/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2010-2012 University of Bonn. All rights reserved. * * * This file is part of MoleCuilder. * * MoleCuilder is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 2 of the License, or * (at your option) any later version. * * MoleCuilder is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with MoleCuilder. If not, see . */ /* * MpqcParser_Parameters_initBasis.cpp * * Created on: Feb 4, 2011 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include #include "CodePatterns/MemDebug.hpp" #include "MpqcParser_Parameters.hpp" void MpqcParser_Parameters::initBasis() { // list is obtained via the following shell script //for basis in ~/install/share/mpqc/3.0.0-alpha/basis/*.kv; do // grep ": \"" $basis | awk -F":" '{print "\tBasisList["$2"].push_back(\""$1"\");"}' | tr -d \ ; //done BasisList["3-21G"].push_back("hydrogen"); BasisList["3-21G"].push_back("helium"); BasisList["3-21G"].push_back("lithium"); BasisList["3-21G"].push_back("beryllium"); BasisList["3-21G"].push_back("boron"); BasisList["3-21G"].push_back("carbon"); BasisList["3-21G"].push_back("nitrogen"); BasisList["3-21G"].push_back("oxygen"); BasisList["3-21G"].push_back("fluorine"); BasisList["3-21G"].push_back("neon"); BasisList["3-21G"].push_back("sodium"); BasisList["3-21G"].push_back("magnesium"); BasisList["3-21G"].push_back("aluminum"); BasisList["3-21G"].push_back("silicon"); BasisList["3-21G"].push_back("phosphorus"); BasisList["3-21G"].push_back("sulfur"); BasisList["3-21G"].push_back("chlorine"); BasisList["3-21G"].push_back("argon"); BasisList["3-21G"].push_back("potassium"); BasisList["3-21G"].push_back("calcium"); BasisList["3-21G"].push_back("scandium"); BasisList["3-21G"].push_back("titanium"); BasisList["3-21G"].push_back("vanadium"); BasisList["3-21G"].push_back("chromium"); BasisList["3-21G"].push_back("manganese"); BasisList["3-21G"].push_back("iron"); BasisList["3-21G"].push_back("cobalt"); BasisList["3-21G"].push_back("nickel"); BasisList["3-21G"].push_back("copper"); BasisList["3-21G"].push_back("zinc"); BasisList["3-21G"].push_back("gallium"); BasisList["3-21G"].push_back("germanium"); BasisList["3-21G"].push_back("arsenic"); BasisList["3-21G"].push_back("selenium"); BasisList["3-21G"].push_back("bromine"); BasisList["3-21G"].push_back("krypton"); BasisList["3-21G*"].push_back("hydrogen"); BasisList["3-21G*"].push_back("helium"); BasisList["3-21G*"].push_back("lithium"); BasisList["3-21G*"].push_back("beryllium"); BasisList["3-21G*"].push_back("boron"); BasisList["3-21G*"].push_back("carbon"); BasisList["3-21G*"].push_back("nitrogen"); BasisList["3-21G*"].push_back("oxygen"); BasisList["3-21G*"].push_back("fluorine"); BasisList["3-21G*"].push_back("neon"); BasisList["3-21G*"].push_back("sodium"); BasisList["3-21G*"].push_back("magnesium"); BasisList["3-21G*"].push_back("aluminum"); BasisList["3-21G*"].push_back("silicon"); BasisList["3-21G*"].push_back("phosphorus"); BasisList["3-21G*"].push_back("sulfur"); BasisList["3-21G*"].push_back("chlorine"); BasisList["3-21G*"].push_back("argon"); BasisList["3-21++G"].push_back("hydrogen"); BasisList["3-21++G"].push_back("helium"); BasisList["3-21++G"].push_back("lithium"); BasisList["3-21++G"].push_back("beryllium"); BasisList["3-21++G"].push_back("boron"); BasisList["3-21++G"].push_back("carbon"); BasisList["3-21++G"].push_back("nitrogen"); BasisList["3-21++G"].push_back("oxygen"); BasisList["3-21++G"].push_back("fluorine"); BasisList["3-21++G"].push_back("neon"); BasisList["3-21++G"].push_back("sodium"); BasisList["3-21++G"].push_back("magnesium"); BasisList["3-21++G"].push_back("aluminum"); BasisList["3-21++G"].push_back("silicon"); BasisList["3-21++G"].push_back("phosphorus"); BasisList["3-21++G"].push_back("sulfur"); BasisList["3-21++G"].push_back("chlorine"); BasisList["3-21++G"].push_back("argon"); BasisList["3-21++G*"].push_back("hydrogen"); BasisList["3-21++G*"].push_back("helium"); BasisList["3-21++G*"].push_back("lithium"); BasisList["3-21++G*"].push_back("beryllium"); BasisList["3-21++G*"].push_back("boron"); BasisList["3-21++G*"].push_back("carbon"); BasisList["3-21++G*"].push_back("nitrogen"); BasisList["3-21++G*"].push_back("oxygen"); BasisList["3-21++G*"].push_back("fluorine"); BasisList["3-21++G*"].push_back("neon"); BasisList["3-21++G*"].push_back("sodium"); BasisList["3-21++G*"].push_back("magnesium"); BasisList["3-21++G*"].push_back("aluminum"); BasisList["3-21++G*"].push_back("silicon"); BasisList["3-21++G*"].push_back("phosphorus"); BasisList["3-21++G*"].push_back("sulfur"); BasisList["3-21++G*"].push_back("chlorine"); BasisList["3-21++G*"].push_back("argon"); BasisList["4-31G"].push_back("hydrogen"); BasisList["4-31G"].push_back("helium"); BasisList["4-31G"].push_back("lithium"); BasisList["4-31G"].push_back("beryllium"); BasisList["4-31G"].push_back("boron"); BasisList["4-31G"].push_back("carbon"); BasisList["4-31G"].push_back("nitrogen"); BasisList["4-31G"].push_back("oxygen"); BasisList["4-31G"].push_back("fluorine"); BasisList["4-31G"].push_back("neon"); BasisList["4-31G"].push_back("phosphorus"); BasisList["4-31G"].push_back("sulfur"); BasisList["4-31G"].push_back("chlorine"); BasisList["6-311G"].push_back("hydrogen"); BasisList["6-311G"].push_back("helium"); BasisList["6-311G"].push_back("lithium"); BasisList["6-311G"].push_back("beryllium"); BasisList["6-311G"].push_back("boron"); BasisList["6-311G"].push_back("carbon"); BasisList["6-311G"].push_back("nitrogen"); BasisList["6-311G"].push_back("oxygen"); BasisList["6-311G"].push_back("fluorine"); BasisList["6-311G"].push_back("neon"); BasisList["6-311G"].push_back("sodium"); BasisList["6-311G"].push_back("magnesium"); BasisList["6-311G"].push_back("aluminum"); BasisList["6-311G"].push_back("silicon"); BasisList["6-311G"].push_back("phosphorus"); BasisList["6-311G"].push_back("sulfur"); BasisList["6-311G"].push_back("chlorine"); BasisList["6-311G"].push_back("argon"); BasisList["6-311G"].push_back("potassium"); BasisList["6-311G"].push_back("calcium"); BasisList["6-311G"].push_back("gallium"); BasisList["6-311G"].push_back("germanium"); BasisList["6-311G"].push_back("arsenic"); BasisList["6-311G"].push_back("selenium"); BasisList["6-311G"].push_back("bromine"); BasisList["6-311G"].push_back("krypton"); BasisList["6-311G(2df,2pd)"].push_back("hydrogen