic");
817 BasisList["aug-cc-pVDZ"].push_back("selenium");
818 BasisList["aug-cc-pVDZ"].push_back("bromine");
819 BasisList["aug-cc-pVDZ"].push_back("krypton");
820 BasisList["aug-cc-pVQZ"].push_back("hydrogen");
821 BasisList["aug-cc-pVQZ"].push_back("helium");
822 BasisList["aug-cc-pVQZ"].push_back("boron");
823 BasisList["aug-cc-pVQZ"].push_back("carbon");
824 BasisList["aug-cc-pVQZ"].push_back("nitrogen");
825 BasisList["aug-cc-pVQZ"].push_back("oxygen");
826 BasisList["aug-cc-pVQZ"].push_back("fluorine");
827 BasisList["aug-cc-pVQZ"].push_back("neon");
828 BasisList["aug-cc-pVQZ"].push_back("aluminum");
829 BasisList["aug-cc-pVQZ"].push_back("silicon");
830 BasisList["aug-cc-pVQZ"].push_back("phosphorus");
831 BasisList["aug-cc-pVQZ"].push_back("sulfur");
832 BasisList["aug-cc-pVQZ"].push_back("chlorine");
833 BasisList["aug-cc-pVQZ"].push_back("argon");
834 BasisList["aug-cc-pVQZ"].push_back("gallium");
835 BasisList["aug-cc-pVQZ"].push_back("germanium");
836 BasisList["aug-cc-pVQZ"].push_back("arsenic");
837 BasisList["aug-cc-pVQZ"].push_back("selenium");
838 BasisList["aug-cc-pVQZ"].push_back("bromine");
839 BasisList["aug-cc-pVQZ"].push_back("krypton");
840 BasisList["aug-cc-pVTZ"].push_back("hydrogen");
841 BasisList["aug-cc-pVTZ"].push_back("helium");
842 BasisList["aug-cc-pVTZ"].push_back("boron");
843 BasisList["aug-cc-pVTZ"].push_back("carbon");
844 BasisList["aug-cc-pVTZ"].push_back("nitrogen");
845 BasisList["aug-cc-pVTZ"].push_back("oxygen");
846 BasisList["aug-cc-pVTZ"].push_back("fluorine");
847 BasisList["aug-cc-pVTZ"].push_back("neon");
848 BasisList["aug-cc-pVTZ"].push_back("aluminum");
849 BasisList["aug-cc-pVTZ"].push_back("silicon");
850 BasisList["aug-cc-pVTZ"].push_back("phosphorus");
851 BasisList["aug-cc-pVTZ"].push_back("sulfur");
852 BasisList["aug-cc-pVTZ"].push_back("chlorine");
853 BasisList["aug-cc-pVTZ"].push_back("argon");
854 BasisList["aug-cc-pVTZ"].push_back("gallium");
855 BasisList["aug-cc-pVTZ"].push_back("germanium");
856 BasisList["aug-cc-pVTZ"].push_back("arsenic");
857 BasisList["aug-cc-pVTZ"].push_back("selenium");
858 BasisList["aug-cc-pVTZ"].push_back("bromine");
859 BasisList["aug-cc-pVTZ"].push_back("krypton");
860 BasisList["augmentation-cc-pV5Z-DK"].push_back("scandium");
861 BasisList["augmentation-cc-pV5Z-DK"].push_back("titanium");
862 BasisList["augmentation-cc-pV5Z-DK"].push_back("vanadium");
863 BasisList["augmentation-cc-pV5Z-DK"].push_back("chromium");
864 BasisList["augmentation-cc-pV5Z-DK"].push_back("manganese");
865 BasisList["augmentation-cc-pV5Z-DK"].push_back("iron");
866 BasisList["augmentation-cc-pV5Z-DK"].push_back("cobalt");
867 BasisList["augmentation-cc-pV5Z-DK"].push_back("nickel");
868 BasisList["augmentation-cc-pV5Z-DK"].push_back("copper");
869 BasisList["augmentation-cc-pV5Z-DK"].push_back("zinc");
870 BasisList["augmentation-cc-pV5Z"].push_back("hydrogen");
871 BasisList["augmentation-cc-pV5Z"].push_back("boron");
872 BasisList["augmentation-cc-pV5Z"].push_back("carbon");
873 BasisList["augmentation-cc-pV5Z"].push_back("nitrogen");
874 BasisList["augmentation-cc-pV5Z"].push_back("oxygen");
875 BasisList["augmentation-cc-pV5Z"].push_back("fluorine");
876 BasisList["augmentation-cc-pV5Z"].push_back("neon");
877 BasisList["augmentation-cc-pV5Z"].push_back("aluminum");
878 BasisList["augmentation-cc-pV5Z"].push_back("silicon");
879 BasisList["augmentation-cc-pV5Z"].push_back("phosphorus");
880 BasisList["augmentation-cc-pV5Z"].push_back("sulfur");
881 BasisList["augmentation-cc-pV5Z"].push_back("chlorine");
882 BasisList["augmentation-cc-pV5Z"].push_back("argon");
883 BasisList["augmentation-cc-pV5Z"].push_back("gallium");
884 BasisList["augmentation-cc-pV5Z"].push_back("germanium");
885 BasisList["augmentation-cc-pV5Z"].push_back("arsenic");
886 BasisList["augmentation-cc-pV5Z"].push_back("selenium");
887 BasisList["augmentation-cc-pV5Z"].push_back("bromine");
888 BasisList["augmentation-cc-pV5Z"].push_back("krypton");
889 BasisList["augmentation-cc-pV5Z"].push_back("scandium");
890 BasisList["augmentation-cc-pV5Z"].push_back("titanium");
891 BasisList["augmentation-cc-pV5Z"].push_back("vanadium");
892 BasisList["augmentation-cc-pV5Z"].push_back("chromium");
893 BasisList["augmentation-cc-pV5Z"].push_back("manganese");
894 BasisList["augmentation-cc-pV5Z"].push_back("iron");
895 BasisList["augmentation-cc-pV5Z"].push_back("cobalt");
896 BasisList["augmentation-cc-pV5Z"].push_back("nickel");
897 BasisList["augmentation-cc-pV5Z"].push_back("copper");
898 BasisList["augmentation-cc-pV5Z"].push_back("zinc");
899 BasisList["augmentation-cc-pV5Z-RI"].push_back("hydrogen");
900 BasisList["augmentation-cc-pV5Z-RI"].push_back("helium");
901 BasisList["augmentation-cc-pV5Z-RI"].push_back("boron");
902 BasisList["augmentation-cc-pV5Z-RI"].push_back("carbon");
903 BasisList["augmentation-cc-pV5Z-RI"].push_back("nitrogen");
904 BasisList["augmentation-cc-pV5Z-RI"].push_back("oxygen");
905 BasisList["augmentation-cc-pV5Z-RI"].push_back("fluorine");
906 BasisList["augmentation-cc-pV5Z-RI"].push_back("neon");
907 BasisList["augmentation-cc-pV5Z-RI"].push_back("aluminum");
908 BasisList["augmentation-cc-pV5Z-RI"].push_back("silicon");
909 BasisList["augmentation-cc-pV5Z-RI"].push_back("phosphorus");
910 BasisList["augmentation-cc-pV5Z-RI"].push_back("sulfur");
911 BasisList["augmentation-cc-pV5Z-RI"].push_back("chlorine");
912 BasisList["augmentation-cc-pV5Z-RI"].push_back("argon");
913 BasisList["augmentation-cc-pV6Z"].push_back("hydrogen");
914 BasisList["augmentation-cc-pV6Z"].push_back("helium");
915 BasisList["augmentation-cc-pV6Z"].push_back("boron");
916 BasisList["augmentation-cc-pV6Z"].push_back("carbon");
917 BasisList["augmentation-cc-pV6Z"].push_back("nitrogen");
918 BasisList["augmentation-cc-pV6Z"].push_back("oxygen");
919 BasisList["augmentation-cc-pV6Z"].push_back("fluorine");
920 BasisList["augmentation-cc-pV6Z"].push_back("neon");
921 BasisList["augmentation-cc-pV6Z"].push_back("aluminum");
922 BasisList["augmentation-cc-pV6Z"].push_back("silicon");
923 BasisList["augmentation-cc-pV6Z"].push_back("phosphorus");
924 BasisList["augmentation-cc-pV6Z"].push_back("sulfur");
925 BasisList["augmentation-cc-pV6Z"].push_back("chlorine");
926 BasisList["augmentation-cc-pV6Z"].push_back("argon");
927 BasisList["augmentation-cc-pV6Z-RI"].push_back("hydrogen");
928 BasisList["augmentation-cc-pV6Z-RI"].push_back("helium");
929 BasisList["augmentation-cc-pV6Z-RI"].push_back("boron");
930 BasisList["augmentation-cc-pV6Z-RI"].push_back("carbon");
931 BasisList["augmentation-cc-pV6Z-RI"].push_back("nitrogen");
932 BasisList["augmentation-cc-pV6Z-RI"].push_back("oxygen");
933 BasisList["augmentation-cc-pV6Z-RI"].push_back("fluorine");
934 BasisList["augmentation-cc-pV6Z-RI"].push_back("neon");
935 BasisList["augmentation-cc-pV6Z-RI"].push_back("aluminum");
936 BasisList["augmentation-cc-pV6Z-RI"].push_back("silicon");
937 BasisList["augmentation-cc-pV6Z-RI"].push_back("phosphorus");
938 BasisList["augmentation-cc-pV6Z-RI"].push_back("sulfur");
939 BasisList["augmentation-cc-pV6Z-RI"].push_back("chlorine");
940 BasisList["augmentation-cc-pV6Z-RI"].push_back("argon");
941 BasisList["augmentation-cc-pVDZ"].push_back("hydrogen");
942 BasisList["augmentation-cc-pVDZ"].push_back("boron");
943 BasisList["augmentation-cc-pVDZ"].push_back("carbon");
944 BasisList["augmentation-cc-pVDZ"].push_back("nitrogen");
945 BasisList["augmentation-cc-pVDZ"].push_back("oxygen");
946 BasisList["augmentation-cc-pVDZ"].push_back("fluorine");
947 BasisList["augmentation-cc-pVDZ"].push_back("neon");
948 BasisList["augmentation-cc-pVDZ"].push_back("aluminum");
949 BasisList["augmentation-cc-pVDZ"].push_back("silicon");
950 BasisList["augmentation-cc-pVDZ"].push_back("phosphorus");
951 BasisList["augmentation-cc-pVDZ"].push_back("sulfur");
952 BasisList["augmentation-cc-pVDZ"].push_back("chlorine");
953 BasisList["augmentation-cc-pVDZ"].push_back("argon");
954 BasisList["augmentation-cc-pVDZ"].push_back("gallium");
955 BasisList["augmentation-cc-pVDZ"].push_back("germanium");
956 BasisList["augmentation-cc-pVDZ"].push_back("arsenic");
957 BasisList["augmentation-cc-pVDZ"].push_back("selenium");
958 BasisList["augmentation-cc-pVDZ"].push_back("bromine");
959 BasisList["augmentation-cc-pVDZ"].push_back("krypton");
960 BasisList["augmentation-cc-pVDZ-RI"].push_back("hydrogen");
961 BasisList["augmentation-cc-pVDZ-RI"].push_back("helium");
962 BasisList["augmentation-cc-pVDZ-RI"].push_back("boron");
963 BasisList["augmentation-cc-pVDZ-RI"].push_back("carbon");
964 BasisList["augmentation-cc-pVDZ-RI"].push_back("nitrogen");
965 BasisList["augmentation-cc-pVDZ-RI"].push_back("oxygen");
966 BasisList["augmentation-cc-pVDZ-RI"].push_back("fluorine");
967 BasisList["augmentation-cc-pVDZ-RI"].push_back("neon");
968 BasisList["augmentation-cc-pVDZ-RI"].push_back("aluminum");
969 BasisList["augmentation-cc-pVDZ-RI"].push_back("silicon");
970 BasisList["augmentation-cc-pVDZ-RI"].push_back("phosphorus");
971 BasisList["augmentation-cc-pVDZ-RI"].push_back("sulfur");
972 BasisList["augmentation-cc-pVDZ-RI"].push_back("chlorine");
973 BasisList["augmentation-cc-pVDZ-RI"].push_back("argon");
974 BasisList["augmentation-cc-pVQZ-DK"].push_back("scandium");
975 BasisList["augmentation-cc-pVQZ-DK"].push_back("titanium");
976 BasisList["augmentation-cc-pVQZ-DK"].push_back("vanadium");
977 BasisList["augmentation-cc-pVQZ-DK"].push_back("chromium");
978 BasisList["augmentation-cc-pVQZ-DK"].push_back("manganese");
979 BasisList["augmentation-cc-pVQZ-DK"].push_back("iron");
980 BasisList["augmentation-cc-pVQZ-DK"].push_back("cobalt");
981 BasisList["augmentation-cc-pVQZ-DK"].push_back("nickel");
982 BasisList["augmentation-cc-pVQZ-DK"].push_back("copper");
983 BasisList["augmentation-cc-pVQZ-DK"].push_back("zinc");
984 BasisList["augmentation-cc-pVQZ"].push_back("hydrogen");
985 BasisList["augmentation-cc-pVQZ"].push_back("boron");
986 BasisList["augmentation-cc-pVQZ"].push_back("carbon");
987 BasisList["augmentation-cc-pVQZ"].push_back("nitrogen");
988 BasisList["augmentation-cc-pVQZ"].push_back("oxygen");
989 BasisList["augmentation-cc-pVQZ"].push_back("fluorine");
990 BasisList["augmentation-cc-pVQZ"].push_back("neon");
991 BasisList["augmentation-cc-pVQZ"].push_back("aluminum");
992 BasisList["augmentation-cc-pVQZ"].push_back("silicon");
993 BasisList["augmentation-cc-pVQZ"].push_back("phosphorus");
994 BasisList["augmentation-cc-pVQZ"].push_back("sulfur");
995 BasisList["augmentation-cc-pVQZ"].push_back("chlorine");
996 BasisList["augmentation-cc-pVQZ"].push_back("argon");
997 BasisList["augmentation-cc-pVQZ"].push_back("gallium");
998 BasisList["augmentation-cc-pVQZ"].push_back("germanium");
999 BasisList["augmentation-cc-pVQZ"].push_back("arsenic");
1000 BasisList["augmentation-cc-pVQZ"].push_back("selenium");
1001 BasisList["augmentation-cc-pVQZ"].push_back("bromine");
1002 BasisList["augmentation-cc-pVQZ"].push_back("krypton");
1003 BasisList["augmentation-cc-pVQZ"].push_back("scandium");
1004 BasisList["augmentation-cc-pVQZ"].push_back("titanium");
1005 BasisList["augmentation-cc-pVQZ"].push_back("vanadium");
1006 BasisList["augmentation-cc-pVQZ"].push_back("chromium");
1007 BasisList["augmentation-cc-pVQZ"].push_back("manganese");
1008 BasisList["augmentation-cc-pVQZ"].push_back("iron");
1009 BasisList["augmentation-cc-pVQZ"].push_back("cobalt");
1010 BasisList["augmentation-cc-pVQZ"].push_back("nickel");
1011 BasisList["augmentation-cc-pVQZ"].push_back("copper");
1012 BasisList["augmentation-cc-pVQZ"].push_back("zinc");
1013 BasisList["augmentation-cc-pVQZ-RI"].push_back("hydrogen");
1014 BasisList["augmentation-cc-pVQZ-RI"].push_back("helium");
1015 BasisList["augmentation-cc-pVQZ-RI"].push_back("boron");
1016 BasisList["augmentation-cc-pVQZ-RI"].push_back("carbon");
1017 BasisList["augmentation-cc-pVQZ-RI"].push_back("nitrogen");
1018 BasisList["augmentation-cc-pVQZ-RI"].push_back("oxygen");
1019 BasisList["augmentation-cc-pVQZ-RI"].push_back("fluorine");
1020 BasisList["augmentation-cc-pVQZ-RI"].push_back("neon");
1021 BasisList["augmentation-cc-pVQZ-RI"].push_back("aluminum");
1022 BasisList["augmentation-cc-pVQZ-RI"].push_back("silicon");
1023 BasisList["augmentation-cc-pVQZ-RI"].push_back("phosphorus");
1024 BasisList["augmentation-cc-pVQZ-RI"].push_back("sulfur");
1025 BasisList["augmentation-cc-pVQZ-RI"].push_back("chlorine");
1026 BasisList["augmentation-cc-pVQZ-RI"].push_back("argon");
1027 BasisList["augmentation-cc-pVTZ-DK"].push_back("scandium");
1028 BasisList["augmentation-cc-pVTZ-DK"].push_back("titanium");
1029 BasisList["augmentation-cc-pVTZ-DK"].push_back("vanadium");
1030 BasisList["augmentation-cc-pVTZ-DK"].push_back("chromium");
1031 BasisList["augmentation-cc-pVTZ-DK"].push_back("manganese");
1032 BasisList["augmentation-cc-pVTZ-DK"].push_back("iron");
1033 BasisList["augmentation-cc-pVTZ-DK"].push_back("cobalt");
1034 BasisList["augmentation-cc-pVTZ-DK"].push_back("nickel");
1035 BasisList["augmentation-cc-pVTZ-DK"].push_back("copper");
1036 BasisList["augmentation-cc-pVTZ-DK"].push_back("zinc");
1037 BasisList["augmentation-cc-pVTZ"].push_back("hydrogen");
1038 BasisList["augmentation-cc-pVTZ"].push_back("boron");
1039 BasisList["augmentation-cc-pVTZ"].push_back("carbon");
1040 BasisList["augmentation-cc-pVTZ"].push_back("nitrogen");
1041 BasisList["augmentation-cc-pVTZ"].push_back("oxygen");
1042 BasisList["augmentation-cc-pVTZ"].push_back("fluorine");
1043 BasisList["augmentation-cc-pVTZ"].push_back("neon");