"); BasisList["6-311G(2df,2pd)"].push_back("helium"); BasisList["6-311G(2df,2pd)"].push_back("lithium"); BasisList["6-311G(2df,2pd)"].push_back("beryllium"); BasisList["6-311G(2df,2pd)"].push_back("boron"); BasisList["6-311G(2df,2pd)"].push_back("carbon"); BasisList["6-311G(2df,2pd)"].push_back("nitrogen"); BasisList["6-311G(2df,2pd)"].push_back("oxygen"); BasisList["6-311G(2df,2pd)"].push_back("fluorine"); BasisList["6-311G(2df,2pd)"].push_back("neon"); BasisList["6-311G(2df,2pd)"].push_back("potassium"); BasisList["6-311G(2df,2pd)"].push_back("calcium"); BasisList["6-311G*"].push_back("hydrogen"); BasisList["6-311G*"].push_back("helium"); BasisList["6-311G*"].push_back("lithium"); BasisList["6-311G*"].push_back("beryllium"); BasisList["6-311G*"].push_back("boron"); BasisList["6-311G*"].push_back("carbon"); BasisList["6-311G*"].push_back("nitrogen"); BasisList["6-311G*"].push_back("oxygen"); BasisList["6-311G*"].push_back("fluorine"); BasisList["6-311G*"].push_back("neon"); BasisList["6-311G*"].push_back("sodium"); BasisList["6-311G*"].push_back("magnesium"); BasisList["6-311G*"].push_back("aluminum"); BasisList["6-311G*"].push_back("silicon"); BasisList["6-311G*"].push_back("phosphorus"); BasisList["6-311G*"].push_back("sulfur"); BasisList["6-311G*"].push_back("chlorine"); BasisList["6-311G*"].push_back("argon"); BasisList["6-311G*"].push_back("potassium"); BasisList["6-311G*"].push_back("calcium"); BasisList["6-311G*"].push_back("gallium"); BasisList["6-311G*"].push_back("germanium"); BasisList["6-311G*"].push_back("arsenic"); BasisList["6-311G*"].push_back("selenium"); BasisList["6-311G*"].push_back("bromine"); BasisList["6-311G*"].push_back("krypton"); BasisList["6-311G**"].push_back("hydrogen"); BasisList["6-311G**"].push_back("helium"); BasisList["6-311G**"].push_back("lithium"); BasisList["6-311G**"].push_back("beryllium"); BasisList["6-311G**"].push_back("boron"); BasisList["6-311G**"].push_back("carbon"); BasisList["6-311G**"].push_back("nitrogen"); BasisList["6-311G**"].push_back("oxygen"); BasisList["6-311G**"].push_back("fluorine"); BasisList["6-311G**"].push_back("neon"); BasisList["6-311G**"].push_back("sodium"); BasisList["6-311G**"].push_back("magnesium"); BasisList["6-311G**"].push_back("aluminum"); BasisList["6-311G**"].push_back("silicon"); BasisList["6-311G**"].push_back("phosphorus"); BasisList["6-311G**"].push_back("sulfur"); BasisList["6-311G**"].push_back("chlorine"); BasisList["6-311G**"].push_back("argon"); BasisList["6-311G**"].push_back("potassium"); BasisList["6-311G**"].push_back("calcium"); BasisList["6-311G**"].push_back("gallium"); BasisList["6-311G**"].push_back("germanium"); BasisList["6-311G**"].push_back("arsenic"); BasisList["6-311G**"].push_back("selenium"); BasisList["6-311G**"].push_back("bromine"); BasisList["6-311G**"].push_back("krypton"); BasisList["6-311++G(2d,2p)"].push_back("hydrogen"); BasisList["6-311++G(2d,2p)"].push_back("helium"); BasisList["6-311++G(2d,2p)"].push_back("lithium"); BasisList["6-311++G(2d,2p)"].push_back("beryllium"); BasisList["6-311++G(2d,2p)"].push_back("boron"); BasisList["6-311++G(2d,2p)"].push_back("carbon"); BasisList["6-311++G(2d,2p)"].push_back("nitrogen"); BasisList["6-311++G(2d,2p)"].push_back("oxygen"); BasisList["6-311++G(2d,2p)"].push_back("fluorine"); BasisList["6-311++G(2d,2p)"].push_back("neon"); BasisList["6-311++G(2d,2p)"].push_back("sodium"); BasisList["6-311++G(2d,2p)"].push_back("magnesium"); BasisList["6-311++G(2d,2p)"].push_back("aluminum"); BasisList["6-311++G(2d,2p)"].push_back("silicon"); BasisList["6-311++G(2d,2p)"].push_back("phosphorus"); BasisList["6-311++G(2d,2p)"].push_back("sulfur"); BasisList["6-311++G(2d,2p)"].push_back("chlorine"); BasisList["6-311++G(2d,2p)"].push_back("argon"); BasisList["6-311++G(2d,2p)"].push_back("potassium"); BasisList["6-311++G(2d,2p)"].push_back("calcium"); BasisList["6-311++G(3df,3pd)"].push_back("hydrogen"); BasisList["6-311++G(3df,3pd)"].push_back("helium"); BasisList["6-311++G(3df,3pd)"].push_back("lithium"); BasisList["6-311++G(3df,3pd)"].push_back("beryllium"); BasisList["6-311++G(3df,3pd)"].push_back("boron"); BasisList["6-311++G(3df,3pd)"].push_back("carbon"); BasisList["6-311++G(3df,3pd)"].push_back("nitrogen"); BasisList["6-311++G(3df,3pd)"].push_back("oxygen"); BasisList["6-311++G(3df,3pd)"].push_back("fluorine"); BasisList["6-311++G(3df,3pd)"].push_back("neon"); BasisList["6-311++G(3df,3pd)"].push_back("sodium"); BasisList["6-311++G(3df,3pd)"].push_back("magnesium"); BasisList["6-311++G(3df,3pd)"].push_back("aluminum"); BasisList["6-311++G(3df,3pd)"].push_back("silicon"); BasisList["6-311++G(3df,3pd)"].push_back("phosphorus"); BasisList["6-311++G(3df,3pd)"].push_back("sulfur"); BasisList["6-311++G(3df,3pd)"].push_back("chlorine"); BasisList["6-311++G(3df,3pd)"].push_back("argon"); BasisList["6-311++G**"].push_back("hydrogen"); BasisList["6-311++G**"].push_back("helium"); BasisList["6-311++G**"].push_back("lithium"); BasisList["6-311++G**"].push_back("beryllium"); BasisList["6-311++G**"].push_back("boron"); BasisList["6-311++G**"].push_back("carbon"); BasisList["6-311++G**"].push_back("nitrogen"); BasisList["6-311++G**"].push_back("oxygen"); BasisList["6-311++G**"].push_back("fluorine"); BasisList["6-311++G**"].push_back("neon"); BasisList["6-31G"].push_back("hydrogen"); BasisList["6-31G"].push_back("helium"); BasisList["6-31G"].push_back("lithium"); BasisList["6-31G"].push_back("beryllium"); BasisList["6-31G"].push_back("boron"); BasisList["6-31G"].push_back("carbon"); BasisList["6-31G"].push_back("nitrogen"); BasisList["6-31G"].push_back("oxygen"); BasisList["6-31G"].push_back("fluorine"); BasisList["6-31G"].push_back("neon"); BasisList["6-31G"].push_back("sodium"); BasisList["6-31G"].push_back("magnesium"); BasisList["6-31G"].push_back("aluminum"); BasisList["6-31G"].push_back("silicon"); BasisList["6-31G"].push_back("phosphorus"); BasisList["6-31G"].push_back("sulfur"); BasisList["6-31G"].push_back("chlorine"); BasisList["6-31G"].push_back("argon"); BasisList["6-31G"].push_back("potassium"); BasisList["6-31G"].push_back("calcium"); BasisList["6-31G"].push_back("scandium"); BasisList["6-31G"].push_back("titanium"); BasisList["6-31G"].push_back("vanadium"); BasisList["6-31G"].push_back("chromium"); BasisList["6-31G"].push_back("manganese"); BasisList["6-31G"].push_