1044 BasisList["augmentation-cc-pVTZ"].push_back("aluminum");
1045 BasisList["augmentation-cc-pVTZ"].push_back("silicon");
1046 BasisList["augmentation-cc-pVTZ"].push_back("phosphorus");
1047 BasisList["augmentation-cc-pVTZ"].push_back("sulfur");
1048 BasisList["augmentation-cc-pVTZ"].push_back("chlorine");
1049 BasisList["augmentation-cc-pVTZ"].push_back("argon");
1050 BasisList["augmentation-cc-pVTZ"].push_back("gallium");
1051 BasisList["augmentation-cc-pVTZ"].push_back("germanium");
1052 BasisList["augmentation-cc-pVTZ"].push_back("arsenic");
1053 BasisList["augmentation-cc-pVTZ"].push_back("selenium");
1054 BasisList["augmentation-cc-pVTZ"].push_back("bromine");
1055 BasisList["augmentation-cc-pVTZ"].push_back("krypton");
1056 BasisList["augmentation-cc-pVTZ"].push_back("scandium");
1057 BasisList["augmentation-cc-pVTZ"].push_back("titanium");
1058 BasisList["augmentation-cc-pVTZ"].push_back("vanadium");
1059 BasisList["augmentation-cc-pVTZ"].push_back("chromium");
1060 BasisList["augmentation-cc-pVTZ"].push_back("manganese");
1061 BasisList["augmentation-cc-pVTZ"].push_back("iron");
1062 BasisList["augmentation-cc-pVTZ"].push_back("cobalt");
1063 BasisList["augmentation-cc-pVTZ"].push_back("nickel");
1064 BasisList["augmentation-cc-pVTZ"].push_back("copper");
1065 BasisList["augmentation-cc-pVTZ"].push_back("zinc");
1066 BasisList["augmentation-cc-pVTZ-RI"].push_back("hydrogen");
1067 BasisList["augmentation-cc-pVTZ-RI"].push_back("helium");
1068 BasisList["augmentation-cc-pVTZ-RI"].push_back("boron");
1069 BasisList["augmentation-cc-pVTZ-RI"].push_back("carbon");
1070 BasisList["augmentation-cc-pVTZ-RI"].push_back("nitrogen");
1071 BasisList["augmentation-cc-pVTZ-RI"].push_back("oxygen");
1072 BasisList["augmentation-cc-pVTZ-RI"].push_back("fluorine");
1073 BasisList["augmentation-cc-pVTZ-RI"].push_back("neon");
1074 BasisList["augmentation-cc-pVTZ-RI"].push_back("aluminum");
1075 BasisList["augmentation-cc-pVTZ-RI"].push_back("silicon");
1076 BasisList["augmentation-cc-pVTZ-RI"].push_back("phosphorus");
1077 BasisList["augmentation-cc-pVTZ-RI"].push_back("sulfur");
1078 BasisList["augmentation-cc-pVTZ-RI"].push_back("chlorine");
1079 BasisList["augmentation-cc-pVTZ-RI"].push_back("argon");
1080 BasisList["cc-pCV5Z"].push_back("boron");
1081 BasisList["cc-pCV5Z"].push_back("carbon");
1082 BasisList["cc-pCV5Z"].push_back("nitrogen");
1083 BasisList["cc-pCV5Z"].push_back("oxygen");
1084 BasisList["cc-pCV5Z"].push_back("fluorine");
1085 BasisList["cc-pCV5Z"].push_back("neon");
1086 BasisList["cc-pCVDZ"].push_back("lithium");
1087 BasisList["cc-pCVDZ"].push_back("boron");
1088 BasisList["cc-pCVDZ"].push_back("carbon");
1089 BasisList["cc-pCVDZ"].push_back("nitrogen");
1090 BasisList["cc-pCVDZ"].push_back("oxygen");
1091 BasisList["cc-pCVDZ"].push_back("fluorine");
1092 BasisList["cc-pCVDZ"].push_back("neon");
1093 BasisList["cc-pCVDZ"].push_back("sodium");
1094 BasisList["cc-pCVDZ"].push_back("magnesium");
1095 BasisList["cc-pCVDZ"].push_back("aluminum");
1096 BasisList["cc-pCVDZ"].push_back("silicon");
1097 BasisList["cc-pCVDZ"].push_back("phosphorus");
1098 BasisList["cc-pCVDZ"].push_back("sulfur");
1099 BasisList["cc-pCVDZ"].push_back("chlorine");
1100 BasisList["cc-pCVDZ"].push_back("argon");
1101 BasisList["cc-pCVQZ"].push_back("lithium");
1102 BasisList["cc-pCVQZ"].push_back("boron");
1103 BasisList["cc-pCVQZ"].push_back("carbon");
1104 BasisList["cc-pCVQZ"].push_back("nitrogen");
1105 BasisList["cc-pCVQZ"].push_back("oxygen");
1106 BasisList["cc-pCVQZ"].push_back("fluorine");
1107 BasisList["cc-pCVQZ"].push_back("neon");
1108 BasisList["cc-pCVQZ"].push_back("sodium");
1109 BasisList["cc-pCVQZ"].push_back("magnesium");
1110 BasisList["cc-pCVQZ"].push_back("aluminum");
1111 BasisList["cc-pCVQZ"].push_back("silicon");
1112 BasisList["cc-pCVQZ"].push_back("phosphorus");
1113 BasisList["cc-pCVQZ"].push_back("sulfur");
1114 BasisList["cc-pCVQZ"].push_back("chlorine");
1115 BasisList["cc-pCVQZ"].push_back("argon");
1116 BasisList["cc-pCVTZ"].push_back("lithium");
1117 BasisList["cc-pCVTZ"].push_back("boron");
1118 BasisList["cc-pCVTZ"].push_back("carbon");
1119 BasisList["cc-pCVTZ"].push_back("nitrogen");
1120 BasisList["cc-pCVTZ"].push_back("oxygen");
1121 BasisList["cc-pCVTZ"].push_back("fluorine");
1122 BasisList["cc-pCVTZ"].push_back("neon");
1123 BasisList["cc-pCVTZ"].push_back("sodium");
1124 BasisList["cc-pCVTZ"].push_back("magnesium");
1125 BasisList["cc-pCVTZ"].push_back("aluminum");
1126 BasisList["cc-pCVTZ"].push_back("silicon");
1127 BasisList["cc-pCVTZ"].push_back("phosphorus");
1128 BasisList["cc-pCVTZ"].push_back("sulfur");
1129 BasisList["cc-pCVTZ"].push_back("chlorine");
1130 BasisList["cc-pCVTZ"].push_back("argon");
1131 BasisList["cc-pV5Z-DK"].push_back("hydrogen");
1132 BasisList["cc-pV5Z-DK"].push_back("helium");
1133 BasisList["cc-pV5Z-DK"].push_back("lithium");
1134 BasisList["cc-pV5Z-DK"].push_back("beryllium");
1135 BasisList["cc-pV5Z-DK"].push_back("boron");
1136 BasisList["cc-pV5Z-DK"].push_back("carbon");
1137 BasisList["cc-pV5Z-DK"].push_back("nitrogen");
1138 BasisList["cc-pV5Z-DK"].push_back("oxygen");
1139 BasisList["cc-pV5Z-DK"].push_back("fluorine");
1140 BasisList["cc-pV5Z-DK"].push_back("neon");
1141 BasisList["cc-pV5Z-DK"].push_back("aluminum");
1142 BasisList["cc-pV5Z-DK"].push_back("silicon");
1143 BasisList["cc-pV5Z-DK"].push_back("phosphorus");
1144 BasisList["cc-pV5Z-DK"].push_back("sulfur");
1145 BasisList["cc-pV5Z-DK"].push_back("chlorine");
1146 BasisList["cc-pV5Z-DK"].push_back("argon");
1147 BasisList["cc-pV5Z-DK"].push_back("gallium");
1148 BasisList["cc-pV5Z-DK"].push_back("germanium");
1149 BasisList["cc-pV5Z-DK"].push_back("arsenic");
1150 BasisList["cc-pV5Z-DK"].push_back("selenium");
1151 BasisList["cc-pV5Z-DK"].push_back("bromine");
1152 BasisList["cc-pV5Z-DK"].push_back("krypton");
1153 BasisList["cc-pV5Z-DK"].push_back("scandium");
1154 BasisList["cc-pV5Z-DK"].push_back("titanium");
1155 BasisList["cc-pV5Z-DK"].push_back("vanadium");
1156 BasisList["cc-pV5Z-DK"].push_back("chromium");
1157 BasisList["cc-pV5Z-DK"].push_back("manganese");
1158 BasisList["cc-pV5Z-DK"].push_back("iron");
1159 BasisList["cc-pV5Z-DK"].push_back("cobalt");
1160 BasisList["cc-pV5Z-DK"].push_back("nickel");
1161 BasisList["cc-pV5Z-DK"].push_back("copper");
1162 BasisList["cc-pV5Z-DK"].push_back("zinc");
1163 BasisList["cc-pV5Z"].push_back("hydrogen");
1164 BasisList["cc-pV5Z"].push_back("helium");
1165 BasisList["cc-pV5Z"].push_back("lithium");
1166 BasisList["cc-pV5Z"].push_back("beryllium");
1167 BasisList["cc-pV5Z"].push_back("boron");
1168 BasisList["cc-pV5Z"].push_back("carbon");
1169 BasisList["cc-pV5Z"].push_back("nitrogen");
1170 BasisList["cc-pV5Z"].push_back("oxygen");
1171 BasisList["cc-pV5Z"].push_back("fluorine");