back("iron"); BasisList["6-31G"].push_back("cobalt"); BasisList["6-31G"].push_back("nickel"); BasisList["6-31G"].push_back("copper"); BasisList["6-31G"].push_back("zinc"); BasisList["6-31G*"].push_back("hydrogen"); BasisList["6-31G*"].push_back("helium"); BasisList["6-31G*"].push_back("lithium"); BasisList["6-31G*"].push_back("beryllium"); BasisList["6-31G*"].push_back("boron"); BasisList["6-31G*"].push_back("carbon"); BasisList["6-31G*"].push_back("nitrogen"); BasisList["6-31G*"].push_back("oxygen"); BasisList["6-31G*"].push_back("fluorine"); BasisList["6-31G*"].push_back("neon"); BasisList["6-31G*"].push_back("sodium"); BasisList["6-31G*"].push_back("magnesium"); BasisList["6-31G*"].push_back("aluminum"); BasisList["6-31G*"].push_back("silicon"); BasisList["6-31G*"].push_back("phosphorus"); BasisList["6-31G*"].push_back("sulfur"); BasisList["6-31G*"].push_back("chlorine"); BasisList["6-31G*"].push_back("argon"); BasisList["6-31G*"].push_back("potassium"); BasisList["6-31G*"].push_back("calcium"); BasisList["6-31G*"].push_back("scandium"); BasisList["6-31G*"].push_back("titanium"); BasisList["6-31G*"].push_back("vanadium"); BasisList["6-31G*"].push_back("chromium"); BasisList["6-31G*"].push_back("manganese"); BasisList["6-31G*"].push_back("iron"); BasisList["6-31G*"].push_back("cobalt"); BasisList["6-31G*"].push_back("nickel"); BasisList["6-31G*"].push_back("copper"); BasisList["6-31G*"].push_back("zinc"); BasisList["6-31G**"].push_back("hydrogen"); BasisList["6-31G**"].push_back("helium"); BasisList["6-31G**"].push_back("lithium"); BasisList["6-31G**"].push_back("beryllium"); BasisList["6-31G**"].push_back("boron"); BasisList["6-31G**"].push_back("carbon"); BasisList["6-31G**"].push_back("nitrogen"); BasisList["6-31G**"].push_back("oxygen"); BasisList["6-31G**"].push_back("fluorine"); BasisList["6-31G**"].push_back("neon"); BasisList["6-31G**"].push_back("sodium"); BasisList["6-31G**"].push_back("magnesium"); BasisList["6-31G**"].push_back("aluminum"); BasisList["6-31G**"].push_back("silicon"); BasisList["6-31G**"].push_back("phosphorus"); BasisList["6-31G**"].push_back("sulfur"); BasisList["6-31G**"].push_back("chlorine"); BasisList["6-31G**"].push_back("argon"); BasisList["6-31G**"].push_back("potassium"); BasisList["6-31G**"].push_back("calcium"); BasisList["6-31G**"].push_back("scandium"); BasisList["6-31G**"].push_back("titanium"); BasisList["6-31G**"].push_back("vanadium"); BasisList["6-31G**"].push_back("chromium"); BasisList["6-31G**"].push_back("manganese"); BasisList["6-31G**"].push_back("iron"); BasisList["6-31G**"].push_back("cobalt"); BasisList["6-31G**"].push_back("nickel"); BasisList["6-31G**"].push_back("copper"); BasisList["6-31G**"].push_back("zinc"); BasisList["6-31+G*"].push_back("hydrogen"); BasisList["6-31+G*"].push_back("helium"); BasisList["6-31+G*"].push_back("lithium"); BasisList["6-31+G*"].push_back("beryllium"); BasisList["6-31+G*"].push_back("boron"); BasisList["6-31+G*"].push_back("carbon"); BasisList["6-31+G*"].push_back("nitrogen"); BasisList["6-31+G*"].push_back("oxygen"); BasisList["6-31+G*"].push_back("fluorine"); BasisList["6-31+G*"].push_back("neon"); BasisList["6-31+G*"].push_back("sodium"); BasisList["6-31+G*"].push_back("magnesium"); BasisList["6-31+G*"].push_back("aluminum"); BasisList["6-31+G*"].push_back("silicon"); BasisList["6-31+G*"].push_back("phosphorus"); BasisList["6-31+G*"].push_back("sulfur"); BasisList["6-31+G*"].push_back("chlorine"); BasisList["6-31+G*"].push_back("argon"); BasisList["6-31++G"].push_back("hydrogen"); BasisList["6-31++G"].push_back("helium"); BasisList["6-31++G"].push_back("lithium"); BasisList["6-31++G"].push_back("beryllium"); BasisList["6-31++G"].push_back("boron"); BasisList["6-31++G"].push_back("carbon"); BasisList["6-31++G"].push_back("nitrogen"); BasisList["6-31++G"].push_back("oxygen"); BasisList["6-31++G"].push_back("fluorine"); BasisList["6-31++G"].push_back("neon"); BasisList["6-31++G"].push_back("sodium"); BasisList["6-31++G"].push_back("magnesium"); BasisList["6-31++G"].push_back("aluminum"); BasisList["6-31++G"].push_back("silicon"); BasisList["6-31++G"].push_back("phosphorus"); BasisList["6-31++G"].push_back("sulfur"); BasisList["6-31++G"].push_back("chlorine"); BasisList["6-31++G"].push_back("argon"); BasisList["6-31++G"].push_back("potassium"); BasisList["6-31++G"].push_back("calcium"); BasisList["6-31++G*"].push_back("hydrogen"); BasisList["6-31++G*"].push_back("helium"); BasisList["6-31++G*"].push_back("lithium"); BasisList["6-31++G*"].push_back("beryllium"); BasisList["6-31++G*"].push_back("boron"); BasisList["6-31++G*"].push_back("carbon"); BasisList["6-31++G*"].push_back("nitrogen"); BasisList["6-31++G*"].push_back("oxygen"); BasisList["6-31++G*"].push_back("fluorine"); BasisList["6-31++G*"].push_back("neon"); BasisList["6-31++G*"].push_back("sodium"); BasisList["6-31++G*"].push_back("magnesium"); BasisList["6-31++G*"].push_back("aluminum"); BasisList["6-31++G*"].push_back("silicon"); BasisList["6-31++G*"].push_back("phosphorus"); BasisList["6-31++G*"].push_back("sulfur"); BasisList["6-31++G*"].push_back("chlorine"); BasisList["6-31++G*"].push_back("argon"); BasisList["6-31++G**"].push_back("hydrogen"); BasisList["6-31++G**"].push_back("helium"); BasisList["6-31++G**"].push_back("lithium"); BasisList["6-31++G**"].push_back("beryllium"); BasisList["6-31++G**"].push_back("boron"); BasisList["6-31++G**"].push_back("carbon"); BasisList["6-31++G**"].push_back("nitrogen"); BasisList["6-31++G**"].push_back("oxygen"); BasisList["6-31++G**"].push_back("fluorine"); BasisList["6-31++G**"].push_back("neon"); BasisList["6-31++G**"].push_back("sodium"); BasisList["6-31++G**"].push_back("magnesium"); BasisList["6-31++G**"].push_back("aluminum"); BasisList["6-31++G**"].push_back("silicon"); BasisList["6-31++G**"].push_back("phosphorus"); BasisList["6-31++G**"].push_back("sulfur"); BasisList["6-31++G**"].push_back("chlorine"); BasisList["6-31++G**"].push_back("argon"); BasisList["aug-cc-pCV5Z"].push_back("boron"); BasisList["aug-cc-pCV5Z"].push_back("carbon"); BasisList["aug-cc-pCV5Z"].push_back("nitrogen"); BasisList["aug-cc-pCV5Z"].push_back("oxygen"); BasisList["aug-cc-pCV5Z"].push_back("fluorine"); BasisList["aug-cc-pCV5Z"].push_back("neon"); BasisList["aug-cc-pCVDZ"].push_back("boron"); BasisList["aug-cc-pCVDZ"].push_back("carbon"); BasisList["aug-cc-pCVDZ"].push_back("nitrogen"); BasisList["aug-cc-pCVDZ"].push_back("oxygen"); BasisList["aug-cc-pCVDZ"].push_back("fluorine"); BasisList["aug-cc-pCVDZ"].push_back("neon"); BasisList["aug-cc-pCVDZ"].push_back("aluminum"); BasisList["aug-cc-pCVDZ"].push_back("silicon"); BasisList["aug-cc-pCVDZ"].push_back("phosphorus"); BasisList["aug-cc-pCVDZ"].push_back("sulfur"); BasisList["aug-cc-pCVDZ"].push_back("chlorine"); BasisList["aug-cc-pCVDZ"].push_back("argon"); BasisList["aug-cc-pCVQZ"].push_back("boron"); BasisList["aug-cc-pCVQZ"].push_back("carbon"); BasisList["aug-cc-pCVQZ"].push_back("nitrogen"); BasisList["aug-cc-pCVQZ"].push_back("oxygen"); BasisList["aug-cc-pCVQZ"].push_back("fluorine"); BasisList["aug-cc-pCVQZ"].push_back("neon"); BasisList["aug-cc-pCVQZ"].push_back("aluminum"); BasisList["aug-cc-pCVQZ"].push_back("silicon"); 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BasisList["augmentation-cc-pVTZ"].push_back("scandium"); BasisList["augmentation-cc-pVTZ"].push_back("titanium"); BasisList["augmentation-cc-pVTZ"].push_back("vanadium"); BasisList["augmentation-cc-pVTZ"].push_back("chromium"); BasisList["augmentation-cc-pVTZ"].push_back("manganese"); BasisList["augmentation-cc-pVTZ"].push_back("iron"); BasisList["augmentation-cc-pVTZ"].push_back("cobalt"); BasisList["augmentation-cc-pVTZ"].push_back("nickel"); BasisList["augmentation-cc-pVTZ"].push_back("copper"); BasisList["augmentation-cc-pVTZ"].push_back("zinc"); BasisList["augmentation-cc-pVTZ-RI"].push_back("hydrogen"); BasisList["augmentation-cc-pVTZ-RI"].push_back("helium"); BasisList["augmentation-cc-pVTZ-RI"].push_back("boron"); BasisList["augmentation-cc-pVTZ-RI"].push_back("carbon"); BasisList["augmentation-cc-pVTZ-RI"].push_back("nitrogen"); BasisList["augmentation-cc-pVTZ-RI"].push_back("oxygen"); BasisList["augmentation-cc-pVTZ-RI"].push_back("fluorine"); BasisList["augmentation-cc-pVTZ-RI"].push_back("neon"); BasisList["augmentation-cc-pVTZ-RI"].push_back("aluminum"); BasisList["augmentation-cc-pVTZ-RI"].push_back("silicon"); BasisList["augmentation-cc-pVTZ-RI"].push_back("phosphorus"); BasisList["augmentation-cc-pVTZ-RI"].push_back("sulfur"); BasisList["augmentation-cc-pVTZ-RI"].push_back("chlorine"); BasisList["augmentation-cc-pVTZ-RI"].push_back("argon"); BasisList["cc-pCV5Z"].push_back("boron"); BasisList["cc-pCV5Z"].push_back("carbon"); BasisList["cc-pCV5Z"].push_back("nitrogen"); BasisList["cc-pCV5Z"].push_back("oxygen"); BasisList["cc-pCV5Z"].push_back("fluorine"); BasisList["cc-pCV5Z"].push_back("neon"); BasisList["cc-pCVDZ"].push_back("lithium"); BasisList["cc-pCVDZ"].push_back("boron"); BasisList["cc-pCVDZ"].push_back("carbon"); BasisList["cc-pCVDZ"].push_back("nitrogen"); BasisList["cc-pCVDZ"].push_back("oxygen"); BasisList["cc-pCVDZ"].push_back("fluorine"); BasisList["cc-pCVDZ"].push_back("neon"); BasisList["cc-pCVDZ"].push_back("sodium"); BasisList["cc-pCVDZ"].push_back("magnesium"); BasisList["cc-pCVDZ"].push_back("aluminum"); BasisList["cc-pCVDZ"].push_back("silicon"); BasisList["cc-pCVDZ"].push_back("phosphorus"); BasisList["cc-pCVDZ"].push_back("sulfur"); BasisList["cc-pCVDZ"].push_back("chlorine"); BasisList["cc-pCVDZ"].push_back("argon"); BasisList["cc-pCVQZ"].push_back("lithium"); BasisList["cc-pCVQZ"].push_back("boron"); BasisList["cc-pCVQZ"].push_back("carbon"); BasisList["cc-pCVQZ"].push_back("nitrogen"); BasisList["cc-pCVQZ"].push_back("oxygen"); BasisList["cc-pCVQZ"].push_back("fluorine"); BasisList["cc-pCVQZ"].push_back("neon"); BasisList["cc-pCVQZ"].push_back("sodium"); BasisList["cc-pCVQZ"].push_back("magnesium"); BasisList["cc-pCVQZ"].push_back("aluminum"); BasisList["cc-pCVQZ"].push_back("silicon"); BasisList["cc-pCVQZ"].push_back("phosphorus"); BasisList["cc-pCVQZ"].push_back("sulfur"); BasisList["cc-pCVQZ"].push_back("chlorine"); BasisList["cc-pCVQZ"].push_back("argon"); BasisList["cc-pCVTZ"].push_back("lithium"); BasisList["cc-pCVTZ"].push_back("boron"); BasisList["cc-pCVTZ"].push_back("carbon"); BasisList["cc-pCVTZ"].push_back("nitrogen"); BasisList["cc-pCVTZ"].push_back("oxygen"); BasisList["cc-pCVTZ"].push_back("fluorine"); BasisList["cc-pCVTZ"].push_back("neon"); BasisList["cc-pCVTZ"].push_back("sodium"); BasisList["cc-pCVTZ"].push_back("magnesium"); BasisList["cc-pCVTZ"].push_back("aluminum"); BasisList["cc-pCVTZ"].push_back("silicon"); BasisList["cc-pCVTZ"].push_back("phosphorus"); BasisList["cc-pCVTZ"].push_back("sulfur"); BasisList["cc-pCVTZ"].push_back("chlorine"); BasisList["cc-pCVTZ"].push_back("argon"); BasisList["cc-pV5Z-DK"].push_back("hydrogen"); BasisList["cc-pV5Z-DK"].push_back("helium"); BasisList["cc-pV5Z-DK"].push_back("lithium"); BasisList["cc-pV5Z-DK"].push_back("beryllium"); BasisList["cc-pV5Z-DK"].push_back("boron"); BasisList["cc-pV5Z-DK"].push_back("carbon"); BasisList["cc-pV5Z-DK"].push_back("nitrogen"); BasisList["cc-pV5Z-DK"].push_back("oxygen"); BasisList["cc-pV5Z-DK"].push_back("fluorine"); BasisList["cc-pV5Z-DK"].push_back("neon"); BasisList["cc-pV5Z-DK"].push_back("aluminum"); BasisList["cc-pV5Z-DK"].push_back("silicon"); BasisList["cc-pV5Z-DK"].push_back("phosphorus"); BasisList["cc-pV5Z-DK"].push_back("sulfur"); BasisList["cc-pV5Z-DK"].push_back("chlorine"); BasisList["cc-pV5Z-DK"].push_back("argon"); BasisList["cc-pV5Z-DK"].push_back("gallium"); BasisList["cc-pV5Z-DK"].push_back("germanium"); BasisList["cc-pV5Z-DK"].push_back("arsenic"); BasisList["cc-pV5Z-DK"].push_back("selenium"); BasisList["cc-pV5Z-DK"].push_back("bromine"); BasisList["cc-pV5Z-DK"].push_back("krypton"); BasisList["cc-pV5Z-DK"].push_back("scandium"); BasisList["cc-pV5Z-DK"].push_back("titanium"); BasisList["cc-pV5Z-DK"].push_back("vanadium"); BasisList["cc-pV5Z-DK"].push_back("chromium"); BasisList["cc-pV5Z-DK"].push_back("manganese"); BasisList["cc-pV5Z-DK"].push_back("iron"); BasisList["cc-pV5Z-DK"].push_back("cobalt"); BasisList["cc-pV5Z-DK"].push_back("nickel"); BasisList["cc-pV5Z-DK"].push_back("copper"); BasisList["cc-pV5Z-DK"].push_back("zinc"); BasisList["cc-pV5Z"].push_back("hydrogen"); BasisList["cc-pV5Z"].push_back("helium"); BasisList["cc-pV5Z"].push_back("lithium"); BasisList["cc-pV5Z"].push_back("beryllium"); BasisList["cc-pV5Z"].push_back("boron"); BasisList["cc-pV5Z"].push_back("carbon"); BasisList["cc-pV5Z"].push_back("nitrogen"); BasisList["cc-pV5