1172 BasisList["cc-pV5Z"].push_back("neon");
1173 BasisList["cc-pV5Z"].push_back("sodium");
1174 BasisList["cc-pV5Z"].push_back("magnesium");
1175 BasisList["cc-pV5Z"].push_back("aluminum");
1176 BasisList["cc-pV5Z"].push_back("silicon");
1177 BasisList["cc-pV5Z"].push_back("phosphorus");
1178 BasisList["cc-pV5Z"].push_back("sulfur");
1179 BasisList["cc-pV5Z"].push_back("chlorine");
1180 BasisList["cc-pV5Z"].push_back("argon");
1181 BasisList["cc-pV5Z"].push_back("calcium");
1182 BasisList["cc-pV5Z"].push_back("gallium");
1183 BasisList["cc-pV5Z"].push_back("germanium");
1184 BasisList["cc-pV5Z"].push_back("arsenic");
1185 BasisList["cc-pV5Z"].push_back("selenium");
1186 BasisList["cc-pV5Z"].push_back("bromine");
1187 BasisList["cc-pV5Z"].push_back("krypton");
1188 BasisList["cc-pV5Z"].push_back("scandium");
1189 BasisList["cc-pV5Z"].push_back("titanium");
1190 BasisList["cc-pV5Z"].push_back("vanadium");
1191 BasisList["cc-pV5Z"].push_back("chromium");
1192 BasisList["cc-pV5Z"].push_back("manganese");
1193 BasisList["cc-pV5Z"].push_back("iron");
1194 BasisList["cc-pV5Z"].push_back("cobalt");
1195 BasisList["cc-pV5Z"].push_back("nickel");
1196 BasisList["cc-pV5Z"].push_back("copper");
1197 BasisList["cc-pV5Z"].push_back("zinc");
1198 BasisList["cc-pV5Z-RI"].push_back("hydrogen");
1199 BasisList["cc-pV5Z-RI"].push_back("helium");
1200 BasisList["cc-pV5Z-RI"].push_back("lithium");
1201 BasisList["cc-pV5Z-RI"].push_back("beryllium");
1202 BasisList["cc-pV5Z-RI"].push_back("boron");
1203 BasisList["cc-pV5Z-RI"].push_back("carbon");
1204 BasisList["cc-pV5Z-RI"].push_back("nitrogen");
1205 BasisList["cc-pV5Z-RI"].push_back("oxygen");
1206 BasisList["cc-pV5Z-RI"].push_back("fluorine");
1207 BasisList["cc-pV5Z-RI"].push_back("neon");
1208 BasisList["cc-pV5Z-RI"].push_back("sodium");
1209 BasisList["cc-pV5Z-RI"].push_back("magnesium");
1210 BasisList["cc-pV5Z-RI"].push_back("aluminum");
1211 BasisList["cc-pV5Z-RI"].push_back("silicon");
1212 BasisList["cc-pV5Z-RI"].push_back("phosphorus");
1213 BasisList["cc-pV5Z-RI"].push_back("sulfur");
1214 BasisList["cc-pV5Z-RI"].push_back("chlorine");
1215 BasisList["cc-pV5Z-RI"].push_back("argon");
1216 BasisList["cc-pV6Z"].push_back("hydrogen");
1217 BasisList["cc-pV6Z"].push_back("helium");
1218 BasisList["cc-pV6Z"].push_back("boron");
1219 BasisList["cc-pV6Z"].push_back("carbon");
1220 BasisList["cc-pV6Z"].push_back("nitrogen");
1221 BasisList["cc-pV6Z"].push_back("oxygen");
1222 BasisList["cc-pV6Z"].push_back("fluorine");
1223 BasisList["cc-pV6Z"].push_back("neon");
1224 BasisList["cc-pV6Z"].push_back("aluminum");
1225 BasisList["cc-pV6Z"].push_back("silicon");
1226 BasisList["cc-pV6Z"].push_back("phosphorus");
1227 BasisList["cc-pV6Z"].push_back("sulfur");
1228 BasisList["cc-pV6Z"].push_back("chlorine");
1229 BasisList["cc-pV6Z"].push_back("argon");
1230 BasisList["cc-pV6Z-RI"].push_back("hydrogen");
1231 BasisList["cc-pV6Z-RI"].push_back("helium");
1232 BasisList["cc-pV6Z-RI"].push_back("lithium");
1233 BasisList["cc-pV6Z-RI"].push_back("beryllium");
1234 BasisList["cc-pV6Z-RI"].push_back("boron");
1235 BasisList["cc-pV6Z-RI"].push_back("carbon");
1236 BasisList["cc-pV6Z-RI"].push_back("nitrogen");
1237 BasisList["cc-pV6Z-RI"].push_back("oxygen");
1238 BasisList["cc-pV6Z-RI"].push_back("fluorine");
1239 BasisList["cc-pV6Z-RI"].push_back("neon");
1240 BasisList["cc-pV6Z-RI"].push_back("sodium");
1241 BasisList["cc-pV6Z-RI"].push_back("magnesium");
1242 BasisList["cc-pV6Z-RI"].push_back("aluminum");
1243 BasisList["cc-pV6Z-RI"].push_back("silicon");
1244 BasisList["cc-pV6Z-RI"].push_back("phosphorus");
1245 BasisList["cc-pV6Z-RI"].push_back("sulfur");
1246 BasisList["cc-pV6Z-RI"].push_back("chlorine");
1247 BasisList["cc-pV6Z-RI"].push_back("argon");
1248 BasisList["cc-pVDZ-DK"].push_back("hydrogen");
1249 BasisList["cc-pVDZ-DK"].push_back("helium");
1250 BasisList["cc-pVDZ-DK"].push_back("boron");
1251 BasisList["cc-pVDZ-DK"].push_back("carbon");
1252 BasisList["cc-pVDZ-DK"].push_back("nitrogen");
1253 BasisList["cc-pVDZ-DK"].push_back("oxygen");
1254 BasisList["cc-pVDZ-DK"].push_back("fluorine");
1255 BasisList["cc-pVDZ-DK"].push_back("neon");
1256 BasisList["cc-pVDZ-DK"].push_back("aluminum");
1257 BasisList["cc-pVDZ-DK"].push_back("silicon");
1258 BasisList["cc-pVDZ-DK"].push_back("phosphorus");
1259 BasisList["cc-pVDZ-DK"].push_back("sulfur");
1260 BasisList["cc-pVDZ-DK"].push_back("chlorine");
1261 BasisList["cc-pVDZ-DK"].push_back("argon");
1262 BasisList["cc-pVDZ-DK"].push_back("gallium");
1263 BasisList["cc-pVDZ-DK"].push_back("germanium");
1264 BasisList["cc-pVDZ-DK"].push_back("arsenic");
1265 BasisList["cc-pVDZ-DK"].push_back("selenium");
1266 BasisList["cc-pVDZ-DK"].push_back("bromine");
1267 BasisList["cc-pVDZ-DK"].push_back("krypton");
1268 BasisList["cc-pVDZ"].push_back("hydrogen");
1269 BasisList["cc-pVDZ"].push_back("helium");
1270 BasisList["cc-pVDZ"].push_back("lithium");
1271 BasisList["cc-pVDZ"].push_back("beryllium");
1272 BasisList["cc-pVDZ"].push_back("boron");
1273 BasisList["cc-pVDZ"].push_back("carbon");
1274 BasisList["cc-pVDZ"].push_back("nitrogen");
1275 BasisList["cc-pVDZ"].push_back("oxygen");
1276 BasisList["cc-pVDZ"].push_back("fluorine");
1277 BasisList["cc-pVDZ"].push_back("neon");
1278 BasisList["cc-pVDZ"].push_back("sodium");
1279 BasisList["cc-pVDZ"].push_back("magnesium");
1280 BasisList["cc-pVDZ"].push_back("aluminum");
1281 BasisList["cc-pVDZ"].push_back("silicon");
1282 BasisList["cc-pVDZ"].push_back("phosphorus");
1283 BasisList["cc-pVDZ"].push_back("sulfur");
1284 BasisList["cc-pVDZ"].push_back("chlorine");
1285 BasisList["cc-pVDZ"].push_back("argon");
1286 BasisList["cc-pVDZ"].push_back("calcium");
1287 BasisList["cc-pVDZ"].push_back("gallium");
1288 BasisList["cc-pVDZ"].push_back("germanium");
1289 BasisList["cc-pVDZ"].push_back("arsenic");
1290 BasisList["cc-pVDZ"].push_back("selenium");
1291 BasisList["cc-pVDZ"].push_back("bromine");
1292 BasisList["cc-pVDZ"].push_back("krypton");
1293 BasisList["cc-pVDZ-RI"].push_back("hydrogen");
1294 BasisList["cc-pVDZ-RI"].push_back("helium");
1295 BasisList["cc-pVDZ-RI"].push_back("lithium");
1296 BasisList["cc-pVDZ-RI"].push_back("beryllium");
1297 BasisList["cc-pVDZ-RI"].push_back("boron");
1298 BasisList["cc-pVDZ-RI"].push_back("carbon");
1299 BasisList["cc-pVDZ-RI"].push_back("nitrogen");
1300 BasisList["cc-pVDZ-RI"].push_back("oxygen");
1301 BasisList["cc-pVDZ-RI"].push_back("fluorine");
1302 BasisList["cc-pVDZ-RI"].push_back("neon");
1303 BasisList["cc-pVDZ-RI"].push_back("sodium");
1304 BasisList["cc-pVDZ-RI"].push_back("magnesium");
1305 BasisList["cc-pVDZ-RI"].push_back("aluminum");
1306 BasisList["cc-pVDZ-RI"].push_back("silicon");
1307 BasisList["cc-pVDZ-RI"].push_back("phosphorus");