Z"].push_back("oxygen"); BasisList["cc-pV5Z"].push_back("fluorine"); BasisList["cc-pV5Z"].push_back("neon"); BasisList["cc-pV5Z"].push_back("sodium"); BasisList["cc-pV5Z"].push_back("magnesium"); BasisList["cc-pV5Z"].push_back("aluminum"); BasisList["cc-pV5Z"].push_back("silicon"); BasisList["cc-pV5Z"].push_back("phosphorus"); BasisList["cc-pV5Z"].push_back("sulfur"); BasisList["cc-pV5Z"].push_back("chlorine"); BasisList["cc-pV5Z"].push_back("argon"); BasisList["cc-pV5Z"].push_back("calcium"); BasisList["cc-pV5Z"].push_back("gallium"); BasisList["cc-pV5Z"].push_back("germanium"); BasisList["cc-pV5Z"].push_back("arsenic"); BasisList["cc-pV5Z"].push_back("selenium"); BasisList["cc-pV5Z"].push_back("bromine"); BasisList["cc-pV5Z"].push_back("krypton"); BasisList["cc-pV5Z"].push_back("scandium"); BasisList["cc-pV5Z"].push_back("titanium"); BasisList["cc-pV5Z"].push_back("vanadium"); BasisList["cc-pV5Z"].push_back("chromium"); BasisList["cc-pV5Z"].push_back("manganese"); BasisList["cc-pV5Z"].push_back("iron"); BasisList["cc-pV5Z"].push_back("cobalt"); BasisList["cc-pV5Z"].push_back("nickel"); BasisList["cc-pV5Z"].push_back("copper"); BasisList["cc-pV5Z"].push_back("zinc"); BasisList["cc-pV5Z-RI"].push_back("hydrogen"); BasisList["cc-pV5Z-RI"].push_back("helium"); BasisList["cc-pV5Z-RI"].push_back("lithium"); BasisList["cc-pV5Z-RI"].push_back("beryllium"); BasisList["cc-pV5Z-RI"].push_back("boron"); BasisList["cc-pV5Z-RI"].push_back("carbon"); BasisList["cc-pV5Z-RI"].push_back("nitrogen"); BasisList["cc-pV5Z-RI"].push_back("oxygen"); BasisList["cc-pV5Z-RI"].push_back("fluorine"); BasisList["cc-pV5Z-RI"].push_back("neon"); BasisList["cc-pV5Z-RI"].push_back("sodium"); BasisList["cc-pV5Z-RI"].push_back("magnesium"); BasisList["cc-pV5Z-RI"].push_back("aluminum"); BasisList["cc-pV5Z-RI"].push_back("silicon"); BasisList["cc-pV5Z-RI"].push_back("phosphorus"); BasisList["cc-pV5Z-RI"].push_back("sulfur"); BasisList["cc-pV5Z-RI"].push_back("chlorine"); BasisList["cc-pV5Z-RI"].push_back("argon"); BasisList["cc-pV6Z"].push_back("hydrogen"); BasisList["cc-pV6Z"].push_back("helium"); BasisList["cc-pV6Z"].push_back("boron"); BasisList["cc-pV6Z"].push_back("carbon"); BasisList["cc-pV6Z"].push_back("nitrogen"); BasisList["cc-pV6Z"].push_back("oxygen"); BasisList["cc-pV6Z"].push_back("fluorine"); BasisList["cc-pV6Z"].push_back("neon"); BasisList["cc-pV6Z"].push_back("aluminum"); BasisList["cc-pV6Z"].push_back("silicon"); BasisList["cc-pV6Z"].push_back("phosphorus"); BasisList["cc-pV6Z"].push_back("sulfur"); BasisList["cc-pV6Z"].push_back("chlorine"); BasisList["cc-pV6Z"].push_back("argon"); BasisList["cc-pV6Z-RI"].push_back("hydrogen"); BasisList["cc-pV6Z-RI"].push_back("helium"); BasisList["cc-pV6Z-RI"].push_back("lithium"); BasisList["cc-pV6Z-RI"].push_back("beryllium"); BasisList["cc-pV6Z-RI"].push_back("boron"); BasisList["cc-pV6Z-RI"].push_back("carbon"); BasisList["cc-pV6Z-RI"].push_back("nitrogen"); BasisList["cc-pV6Z-RI"].push_back("oxygen"); BasisList["cc-pV6Z-RI"].push_back("fluorine"); BasisList["cc-pV6Z-RI"].push_back("neon"); BasisList["cc-pV6Z-RI"].push_back("sodium"); BasisList["cc-pV6Z-RI"].push_back("magnesium"); BasisList["cc-pV6Z-RI"].push_back("aluminum"); BasisList["cc-pV6Z-RI"].push_back("silicon"); BasisList["cc-pV6Z-RI"].push_back("phosphorus"); BasisList["cc-pV6Z-RI"].push_back("sulfur"); BasisList["cc-pV6Z-RI"].push_back("chlorine"); BasisList["cc-pV6Z-RI"].push_back("argon"); BasisList["cc-pVDZ-DK"].push_back("hydrogen"); BasisList["cc-pVDZ-DK"].push_back("helium"); BasisList["cc-pVDZ-DK"].push_back("boron"); BasisList["cc-pVDZ-DK"].push_back("carbon"); BasisList["cc-pVDZ-DK"].push_back("nitrogen"); BasisList["cc-pVDZ-DK"].push_back("oxygen"); BasisList["cc-pVDZ-DK"].push_back("fluorine"); BasisList["cc-pVDZ-DK"].push_back("neon"); BasisList["cc-pVDZ-DK"].push_back("aluminum"); BasisList["cc-pVDZ-DK"].push_back("silicon"); BasisList["cc-pVDZ-DK"].push_back("phosphorus"); BasisList["cc-pVDZ-DK"].push_back("sulfur"); BasisList["cc-pVDZ-DK"].push_back("chlorine"); BasisList["cc-pVDZ-DK"].push_back("argon"); BasisList["cc-pVDZ-DK"].push_back("gallium"); BasisList["cc-pVDZ-DK"].push_back("germanium"); BasisList["cc-pVDZ-DK"].push_back("arsenic"); BasisList["cc-pVDZ-DK"].push_back("selenium"); BasisList["cc-pVDZ-DK"].push_back("bromine"); BasisList["cc-pVDZ-DK"].push_back("krypton"); BasisList["cc-pVDZ"].push_back("hydrogen"); BasisList["cc-pVDZ"].push_back("helium"); BasisList["cc-pVDZ"].push_back("lithium"); BasisList["cc-pVDZ"].push_back("beryllium"); BasisList["cc-pVDZ"].push_back("boron"); BasisList["cc-pVDZ"].push_back("carbon"); BasisList["cc-pVDZ"].push_back("nitrogen"); BasisList["cc-pVDZ"].push_back("oxygen"); BasisList["cc-pVDZ"].push_back("fluorine"); BasisList["cc-pVDZ"].push_back("neon"); BasisList["cc-pVDZ"].push_back("sodium"); BasisList["cc-pVDZ"].push_back("magnesium"); BasisList["cc-pVDZ"].push_back("aluminum"); BasisList["cc-pVDZ"].push_back("silicon"); BasisList["cc-pVDZ"].push_back("phosphorus"); BasisList["cc-pVDZ"].push_back("sulfur"); BasisList["cc-pVDZ"].push_back("chlorine"); BasisList["cc-pVDZ"].push_back("argon"); BasisList["cc-pVDZ"].push_back("calcium"); BasisList["cc-pVDZ"].push_back("gallium"); BasisList["cc-pVDZ"].push_back("germanium"); BasisList["cc-pVDZ"].push_back("arsenic"); BasisList["cc-pVDZ"].push_back("selenium"); BasisList["cc-pVDZ"].push_back("bromine"); BasisList["cc-pVDZ"].push_back("krypton"); BasisList["cc-pVDZ-RI"].push_back("hydrogen"); BasisList["cc-pVDZ-RI"].push_back("helium"); BasisList["cc-pVDZ-RI"].push_back("lithium"); BasisList["cc-pVDZ-RI"].push_back("beryllium"); BasisList["cc-pVDZ-RI"].push_back("boron"); BasisList["cc-pVDZ-RI"].push_back("carbon"); BasisList["cc-pVDZ-RI"].push_back("nitrogen"); BasisList["cc-pVDZ-RI"].push_back("oxygen"); BasisList["cc-pVDZ-RI"].push_back("fluorine"); BasisList["cc-pVDZ-RI"].push_back("neon"); BasisList["cc-pVDZ-RI"].push_back("sodium"); BasisList["cc-pVDZ-RI"].push_back("magnesium"); BasisList["cc-pVDZ-RI"].push_back("aluminum"); BasisList["cc-pVDZ-RI"].push_back("silicon"); BasisList["cc-pVDZ-RI"].push_back("phosphorus"); BasisList["cc-pVDZ-RI"].push_back("sulfur"); BasisList["cc-pVDZ-RI"].push_back("chlorine"); BasisList["cc-pVDZ-RI"].push_back("argon"); BasisList["cc-pVQZ-DK"].push_back("hydrogen"); BasisList["cc-pVQZ-DK"].push_back("helium"); BasisList["cc-pVQZ-DK"].push_back("boron"); BasisList["cc-pVQZ-DK"].push_back("carbon"); BasisList["cc-pVQZ-DK"].push_back("nitrogen"); BasisList["cc-pVQZ-DK"].push_back("oxygen"); BasisList["cc-pVQZ-DK"].push_back("fluorine"); BasisList["cc-pVQZ-DK"].push_back("neon"); BasisList["cc-pVQZ-DK"].push_back("aluminum"); BasisList["cc-pVQZ-DK"].push_back("silicon"); BasisList["cc-pVQZ-DK"].push_back("phosphorus"); BasisList["cc-pVQZ-DK"].push_back("sulfur"); BasisList["cc-pVQZ-DK"].push_back("chlorine"); BasisList["cc-pVQZ-DK"].push_back("argon"); BasisList["cc-pVQZ-DK"].push_back("gallium"); BasisList["cc-pVQZ-DK"].push_back("germanium"); BasisList["cc-pVQZ-DK"].push_back("arsenic"); BasisList["cc-pVQZ-DK"].push_back("selenium"); BasisList["cc-pVQZ-DK"].push_back("bromine"); BasisList["cc-pVQZ-DK"].push_back("krypton"); BasisList["cc-pVQZ-DK"].push_back("scandium"); BasisList["cc-pVQZ-DK"].push_back("titanium"); BasisList["cc-pVQZ-DK"].push_back("vanadium"); BasisList["cc-pVQZ-DK"].push_back("chromium"); BasisList["cc-pVQZ-DK"].push_back("manganese"); BasisList["cc-pVQZ-DK"].push_back("iron"); BasisList["cc-pVQZ-DK"].push_back("cobalt"); BasisList["cc-pVQZ-DK"].push_back("nickel"); BasisList["cc-pVQZ-DK"].push_back("copper"); BasisList["cc-pVQZ-DK"].push_back("zinc"); BasisList["cc-pVQZ"].push_back("hydrogen"); BasisList["cc-pVQZ"].push_back("helium"); BasisList["cc-pVQZ"].push_back("lithium"); BasisList["cc-pVQZ"].push_back("beryllium"); BasisList["cc-pVQZ"].push_back("boron"); BasisList["cc-pVQZ"].push_back("carbon"); BasisList["cc-pVQZ"].push_back("nitrogen"); BasisList["cc-pVQZ"].push_back("oxygen"); BasisList["cc-pVQZ"].push_back("fluorine"); BasisList["cc-pVQZ"].push_back("neon"); BasisList["cc-pVQZ"].push_back("sodium"); BasisList["cc-pVQZ"].push_back("magnesium"); BasisList["cc-pVQZ"].push_back("aluminum"); BasisList["cc-pVQZ"].push_back("silicon"); BasisList["cc-pVQZ"].push_back("phosphorus"); BasisList["cc-pVQZ"].push_back("sulfur"); BasisList["cc-pVQZ"].push_back("chlorine"); BasisList["cc-pVQZ"].push_back("argon"); BasisList["cc-pVQZ"].push_back("calcium"); BasisList["cc-pVQZ"].push_back("gallium"); BasisList["cc-pVQZ"].push_back("germanium"); BasisList["cc-pVQZ"].push_back("arsenic"); BasisList["cc-pVQZ"].push_back("selenium"); BasisList["cc-pVQZ"].push_back("bromine"); BasisList["cc-pVQZ"].push_back("krypton"); BasisList["cc-pVQZ"].push_back("scandium"); BasisList["cc-pVQZ"].push_back("titanium"); BasisList["cc-pVQZ"].push_back("vanadium"); BasisList["cc-pVQZ"].push_back("chromium"); BasisList["cc-pVQZ"].push_back("manganese"); BasisList["cc-pVQZ"].push_back("iron"); BasisList["cc-pVQZ"].push_back("cobalt"); BasisList["cc-pVQZ"].push_back("nickel"); BasisList["cc-pVQZ"].push_back("copper"); BasisList["cc-pVQZ"].push_back("zinc"); BasisList["cc-pVQZ-RI"].push_back("hydrogen"); BasisList["cc-pVQZ-RI"].push_back("helium"); BasisList["cc-pVQZ-RI"].push_back("lithium"); BasisList["cc-pVQZ-RI"].push_back("beryllium"); BasisList["cc-pVQZ-RI"].push_back("boron"); BasisList["cc-pVQZ-RI"].push_back("carbon"); BasisList["cc-pVQZ-RI"].push_back("nitrogen"); BasisList["cc-pVQZ-RI"].push_back("oxygen"); BasisList["cc-pVQZ-RI"].push_back("fluorine"); BasisList["cc-pVQZ-RI"].push_back("neon"); BasisList["cc-pVQZ-RI"].push_back("sodium"); BasisList["cc-pVQZ-RI"].push_back("magnesium"); BasisList["cc-pVQZ-RI"].push_back("aluminum"); BasisList["cc-pVQZ-RI"].push_back("silicon"); BasisList["cc-pVQZ-RI"].push_back("phosphorus"); BasisList["cc-pVQZ-RI"].push_back("sulfur"); BasisList["cc-pVQZ-RI"].push_back("chlorine"); BasisList["cc-pVQZ-RI"].push_back("argon"); BasisList["cc-pVTZ-DK"].push_back("hydrogen"); BasisList["cc-pVTZ-DK"].push_back("helium"); BasisList["cc-pVTZ-DK"].push_back("boron"); BasisList["cc-pVTZ-DK"].push_back("carbon"); BasisList["cc-pVTZ-DK"].push_back("nitrogen"); BasisList["cc-pVTZ-DK"].push_back("oxygen"); BasisList["cc-pVTZ-DK"].push_back("fluorine"); BasisList["cc-pVTZ-DK"].push_back("neon"); BasisList["cc-pVTZ-DK"].push_back("aluminum"); BasisList["cc-pVTZ-DK"].push_back("silicon"); BasisList["cc-pVTZ-DK"].push_back("phosphorus"); BasisList["cc-pVTZ-DK"].push_back("sulfur"); BasisList["cc-pVTZ-DK"].push_back("chlorine"); BasisList["cc-pVTZ-DK"].push_back("argon"); BasisList["cc-pVTZ-DK"].push_back("gallium"); BasisList["cc-pVTZ-DK"].push_back("germanium"); BasisList["cc-pVTZ-DK"].push_back("arsenic"); BasisList["cc-pVTZ-DK"].push_back("selenium"); BasisList["cc-pVTZ-DK"].push_back("bromine"); BasisList["cc-pVTZ-DK"].push_back("krypton"); BasisList["cc-pVTZ-DK"].push_back("scandium"); BasisList["cc-pVTZ-DK"].push_back("titanium"); BasisList["cc-pVTZ-DK"].push_back("vanadium"); BasisList["cc-pVTZ-DK"].push_back("chromium"); BasisList["cc-pVTZ-DK"].push_back("manganese"); BasisList["cc-pVTZ-DK"].push_back("iron"); BasisList["cc-pVTZ-DK"].push_back("cobalt"); BasisList["cc-pVTZ-DK"].push_back("nickel"); BasisList["cc-pVTZ-DK"].push_back("copper"); BasisList["cc-pVTZ-DK"].push_back("zinc"); BasisList["cc-pVTZ"].push_back("hydrogen"); BasisList["cc-pVTZ"].push_back("helium"); BasisList["cc-pVTZ"].push_back("lithium"); BasisList["cc-pVTZ"].push_back("beryllium"); BasisList["cc-pVTZ"].push_back("boron"); BasisList["cc-pVTZ"].push_back("carbon"); BasisList["cc-pVTZ"].push_back("nitrogen"); BasisList["cc-pVTZ"].push_back("oxygen"); BasisList["cc-pVTZ"].push_back("fluorine"); BasisList["cc-pVTZ"].push_back("neon"); BasisList["cc-pVTZ"].push_back("sodium"); BasisList["cc-pVTZ"].push_back("magnesium"); BasisList["cc-pVTZ"].push_back("aluminum"); BasisList["cc-pVTZ"].push_back("silicon"); BasisList["cc-pVTZ"].push_back("phosphorus"); BasisList["cc-pVTZ"].push_back("sulfur"); BasisList["cc-pVTZ"].push_back("chlorine"); BasisList["cc-pVTZ"].push_back("argon"); BasisList["cc-pVTZ"].push_back("calcium"); BasisList["cc-pVTZ"].push_back("gallium"); BasisList["cc-pVTZ"].push_back("germanium"); BasisList["cc-pVTZ"].push_back("arsenic"); BasisList["cc-pVTZ"].push_back("selenium"); BasisList["cc-pVTZ"].push_back("bromine"); BasisList["cc-pVTZ"].push_back("krypton"); BasisList["cc-pVTZ"].push_back("scandium"); BasisList["cc-pVTZ"].push_back("titanium"); BasisList["cc-pVTZ"].push_back("vanadium"); BasisList["cc-pVTZ"].push_back("chromium"); BasisList["cc-pVTZ"].push_back("manganese