1308 BasisList["cc-pVDZ-RI"].push_back("sulfur");
1309 BasisList["cc-pVDZ-RI"].push_back("chlorine");
1310 BasisList["cc-pVDZ-RI"].push_back("argon");
1311 BasisList["cc-pVQZ-DK"].push_back("hydrogen");
1312 BasisList["cc-pVQZ-DK"].push_back("helium");
1313 BasisList["cc-pVQZ-DK"].push_back("boron");
1314 BasisList["cc-pVQZ-DK"].push_back("carbon");
1315 BasisList["cc-pVQZ-DK"].push_back("nitrogen");
1316 BasisList["cc-pVQZ-DK"].push_back("oxygen");
1317 BasisList["cc-pVQZ-DK"].push_back("fluorine");
1318 BasisList["cc-pVQZ-DK"].push_back("neon");
1319 BasisList["cc-pVQZ-DK"].push_back("aluminum");
1320 BasisList["cc-pVQZ-DK"].push_back("silicon");
1321 BasisList["cc-pVQZ-DK"].push_back("phosphorus");
1322 BasisList["cc-pVQZ-DK"].push_back("sulfur");
1323 BasisList["cc-pVQZ-DK"].push_back("chlorine");
1324 BasisList["cc-pVQZ-DK"].push_back("argon");
1325 BasisList["cc-pVQZ-DK"].push_back("gallium");
1326 BasisList["cc-pVQZ-DK"].push_back("germanium");
1327 BasisList["cc-pVQZ-DK"].push_back("arsenic");
1328 BasisList["cc-pVQZ-DK"].push_back("selenium");
1329 BasisList["cc-pVQZ-DK"].push_back("bromine");
1330 BasisList["cc-pVQZ-DK"].push_back("krypton");
1331 BasisList["cc-pVQZ-DK"].push_back("scandium");
1332 BasisList["cc-pVQZ-DK"].push_back("titanium");
1333 BasisList["cc-pVQZ-DK"].push_back("vanadium");
1334 BasisList["cc-pVQZ-DK"].push_back("chromium");
1335 BasisList["cc-pVQZ-DK"].push_back("manganese");
1336 BasisList["cc-pVQZ-DK"].push_back("iron");
1337 BasisList["cc-pVQZ-DK"].push_back("cobalt");
1338 BasisList["cc-pVQZ-DK"].push_back("nickel");
1339 BasisList["cc-pVQZ-DK"].push_back("copper");
1340 BasisList["cc-pVQZ-DK"].push_back("zinc");
1341 BasisList["cc-pVQZ"].push_back("hydrogen");
1342 BasisList["cc-pVQZ"].push_back("helium");
1343 BasisList["cc-pVQZ"].push_back("lithium");
1344 BasisList["cc-pVQZ"].push_back("beryllium");
1345 BasisList["cc-pVQZ"].push_back("boron");
1346 BasisList["cc-pVQZ"].push_back("carbon");
1347 BasisList["cc-pVQZ"].push_back("nitrogen");
1348 BasisList["cc-pVQZ"].push_back("oxygen");
1349 BasisList["cc-pVQZ"].push_back("fluorine");
1350 BasisList["cc-pVQZ"].push_back("neon");
1351 BasisList["cc-pVQZ"].push_back("sodium");
1352 BasisList["cc-pVQZ"].push_back("magnesium");
1353 BasisList["cc-pVQZ"].push_back("aluminum");
1354 BasisList["cc-pVQZ"].push_back("silicon");
1355 BasisList["cc-pVQZ"].push_back("phosphorus");
1356 BasisList["cc-pVQZ"].push_back("sulfur");
1357 BasisList["cc-pVQZ"].push_back("chlorine");
1358 BasisList["cc-pVQZ"].push_back("argon");
1359 BasisList["cc-pVQZ"].push_back("calcium");
1360 BasisList["cc-pVQZ"].push_back("gallium");
1361 BasisList["cc-pVQZ"].push_back("germanium");
1362 BasisList["cc-pVQZ"].push_back("arsenic");
1363 BasisList["cc-pVQZ"].push_back("selenium");
1364 BasisList["cc-pVQZ"].push_back("bromine");
1365 BasisList["cc-pVQZ"].push_back("krypton");
1366 BasisList["cc-pVQZ"].push_back("scandium");
1367 BasisList["cc-pVQZ"].push_back("titanium");
1368 BasisList["cc-pVQZ"].push_back("vanadium");
1369 BasisList["cc-pVQZ"].push_back("chromium");
1370 BasisList["cc-pVQZ"].push_back("manganese");
1371 BasisList["cc-pVQZ"].push_back("iron");
1372 BasisList["cc-pVQZ"].push_back("cobalt");
1373 BasisList["cc-pVQZ"].push_back("nickel");
1374 BasisList["cc-pVQZ"].push_back("copper");
1375 BasisList["cc-pVQZ"].push_back("zinc");
1376 BasisList["cc-pVQZ-RI"].push_back("hydrogen");
1377 BasisList["cc-pVQZ-RI"].push_back("helium");
1378 BasisList["cc-pVQZ-RI"].push_back("lithium");
1379 BasisList["cc-pVQZ-RI"].push_back("beryllium");
1380 BasisList["cc-pVQZ-RI"].push_back("boron");
1381 BasisList["cc-pVQZ-RI"].push_back("carbon");
1382 BasisList["cc-pVQZ-RI"].push_back("nitrogen");
1383 BasisList["cc-pVQZ-RI"].push_back("oxygen");
1384 BasisList["cc-pVQZ-RI"].push_back("fluorine");
1385 BasisList["cc-pVQZ-RI"].push_back("neon");
1386 BasisList["cc-pVQZ-RI"].push_back("sodium");
1387 BasisList["cc-pVQZ-RI"].push_back("magnesium");
1388 BasisList["cc-pVQZ-RI"].push_back("aluminum");
1389 BasisList["cc-pVQZ-RI"].push_back("silicon");
1390 BasisList["cc-pVQZ-RI"].push_back("phosphorus");
1391 BasisList["cc-pVQZ-RI"].push_back("sulfur");
1392 BasisList["cc-pVQZ-RI"].push_back("chlorine");
1393 BasisList["cc-pVQZ-RI"].push_back("argon");
1394 BasisList["cc-pVTZ-DK"].push_back("hydrogen");
1395 BasisList["cc-pVTZ-DK"].push_back("helium");
1396 BasisList["cc-pVTZ-DK"].push_back("boron");
1397 BasisList["cc-pVTZ-DK"].push_back("carbon");
1398 BasisList["cc-pVTZ-DK"].push_back("nitrogen");
1399 BasisList["cc-pVTZ-DK"].push_back("oxygen");
1400 BasisList["cc-pVTZ-DK"].push_back("fluorine");
1401 BasisList["cc-pVTZ-DK"].push_back("neon");
1402 BasisList["cc-pVTZ-DK"].push_back("aluminum");
1403 BasisList["cc-pVTZ-DK"].push_back("silicon");
1404 BasisList["cc-pVTZ-DK"].push_back("phosphorus");
1405 BasisList["cc-pVTZ-DK"].push_back("sulfur");
1406 BasisList["cc-pVTZ-DK"].push_back("chlorine");
1407 BasisList["cc-pVTZ-DK"].push_back("argon");
1408 BasisList["cc-pVTZ-DK"].push_back("gallium");
1409 BasisList["cc-pVTZ-DK"].push_back("germanium");
1410 BasisList["cc-pVTZ-DK"].push_back("arsenic");
1411 BasisList["cc-pVTZ-DK"].push_back("selenium");
1412 BasisList["cc-pVTZ-DK"].push_back("bromine");
1413 BasisList["cc-pVTZ-DK"].push_back("krypton");
1414 BasisList["cc-pVTZ-DK"].push_back("scandium");
1415 BasisList["cc-pVTZ-DK"].push_back("titanium");
1416 BasisList["cc-pVTZ-DK"].push_back("vanadium");
1417 BasisList["cc-pVTZ-DK"].push_back("chromium");
1418 BasisList["cc-pVTZ-DK"].push_back("manganese");
1419 BasisList["cc-pVTZ-DK"].push_back("iron");
1420 BasisList["cc-pVTZ-DK"].push_back("cobalt");
1421 BasisList["cc-pVTZ-DK"].push_back("nickel");
1422 BasisList["cc-pVTZ-DK"].push_back("copper");
1423 BasisList["cc-pVTZ-DK"].push_back("zinc");
1424 BasisList["cc-pVTZ"].push_back("hydrogen");
1425 BasisList["cc-pVTZ"].push_back("helium");
1426 BasisList["cc-pVTZ"].push_back("lithium");
1427 BasisList["cc-pVTZ"].push_back("beryllium");
1428 BasisList["cc-pVTZ"].push_back("boron");
1429 BasisList["cc-pVTZ"].push_back("carbon");
1430 BasisList["cc-pVTZ"].push_back("nitrogen");
1431 BasisList["cc-pVTZ"].push_back("oxygen");
1432 BasisList["cc-pVTZ"].push_back("fluorine");
1433 BasisList["cc-pVTZ"].push_back("neon");
1434 BasisList["cc-pVTZ"].push_back("sodium");
1435 BasisList["cc-pVTZ"].push_back("magnesium");
1436 BasisList["cc-pVTZ"].push_back("aluminum");
1437 BasisList["cc-pVTZ"].push_back("silicon");
1438 BasisList["cc-pVTZ"].push_back("phosphorus");
1439 BasisList["cc-pVTZ"].push_back("sulfur");
1440 BasisList["cc-pVTZ"].push_back("chlorine");
1441 BasisList["cc-pVTZ"].push_back("argon");
1442 BasisList["cc-pVTZ"].push_back("calcium");
1443 BasisList["cc-pVTZ"].push_back("gallium");
1444 BasisList["cc-pVTZ"].push_back("germanium");
1445 BasisList["cc-pVTZ"].push_back("arsenic");
1446 BasisList["cc-pVTZ"].push_back("selenium");
1447 BasisList["cc-pVTZ"].push_back("bromine");
1448 BasisList["cc-pVTZ"].push_back("krypton");
1449 BasisList["cc-pVTZ"].push_back("scandium");
1450 BasisList["cc-pVTZ"].push_back("titanium");
1451 BasisList["cc-pVTZ"].push_back("vanadium");
1452 BasisList["cc-pVTZ"].push_back("chromium");
1453 BasisList["cc-pVTZ"].push_back("manganese");
1454 BasisList["cc-pVTZ"].push_back("iron");
1455 BasisList["cc-pVTZ"].push_back("cobalt");
1456 BasisList["cc-pVTZ"].push_back("nickel");
1457 BasisList["cc-pVTZ"].push_back("copper");
1458 BasisList["cc-pVTZ"].push_back("zinc");
1459 BasisList["cc-pVTZ-RI"].push_back("hydrogen");
1460 BasisList["cc-pVTZ-RI"].push_back("helium");
1461 BasisList["cc-pVTZ-RI"].push_back("lithium");
1462 BasisList["cc-pVTZ-RI"].push_back("beryllium");
1463 BasisList["cc-pVTZ-RI"].push_back("boron");
1464 BasisList["cc-pVTZ-RI"].push_back("carbon");
1465 BasisList["cc-pVTZ-RI"].push_back("nitrogen");
1466 BasisList["cc-pVTZ-RI"].push_back("oxygen");
1467 BasisList["cc-pVTZ-RI"].push_back("fluorine");
1468 BasisList["cc-pVTZ-RI"].push_back("neon");
1469 BasisList["cc-pVTZ-RI"].push_back("sodium");
1470 BasisList["cc-pVTZ-RI"].push_back("magnesium");
1471 BasisList["cc-pVTZ-RI"].push_back("aluminum");
1472 BasisList["cc-pVTZ-RI"].push_back("silicon");
1473 BasisList["cc-pVTZ-RI"].push_back("phosphorus");
1474 BasisList["cc-pVTZ-RI"].push_back("sulfur");
1475 BasisList["cc-pVTZ-RI"].push_back("chlorine");
1476 BasisList["cc-pVTZ-RI"].push_back("argon");
1477 BasisList["cc-pwCV5Z-DK"].push_back("scandium");
1478 BasisList["cc-pwCV5Z-DK"].push_back("titanium");
1479 BasisList["cc-pwCV5Z-DK"].push_back("vanadium");
1480 BasisList["cc-pwCV5Z-DK"].push_back("chromium");
1481 BasisList["cc-pwCV5Z-DK"].push_back("manganese");
1482 BasisList["cc-pwCV5Z-DK"].push_back("iron");
1483 BasisList["cc-pwCV5Z-DK"].push_back("cobalt");
1484 BasisList["cc-pwCV5Z-DK"].push_back("nickel");
1485 BasisList["cc-pwCV5Z-DK"].push_back("copper");
1486 BasisList["cc-pwCV5Z-DK"].push_back("zinc");
1487 BasisList["cc-pwCV5Z"].push_back("scandium");
1488 BasisList["cc-pwCV5Z"].push_back("titanium");
1489 BasisList["cc-pwCV5Z"].push_back("vanadium");
1490 BasisList["cc-pwCV5Z"].push_back("chromium");
1491 BasisList["cc-pwCV5Z"].push_back("manganese");
1492 BasisList["cc-pwCV5Z"].push_back("iron");
1493 BasisList["cc-pwCV5Z"].push_back("cobalt");
1494 BasisList["cc-pwCV5Z"].push_back("nickel");
1495 BasisList["cc-pwCV5Z"].push_back("copper");
1496 BasisList["cc-pwCV5Z"].push_back("zinc");
1497 BasisList["cc-pwCVQZ-DK"].push_back("scandium");
1498 BasisList["cc-pwCVQZ-DK"].push_back("titanium");
1499 BasisList["cc-pwCVQZ-DK"].push_back("vanadium");
1500 BasisList["cc-pwCVQZ-DK"].push_back("chromium");
1501 BasisList["cc-pwCVQZ-DK"].push_back("manganese");
1502 BasisList["cc-pwCVQZ-DK"].push_back("iron");
1503 BasisList["cc-pwCVQZ-DK"].push_back("cobalt");
1504 BasisList["cc-pwCVQZ-DK"].push_back("nickel");
1505 BasisList["cc-pwCVQZ-DK"].push_back("copper");
1506 BasisList["cc-pwCVQZ-DK"].push_back("zinc");
1507 BasisList["cc-pwCVQZ"].push_back("scandium");
1508 BasisList["cc-pwCVQZ"].push_back("titanium");
1509 BasisList["cc-pwCVQZ"].push_back("vanadium");
1510 BasisList["cc-pwCVQZ"].push_back("chromium");
1511 BasisList["cc-pwCVQZ"].push_back("manganese");
1512 BasisList["cc-pwCVQZ"].push_back("iron");
1513 BasisList["cc-pwCVQZ"].push_back("cobalt");
1514 BasisList["cc-pwCVQZ"].push_back("nickel");
1515 BasisList["cc-pwCVQZ"].push_back("copper");
1516 BasisList["cc-pwCVQZ"].push_back("zinc");
1517 BasisList["cc-pwCVTZ-DK"].push_back("scandium");
1518 BasisList["cc-pwCVTZ-DK"].push_back("titanium");
1519 BasisList["cc-pwCVTZ-DK"].push_back("vanadium");
1520 BasisList["cc-pwCVTZ-DK"].push_back("chromium");
1521 BasisList["cc-pwCVTZ-DK"].push_back("manganese");
1522 BasisList["cc-pwCVTZ-DK"].push_back("iron");
1523 BasisList["cc-pwCVTZ-DK"].push_back("cobalt");
1524 BasisList["cc-pwCVTZ-DK"].push_back("nickel");
1525 BasisList["cc-pwCVTZ-DK"].push_back("copper");
1526 BasisList["cc-pwCVTZ-DK"].push_back("zinc");
1527 BasisList["cc-pwCVTZ"].push_back("scandium");
1528 BasisList["cc-pwCVTZ"].push_back("titanium");
1529 BasisList["cc-pwCVTZ"].push_back("vanadium");
1530 BasisList["cc-pwCVTZ"].push_back("chromium");
1531 BasisList["cc-pwCVTZ"].push_back("manganese");
1532 BasisList["cc-pwCVTZ"].push_back("iron");
1533 BasisList["cc-pwCVTZ"].push_back("cobalt");
1534 BasisList["cc-pwCVTZ"].push_back("nickel");
1535 BasisList["cc-pwCVTZ"].push_back("copper");
1536 BasisList["cc-pwCVTZ"].push_back("zinc");
1537 BasisList["DZ(Dunning)"].push_back("hydrogen");
1538 BasisList["DZ(Dunning)"].push_back("lithium");
1539 BasisList["DZ(Dunning)"].push_back("boron");
1540 BasisList["DZ(Dunning)"].push_back("carbon");
1541 BasisList["DZ(Dunning)"].push_back("nitrogen");
1542 BasisList["DZ(Dunning)"].push_back("oxygen");
1543 BasisList["DZ(Dunning)"].push_back("fluorine");
1544 BasisList["DZ(Dunning)"].push_back("neon");
1545 BasisList["DZ(Dunning)"].push_back("aluminum");
1546 BasisList["DZ(Dunning)"].push_back("silicon");
1547 BasisList["DZ(Dunning)"].push_back("phosphorus");
1548 BasisList["DZ(Dunning)"].push_back("sulfur");
1549 BasisList["DZ(Dunning)"].push_back("chlorine");
1550 BasisList["DZP(Dunning)"].push_back("hydrogen");
1551 BasisList["DZP(Dunning)"].push_back("lithium");
1552 BasisList["DZP(Dunning)"].push_back("boron");
1553 BasisList["DZP(Dunning)"].push_back("carbon");
1554 BasisList["DZP(Dunning)"].push_back("nitrogen");
1555 BasisList["DZP(Dunning)"].push_back("oxygen");
1556 BasisList["DZP(Dunning)"].push_back("fluorine");
1557 BasisList["DZP(Dunning)"].push_back("neon");
1558 BasisList["DZP(Dunning)"].push_back("aluminum");
1559 BasisList["DZP(Dunning)"].push_back("silicon");
1560 BasisList["DZP(Dunning)"].push_back("phosphorus");
1561 BasisList["DZP(Dunning)"].push_back("sulfur");
1562 BasisList["DZP(Dunning)"].push_back("chlorine");
1563 BasisList["DZP+Diffuse(Dunning)"].push_back("hydrogen");
1564 BasisList["DZP+Diffuse(Dunning)"].push_back("boron");
1565 BasisList["DZP+Diffuse(Dunning)"].push_back("carbon");
1566 BasisList["DZP+Diffuse(Dunning)"].push_back("nitrogen");
1567 BasisList["DZP+Diffuse(Dunning)"].push_back("oxygen");
1568 BasisList["DZP+Diffuse(Dunning)"].push_back("fluorine");
1569 BasisList["DZP+Diffuse(Dunning)"].push_back("neon");
1570 BasisList["MIDI(Huzinaga)"].push_back("hydrogen");
1571 BasisList["MIDI(Huzinaga)"].push_back("helium");
1572 BasisList["MIDI(Huzinaga)"].push_back("lithium");
1573 BasisList["MIDI(Huzinaga)"].push_back("beryllium");
1574 BasisList["MIDI(Huzinaga)"].push_back("boron");
1575 BasisList["MIDI(Huzinaga)"].push_back("carbon");
1576 BasisList["MIDI(Huzinaga)"].push_back("nitrogen");
1577 BasisList["MIDI(Huzinaga)"].push_back("oxygen");
1578 BasisList["MIDI(Huzinaga)"].push_back("fluorine");
1579 BasisList["MIDI(Huzinaga)"].push_back("neon");
1580 BasisList["MIDI(Huzinaga)"].push_back("sodium");
1581 BasisList["MIDI(Huzinaga)"].push_back("aluminum");
1582 BasisList["MIDI(Huzinaga)"].push_back("silicon");
1583 BasisList["MIDI(Huzinaga)"].push_back("phosphorus");
1584 BasisList["MIDI(Huzinaga)"].push_back("sulfur");
1585 BasisList["MIDI(Huzinaga)"].push_back("chlorine");
1586 BasisList["MIDI(Huzinaga)"].push_back("argon");
1587 BasisList["MIDI(Huzinaga)"].push_back("potassium");
1588 BasisList["MINI(Huzinaga)"].push_back("hydrogen");
1589 BasisList["MINI(Huzinaga)"].push_back("helium");
1590 BasisList["MINI(Huzinaga)"].push_back("lithium");
1591 BasisList["MINI(Huzinaga)"].push_back("beryllium");
1592 BasisList["MINI(Huzinaga)"].push_back("boron");
1593 BasisList["MINI(Huzinaga)"].push_back("carbon");
1594 BasisList["MINI(Huzinaga)"].push_back("nitrogen");
1595 BasisList["MINI(Huzinaga)"].push_back("oxygen");
1596 BasisList["MINI(Huzinaga)"].push_back("fluorine");
1597 BasisList["MINI(Huzinaga)"].push_back("neon");
1598 BasisList["MINI(Huzinaga)"].push_back("sodium");
1599 BasisList["MINI(Huzinaga)"].push_back("magnesium");
1600 BasisList["MINI(Huzinaga)"].push_back("aluminum");
1601 BasisList["MINI(Huzinaga)"].push_back("silicon");
1602 BasisList["MINI(Huzinaga)"].push_back("phosphorus");
1603 BasisList["MINI(Huzinaga)"].push_back("sulfur");
1604 BasisList["MINI(Huzinaga)"].push_back("chlorine");
1605 BasisList["MINI(Huzinaga)"].push_back("argon");
1606 BasisList["MINI(Huzinaga)"].push_back("potassium");
1607 BasisList["MINI(Huzinaga)"].push_back("calcium");
1608 BasisList["MINI(Scaled)"].push_back("hydrogen");
1609 BasisList["MINI(Scaled)"].push_back("helium");
1610 BasisList["MINI(Scaled)"].push_back("lithium");
1611 BasisList["MINI(Scaled)"].push_back("beryllium");
1612 BasisList["MINI(Scaled)"].push_back("boron");
1613 BasisList["MINI(Scaled)"].push_back("carbon");
1614 BasisList["MINI(Scaled)"].push_back("nitrogen");
1615 BasisList["MINI(Scaled)"].push_back("oxygen");
1616 BasisList["MINI(Scaled)"].push_back("fluorine");
1617 BasisList["MINI(Scaled)"].push_back("neon");
1618 BasisList["MINI(Scaled)"].push_back("sodium");
1619 BasisList["MINI(Scaled)"].push_back("magnesium");
1620 BasisList["MINI(Scaled)"].push_back("aluminum");
1621 BasisList["MINI(Scaled)"].push_back("silicon");
1622 BasisList["MINI(Scaled)"].push_back("phosphorus");
1623 BasisList["MINI(Scaled)"].push_back("sulfur");
1624 BasisList["MINI(Scaled)"].push_back("chlorine");
1625 BasisList["MINI(Scaled)"].push_back("argon");
1626 BasisList["MINI(Scaled)"].push_back("potassium");
1627 BasisList["MINI(Scaled)"].push_back("calcium");
1628 BasisList["NASAAmesANO"].push_back("hydrogen");
1629 BasisList["NASAAmesANO"].push_back("boron");
1630 BasisList["NASAAmesANO"].push_back("carbon");
1631 BasisList["NASAAmesANO"].push_back("nitrogen");
1632 BasisList["NASAAmesANO"].push_back("oxygen");
1633 BasisList["NASAAmesANO"].push_back("fluorine");
1634 BasisList["NASAAmesANO"].push_back("neon");
1635 BasisList["NASAAmesANO"].push_back("aluminum");
1636 BasisList["NASAAmesANO"].push_back("phosphorus");
1637 BasisList["NASAAmesANO"].push_back("titanium");
1638 BasisList["NASAAmesANO"].push_back("iron");
1639 BasisList["NASAAmesANO"].push_back("nickel");
1640 BasisList["pc-0-aug"].push_back("hydrogen");
1641 BasisList["pc-0-aug"].push_back("carbon");
1642 BasisList["pc-0-aug"].push_back("nitrogen");
1643 BasisList["pc-0-aug"].push_back("oxygen");
1644 BasisList["pc-0-aug"].push_back("fluorine");
1645 BasisList["pc-0-aug"].push_back("silicon");
1646 BasisList["pc-0-aug"].push_back("phosphorus");
1647 BasisList["pc-0-aug"].push_back("sulfur");
1648 BasisList["pc-0-aug"].push_back("chlorine");
1649 BasisList["pc-0"].push_back("hydrogen");
1650 BasisList["pc-0"].push_back("carbon");
1651 BasisList["pc-0"].push_back("nitrogen");
1652 BasisList["pc-0"].push_back("oxygen");
1653 BasisList["pc-0"].push_back("fluorine");
1654 BasisList["pc-0"].push_back("silicon");
1655 BasisList["pc-0"].push_back("phosphorus");
1656 BasisList["pc-0"].push_back("sulfur");
1657 BasisList["pc-0"].push_back("chlorine");
1658 BasisList["pc-1-aug"].push_back("hydrogen");
1659 BasisList["pc-1-aug"].push_back("carbon");
1660 BasisList["pc-1-aug"].push_back("nitrogen");
1661 BasisList["pc-1-aug"].push_back("oxygen");
1662 BasisList["pc-1-aug"].push_back("fluorine");
1663 BasisList["pc-1-aug"].push_back("silicon");
1664 BasisList["pc-1-aug"].push_back("phosphorus");
1665 BasisList["pc-1-aug"].push_back("sulfur");
1666 BasisList["pc-1-aug"].push_back("chlorine");
1667 BasisList["pc-1"].push_back("hydrogen");
1668 BasisList["pc-1"].push_back("carbon");
1669 BasisList["pc-1"].push_back("nitrogen");
1670 BasisList["pc-1"].push_back("oxygen");
1671 BasisList["pc-1"].push_back("fluorine");
1672 BasisList["pc-1"].push_back("silicon");
1673 BasisList["pc-1"].push_back("phosphorus");
1674 BasisList["pc-1"].push_back("sulfur");
1675 BasisList["pc-1"].push_back("chlorine");
1676 BasisList["pc-2-aug"].push_back("hydrogen");
1677 BasisList["pc-2-aug"].push_back("carbon");
1678 BasisList["pc-2-aug"].push_back("nitrogen");
1679 BasisList["pc-2-aug"].push_back("oxygen");
1680 BasisList["pc-2-aug"].push_back("fluorine");
1681 BasisList["pc-2-aug"].push_back("silicon");
1682 BasisList["pc-2-aug"].push_back("phosphorus");
1683 BasisList["pc-2-aug"].push_back("sulfur");
1684 BasisList["pc-2-aug"].push_back("chlorine");
1685 BasisList["pc-2"].push_back("hydrogen");
1686 BasisList["pc-2"].push_back("carbon");
1687 BasisList["pc-2"].push_back("nitrogen");
1688 BasisList["pc-2"].push_back("oxygen");
1689 BasisList["pc-2"].push_back("fluorine");
1690 BasisList["pc-2"].push_back("silicon");
1691 BasisList["pc-2"].push_back("phosphorus");
1692 BasisList["pc-2"].push_back("sulfur");
1693 BasisList["pc-2"].push_back("chlorine");
1694 BasisList["pc-3-aug"].push_back("hydrogen");
1695 BasisList["pc-3-aug"].push_back("carbon");
1696 BasisList["pc-3-aug"].push_back("nitrogen");
1697 BasisList["pc-3-aug"].push_back("oxygen");
1698 BasisList["pc-3-aug"].push_back("fluorine");
1699 BasisList["pc-3-aug"].push_back("silicon");
1700 BasisList["pc-3-aug"].push_back("phosphorus");
1701 BasisList["pc-3-aug"].push_back("sulfur");
1702 BasisList["pc-3-aug"].push_back("chlorine");
1703 BasisList["pc-3"].push_back("hydrogen");
1704 BasisList["pc-3"].push_back("carbon");
1705 BasisList["pc-3"].push_back("nitrogen");
1706 BasisList["pc-3"].push_back("oxygen");
1707 BasisList["pc-3"].push_back("fluorine");
1708 BasisList["pc-3"].push_back("silicon");
1709 BasisList["pc-3"].push_back("phosphorus");
1710 BasisList["pc-3"].push_back("sulfur");
1711 BasisList["pc-3"].push_back("chlorine");
1712 BasisList["pc-4-aug"].push_back("hydrogen");
1713 BasisList["pc-4-aug"].push_back("carbon");
1714 BasisList["pc-4-aug"].push_back("nitrogen");
1715 BasisList["pc-4-aug"].push_back("oxygen");
1716 BasisList["pc-4-aug"].push_back("fluorine");
1717 BasisList["pc-4-aug"].push_back("silicon");
1718 BasisList["pc-4-aug"].push_back("phosphorus");
1719 BasisList["pc-4-aug"].push_back("sulfur");
1720 BasisList["pc-4-aug"].push_back("chlorine");
1721 BasisList["pc-4"].push_back("hydrogen");
1722 BasisList["pc-4"].push_back("carbon");
1723 BasisList["pc-4"].push_back("nitrogen");
1724 BasisList["pc-4"].push_back("oxygen");
1725 BasisList["pc-4"].push_back("fluorine");
1726 BasisList["pc-4"].push_back("silicon");
1727 BasisList["pc-4"].push_back("phosphorus");
1728 BasisList["pc-4"].push_back("sulfur");
1729 BasisList["pc-4"].push_back("chlorine");
1730 BasisList["STO-2G"].push_back("hydrogen");
1731 BasisList["STO-2G"].push_back("helium");
1732 BasisList["STO-2G"].push_back("lithium");
1733 BasisList["STO-2G"].push_back("beryllium");
1734 BasisList["STO-2G"].push_back("boron");
1735 BasisList["STO-2G"].push_back("carbon");
1736 BasisList["STO-2G"].push_back("nitrogen");
1737 BasisList["STO-2G"].push_back("oxygen");
1738 BasisList["STO-2G"].push_back("fluorine");
1739 BasisList["STO-2G"].push_back("neon");
1740 BasisList["STO-2G"].push_back("sodium");
1741 BasisList["STO-2G"].push_back("magnesium");
1742 BasisList["STO-2G"].push_back("aluminum");
1743 BasisList["STO-2G"].push_back("silicon");
1744 BasisList["STO-2G"].push_back("phosphorus");
1745 BasisList["STO-2G"].push_back("sulfur");
1746 BasisList["STO-2G"].push_back("chlorine");
1747 BasisList["STO-2G"].push_back("argon");
1748 BasisList["STO-2G"].push_back("potassium");
1749 BasisList["STO-2G"].push_back("calcium");
1750 BasisList["STO-3G"].push_back("hydrogen");
1751 BasisList["STO-3G"].push_back("helium");
1752 BasisList["STO-3G"].push_back("lithium");
1753 BasisList["STO-3G"].push_back("beryllium");
1754 BasisList["STO-3G"].push_back("boron");
1755 BasisList["STO-3G"].push_back("carbon");
1756 BasisList["STO-3G"].push_back("nitrogen");
1757 BasisList["STO-3G"].push_back("oxygen");
1758 BasisList["STO-3G"].push_back("fluorine");
1759 BasisList["STO-3G"].push_back("neon");
1760 BasisList["STO-3G"].push_back("sodium");
1761 BasisList["STO-3G"].push_back("magnesium");
1762 BasisList["STO-3G"].push_back("aluminum");
1763 BasisList["STO-3G"].push_back("silicon");
1764 BasisList["STO-3G"].push_back("phosphorus");
1765 BasisList["STO-3G"].push_back("sulfur");
1766 BasisList["STO-3G"].push_back("chlorine");
1767 BasisList["STO-3G"].push_back("argon");
1768 BasisList["STO-3G"].push_back("potassium");
1769 BasisList["STO-3G"].push_back("calcium");
1770 BasisList["STO-3G"].push_back("scandium");
1771 BasisList["STO-3G"].push_back("titanium");
1772 BasisList["STO-3G"].push_back("vanadium");
1773 BasisList["STO-3G"].push_back("chromium");
1774 BasisList["STO-3G"].push_back("manganese");
1775 BasisList["STO-3G"].push_back("iron");
1776 BasisList["STO-3G"].push_back("cobalt");
1777 BasisList["STO-3G"].push_back("nickel");
1778 BasisList["STO-3G"].push_back("copper");
1779 BasisList["STO-3G"].push_back("zinc");
1780 BasisList["STO-3G"].push_back("gallium");
1781 BasisList["STO-3G"].push_back("germanium");
1782 BasisList["STO-3G"].push_back("arsenic");
1783 BasisList["STO-3G"].push_back("selenium");
1784 BasisList["STO-3G"].push_back("bromine");
1785 BasisList["STO-3G"].push_back("krypton");
1786 BasisList["STO-3G*"].push_back("hydrogen");
1787 BasisList["STO-3G*"].push_back("helium");
1788 BasisList["STO-3G*"].push_back("lithium");
1789 BasisList["STO-3G*"].push_back("beryllium");
1790 BasisList["STO-3G*"].push_back("boron");
1791 BasisList["STO-3G*"].push_back("carbon");
1792 BasisList["STO-3G*"].push_back("nitrogen");
1793 BasisList["STO-3G*"].push_back("oxygen");
1794 BasisList["STO-3G*"].push_back("fluorine");
1795 BasisList["STO-3G*"].push_back("neon");
1796 BasisList["STO-3G*"].push_back("sodium");
1797 BasisList["STO-3G*"].push_back("magnesium");
1798 BasisList["STO-3G*"].push_back("aluminum");
1799 BasisList["STO-3G*"].push_back("silicon");
1800 BasisList["STO-3G*"].push_back("phosphorus");
1801 BasisList["STO-3G*"].push_back("sulfur");
1802 BasisList["STO-3G*"].push_back("chlorine");
1803 BasisList["STO-3G*"].push_back("argon");
1804 BasisList["STO-6G"].push_back("hydrogen");
1805 BasisList["STO-6G"].push_back("helium");
1806 BasisList["STO-6G"].push_back("lithium");
1807 BasisList["STO-6G"].push_back("beryllium");
1808 BasisList["STO-6G"].push_back("boron");
1809 BasisList["STO-6G"].push_back("carbon");
1810 BasisList["STO-6G"].push_back("nitrogen");
1811 BasisList["STO-6G"].push_back("oxygen");
1812 BasisList["STO-6G"].push_back("fluorine");
1813 BasisList["STO-6G"].push_back("neon");
1814 BasisList["STO-6G"].push_back("sodium");
1815 BasisList["STO-6G"].push_back("magnesium");
1816 BasisList["STO-6G"].push_back("aluminum");
1817 BasisList["STO-6G"].push_back("silicon");
1818 BasisList["STO-6G"].push_back("phosphorus");
1819 BasisList["STO-6G"].push_back("sulfur");
1820 BasisList["STO-6G"].push_back("chlorine");
1821 BasisList["STO-6G"].push_back("argon");
1822 BasisList["STO-6G"].push_back("potassium");
1823 BasisList["STO-6G"].push_back("calcium");
1824 BasisList["STO-6G"].push_back("scandium");
1825 BasisList["STO-6G"].push_back("titanium");
1826 BasisList["STO-6G"].push_back("vanadium");
1827 BasisList["STO-6G"].push_back("chromium");
1828 BasisList["STO-6G"].push_back("manganese");
1829 BasisList["STO-6G"].push_back("iron");
1830 BasisList["STO-6G"].push_back("cobalt");
1831 BasisList["STO-6G"].push_back("nickel");
1832 BasisList["STO-6G"].push_back("copper");
1833 BasisList["STO-6G"].push_back("zinc");
1834 BasisList["STO-6G"].push_back("gallium");
1835 BasisList["STO-6G"].push_back("germanium");
1836 BasisList["STO-6G"].push_back("arsenic");
1837 BasisList["STO-6G"].push_back("selenium");
1838 BasisList["STO-6G"].push_back("bromine");
1839 BasisList["STO-6G"].push_back("krypton");
1840 BasisList["TZ(Dunning)"].push_back("hydrogen");
1841 BasisList["TZ(Dunning)"].push_back("lithium");
1842 BasisList["TZ(Dunning)"].push_back("beryllium");
1843 BasisList["TZ(Dunning)"].push_back("boron");
1844 BasisList["TZ(Dunning)"].push_back("carbon");
1845 BasisList["TZ(Dunning)"].push_back("nitrogen");
1846 BasisList["TZ(Dunning)"].push_back("oxygen");
1847 BasisList["TZ(Dunning)"].push_back("fluorine");
1848 BasisList["TZ(Dunning)"].push_back("neon");
1849}
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