"); BasisList["cc-pVTZ"].push_back("iron"); BasisList["cc-pVTZ"].push_back("cobalt"); BasisList["cc-pVTZ"].push_back("nickel"); BasisList["cc-pVTZ"].push_back("copper"); BasisList["cc-pVTZ"].push_back("zinc"); BasisList["cc-pVTZ-RI"].push_back("hydrogen"); BasisList["cc-pVTZ-RI"].push_back("helium"); BasisList["cc-pVTZ-RI"].push_back("lithium"); BasisList["cc-pVTZ-RI"].push_back("beryllium"); BasisList["cc-pVTZ-RI"].push_back("boron"); BasisList["cc-pVTZ-RI"].push_back("carbon"); BasisList["cc-pVTZ-RI"].push_back("nitrogen"); BasisList["cc-pVTZ-RI"].push_back("oxygen"); BasisList["cc-pVTZ-RI"].push_back("fluorine"); BasisList["cc-pVTZ-RI"].push_back("neon"); BasisList["cc-pVTZ-RI"].push_back("sodium"); BasisList["cc-pVTZ-RI"].push_back("magnesium"); BasisList["cc-pVTZ-RI"].push_back("aluminum"); BasisList["cc-pVTZ-RI"].push_back("silicon"); BasisList["cc-pVTZ-RI"].push_back("phosphorus"); BasisList["cc-pVTZ-RI"].push_back("sulfur"); BasisList["cc-pVTZ-RI"].push_back("chlorine"); BasisList["cc-pVTZ-RI"].push_back("argon"); BasisList["cc-pwCV5Z-DK"].push_back("scandium"); BasisList["cc-pwCV5Z-DK"].push_back("titanium"); BasisList["cc-pwCV5Z-DK"].push_back("vanadium"); BasisList["cc-pwCV5Z-DK"].push_back("chromium"); BasisList["cc-pwCV5Z-DK"].push_back("manganese"); BasisList["cc-pwCV5Z-DK"].push_back("iron"); BasisList["cc-pwCV5Z-DK"].push_back("cobalt"); BasisList["cc-pwCV5Z-DK"].push_back("nickel"); BasisList["cc-pwCV5Z-DK"].push_back("copper"); BasisList["cc-pwCV5Z-DK"].push_back("zinc"); BasisList["cc-pwCV5Z"].push_back("scandium"); BasisList["cc-pwCV5Z"].push_back("titanium"); BasisList["cc-pwCV5Z"].push_back("vanadium"); BasisList["cc-pwCV5Z"].push_back("chromium"); BasisList["cc-pwCV5Z"].push_back("manganese"); BasisList["cc-pwCV5Z"].push_back("iron"); BasisList["cc-pwCV5Z"].push_back("cobalt"); BasisList["cc-pwCV5Z"].push_back("nickel"); BasisList["cc-pwCV5Z"].push_back("copper"); BasisList["cc-pwCV5Z"].push_back("zinc"); BasisList["cc-pwCVQZ-DK"].push_back("scandium"); BasisList["cc-pwCVQZ-DK"].push_back("titanium"); BasisList["cc-pwCVQZ-DK"].push_back("vanadium"); BasisList["cc-pwCVQZ-DK"].push_back("chromium"); BasisList["cc-pwCVQZ-DK"].push_back("manganese"); BasisList["cc-pwCVQZ-DK"].push_back("iron"); BasisList["cc-pwCVQZ-DK"].push_back("cobalt"); BasisList["cc-pwCVQZ-DK"].push_back("nickel"); BasisList["cc-pwCVQZ-DK"].push_back("copper"); BasisList["cc-pwCVQZ-DK"].push_back("zinc"); BasisList["cc-pwCVQZ"].push_back("scandium"); BasisList["cc-pwCVQZ"].push_back("titanium"); BasisList["cc-pwCVQZ"].push_back("vanadium"); BasisList["cc-pwCVQZ"].push_back("chromium"); BasisList["cc-pwCVQZ"].push_back("manganese"); BasisList["cc-pwCVQZ"].push_back("iron"); BasisList["cc-pwCVQZ"].push_back("cobalt"); BasisList["cc-pwCVQZ"].push_back("nickel"); BasisList["cc-pwCVQZ"].push_back("copper"); BasisList["cc-pwCVQZ"].push_back("zinc"); BasisList["cc-pwCVTZ-DK"].push_back("scandium"); BasisList["cc-pwCVTZ-DK"].push_back("titanium"); BasisList["cc-pwCVTZ-DK"].push_back("vanadium"); BasisList["cc-pwCVTZ-DK"].push_back("chromium"); BasisList["cc-pwCVTZ-DK"].push_back("manganese"); BasisList["cc-pwCVTZ-DK"].push_back("iron"); BasisList["cc-pwCVTZ-DK"].push_back("cobalt"); BasisList["cc-pwCVTZ-DK"].push_back("nickel"); BasisList["cc-pwCVTZ-DK"].push_back("copper"); BasisList["cc-pwCVTZ-DK"].push_back("zinc"); BasisList["cc-pwCVTZ"].push_back("scandium"); BasisList["cc-pwCVTZ"].push_back("titanium"); BasisList["cc-pwCVTZ"].push_back("vanadium"); BasisList["cc-pwCVTZ"].push_back("chromium"); BasisList["cc-pwCVTZ"].push_back("manganese"); BasisList["cc-pwCVTZ"].push_back("iron"); BasisList["cc-pwCVTZ"].push_back("cobalt"); BasisList["cc-pwCVTZ"].push_back("nickel"); BasisList["cc-pwCVTZ"].push_back("copper"); BasisList["cc-pwCVTZ"].push_back("zinc"); BasisList["DZ(Dunning)"].push_back("hydrogen"); BasisList["DZ(Dunning)"].push_back("lithium"); BasisList["DZ(Dunning)"].push_back("boron"); BasisList["DZ(Dunning)"].push_back("carbon"); BasisList["DZ(Dunning)"].push_back("nitrogen"); BasisList["DZ(Dunning)"].push_back("oxygen"); BasisList["DZ(Dunning)"].push_back("fluorine"); BasisList["DZ(Dunning)"].push_back("neon"); BasisList["DZ(Dunning)"].push_back("aluminum"); BasisList["DZ(Dunning)"].push_back("silicon"); BasisList["DZ(Dunning)"].push_back("phosphorus"); BasisList["DZ(Dunning)"].push_back("sulfur"); BasisList["DZ(Dunning)"].push_back("chlorine"); BasisList["DZP(Dunning)"].push_back("hydrogen"); BasisList["DZP(Dunning)"].push_back("lithium"); BasisList["DZP(Dunning)"].push_back("boron"); BasisList["DZP(Dunning)"].push_back("carbon"); BasisList["DZP(Dunning)"].push_back("nitrogen"); BasisList["DZP(Dunning)"].push_back("oxygen"); BasisList["DZP(Dunning)"].push_back("fluorine"); BasisList["DZP(Dunning)"].push_back("neon"); BasisList["DZP(Dunning)"].push_back("aluminum"); BasisList["DZP(Dunning)"].push_back("silicon"); BasisList["DZP(Dunning)"].push_back("phosphorus"); BasisList["DZP(Dunning)"].push_back("sulfur"); BasisList["DZP(Dunning)"].push_back("chlorine"); BasisList["DZP+Diffuse(Dunning)"].push_back("hydrogen"); BasisList["DZP+Diffuse(Dunning)"].push_back("boron"); BasisList["DZP+Diffuse(Dunning)"].push_back("carbon"); BasisList["DZP+Diffuse(Dunning)"].push_back("nitrogen"); BasisList["DZP+Diffuse(Dunning)"].push_back("oxygen"); BasisList["DZP+Diffuse(Dunning)"].push_back("fluorine"); BasisList["DZP+Diffuse(Dunning)"].push_back("neon"); BasisList["MIDI(Huzinaga)"].push_back("hydrogen"); BasisList["MIDI(Huzinaga)"].push_back("helium"); BasisList["MIDI(Huzinaga)"].push_back("lithium"); BasisList["MIDI(Huzinaga)"].push_back("beryllium"); BasisList["MIDI(Huzinaga)"].push_back("boron"); BasisList["MIDI(Huzinaga)"].push_back("carbon"); BasisList["MIDI(Huzinaga)"].push_back("nitrogen"); BasisList["MIDI(Huzinaga)"].push_back("oxygen"); BasisList["MIDI(Huzinaga)"].push_back("fluorine"); BasisList["MIDI(Huzinaga)"].push_back("neon"); BasisList["MIDI(Huzinaga)"].push_back("sodium"); BasisList["MIDI(Huzinaga)"].push_back("aluminum"); BasisList["MIDI(Huzinaga)"].push_back("silicon"); BasisList["MIDI(Huzinaga)"].push_back("phosphorus"); BasisList["MIDI(Huzinaga)"].push_back("sulfur"); BasisList["MIDI(Huzinaga)"].push_back("chlorine"); BasisList["MIDI(Huzinaga)"].push_back("argon"); BasisList["MIDI(Huzinaga)"].push_back("potassium"); BasisList["MINI(Huzinaga)"].push_back("hydrogen"); BasisList["MINI(Huzinaga)"].push_back("helium"); BasisList["MINI(Huzinaga)"].push_back("lithium"); BasisList["MINI(Huzinaga)"].push_back("beryllium"); BasisList["MINI(Huzinaga)"].push_back("boron"); BasisList["MINI(Huzinaga)"].push_back("carbon"); BasisList["MINI(Huzinaga)"].push_back("nitrogen"); BasisList["MINI(Huzinaga)"].push_back("oxygen"); BasisList["MINI(Huzinaga)"].push_back("fluorine"); BasisList["MINI(Huzinaga)"].push_back("neon"); BasisList["MINI(Huzinaga)"].push_back("sodium"); BasisList["MINI(Huzinaga)"].push_back("magnesium"); BasisList["MINI(Huzinaga)"].push_back("aluminum"); BasisList["MINI(Huzinaga)"].push_back("silicon"); BasisList["MINI(Huzinaga)"].push_back("phosphorus"); BasisList["MINI(Huzinaga)"].push_back("sulfur"); BasisList["MINI(Huzinaga)"].push_back("chlorine"); BasisList["MINI(Huzinaga)"].push_back("argon"); BasisList["MINI(Huzinaga)"].push_back("potassium"); BasisList["MINI(Huzinaga)"].push_back("calcium"); BasisList["MINI(Scaled)"].push_back("hydrogen"); BasisList["MINI(Scaled)"].push_back("helium"); BasisList["MINI(Scaled)"].push_back("lithium"); BasisList["MINI(Scaled)"].push_back("beryllium"); BasisList["MINI(Scaled)"].push_back("boron"); BasisList["MINI(Scaled)"].push_back("carbon"); BasisList["MINI(Scaled)"].push_back("nitrogen"); BasisList["MINI(Scaled)"].push_back("oxygen"); BasisList["MINI(Scaled)"].push_back("fluorine"); BasisList["MINI(Scaled)"].push_back("neon"); BasisList["MINI(Scaled)"].push_back("sodium"); BasisList["MINI(Scaled)"].push_back("magnesium"); BasisList["MINI(Scaled)"].push_back("aluminum"); BasisList["MINI(Scaled)"].push_back("silicon"); BasisList["MINI(Scaled)"].push_back("phosphorus"); BasisList["MINI(Scaled)"].push_back("sulfur"); BasisList["MINI(Scaled)"].push_back("chlorine"); BasisList["MINI(Scaled)"].push_back("argon"); BasisList["MINI(Scaled)"].push_back("potassium"); BasisList["MINI(Scaled)"].push_back("calcium"); BasisList["NASAAmesANO"].push_back("hydrogen"); BasisList["NASAAmesANO"].push_back("boron"); BasisList["NASAAmesANO"].push_back("carbon"); BasisList["NASAAmesANO"].push_back("nitrogen"); BasisList["NASAAmesANO"].push_back("oxygen"); BasisList["NASAAmesANO"].push_back("fluorine"); BasisList["NASAAmesANO"].push_back("neon"); BasisList["NASAAmesANO"].push_back("aluminum"); BasisList["NASAAmesANO"].push_back("phosphorus"); BasisList["NASAAmesANO"].push_back("titanium"); BasisList["NASAAmesANO"].push_back("iron"); BasisList["NASAAmesANO"].push_back("nickel"); BasisList["pc-0-aug"].push_back("hydrogen"); BasisList["pc-0-aug"].push_back("carbon"); BasisList["pc-0-aug"].push_back("nitrogen"); BasisList["pc-0-aug"].push_back("oxygen"); BasisList["pc-0-aug"].push_back("fluorine"); BasisList["pc-0-aug"].push_back("silicon"); BasisList["pc-0-aug"].push_back("phosphorus"); BasisList["pc-0-aug"].push_back("sulfur"); BasisList["pc-0-aug"].push_back("chlorine"); BasisList["pc-0"].push_back("hydrogen"); BasisList["pc-0"].push_back("carbon"); BasisList["pc-0"].push_back("nitrogen"); BasisList["pc-0"].push_back("oxygen"); BasisList["pc-0"].push_back("fluorine"); BasisList["pc-0"].push_back("silicon"); BasisList["pc-0"].push_back("phosphorus"); BasisList["pc-0"].push_back("sulfur"); BasisList["pc-0"].push_back("chlorine"); BasisList["pc-1-aug"].push_back("hydrogen"); BasisList["pc-1-aug"].push_back("carbon"); BasisList["pc-1-aug"].push_back("nitrogen"); BasisList["pc-1-aug"].push_back("oxygen"); BasisList["pc-1-aug"].push_back("fluorine"); BasisList["pc-1-aug"].push_back("silicon"); BasisList["pc-1-aug"].push_back("phosphorus"); BasisList["pc-1-aug"].push_back("sulfur"); BasisList["pc-1-aug"].push_back("chlorine"); BasisList["pc-1"].push_back("hydrogen"); BasisList["pc-1"].push_back("carbon"); BasisList["pc-1"].push_back("nitrogen"); BasisList["pc-1"].push_back("oxygen"); BasisList["pc-1"].push_back("fluorine"); BasisList["pc-1"].push_back("silicon"); BasisList["pc-1"].push_back("phosphorus"); BasisList["pc-1"].push_back("sulfur"); BasisList["pc-1"].push_back("chlorine"); BasisList["pc-2-aug"].push_back("hydrogen"); BasisList["pc-2-aug"].push_back("carbon"); BasisList["pc-2-aug"].push_back("nitrogen"); BasisList["pc-2-aug"].push_back("oxygen"); BasisList["pc-2-aug"].push_back("fluorine"); BasisList["pc-2-aug"].push_back("silicon"); BasisList["pc-2-aug"].push_back("phosphorus"); BasisList["pc-2-aug"].push_back("sulfur"); BasisList["pc-2-aug"].push_back("chlorine"); BasisList["pc-2"].push_back("hydrogen"); BasisList["pc-2"].push_back("carbon"); BasisList["pc-2"].push_back("nitrogen"); BasisList["pc-2"].push_back("oxygen"); BasisList["pc-2"].push_back("fluorine"); BasisList["pc-2"].push_back("silicon"); BasisList["pc-2"].push_back("phosphorus"); BasisList["pc-2"].push_back("sulfur"); BasisList["pc-2"].push_back("chlorine"); BasisList["pc-3-aug"].push_back("hydrogen"); BasisList["pc-3-aug"].push_back("carbon"); BasisList["pc-3-aug"].push_back("nitrogen"); BasisList["pc-3-aug"].push_back("oxygen"); BasisList["pc-3-aug"].push_back("fluorine"); BasisList["pc-3-aug"].push_back("silicon"); BasisList["pc-3-aug"].push_back("phosphorus"); BasisList["pc-3-aug"].push_back("sulfur"); BasisList["pc-3-aug"].push_back("chlorine"); BasisList["pc-3"].push_back("hydrogen"); BasisList["pc-3"].push_back("carbon"); BasisList["pc-3"].push_back("nitrogen"); BasisList["pc-3"].push_back("oxygen"); BasisList["pc-3"].push_back("fluorine"); BasisList["pc-3"].push_back("silicon"); BasisList["pc-3"].push_back("phosphorus"); BasisList["pc-3"].push_back("sulfur"); BasisList["pc-3"].push_back("chlorine"); BasisList["pc-4-aug"].push_back("hydrogen"); BasisList["pc-4-aug"].push_back("carbon"); BasisList["pc-4-aug"].push_back("nitrogen"); BasisList["pc-4-aug"].push_back("oxygen"); BasisList["pc-4-aug"].push_back("fluorine"); BasisList["pc-4-aug"].push_back("silicon"); BasisList["pc-4-aug"].push_back("phosphorus"); BasisList["pc-4-aug"].push_back("sulfur"); BasisList["pc-4-aug"].push_back("chlorine"); BasisList["pc-4"].push_back("hydrogen"); BasisList["pc-4"].push_back("carbon"); BasisList["pc-4"].push_back("nitrogen"); BasisList["pc-4"].push_back("oxygen"); BasisList["pc-4"].push_back("fluorine"); BasisList["pc-4"].push_back("silicon"); BasisList["pc-4"].push_back("phosphorus"); BasisList["pc-4"].push_back("sulfur"); BasisList["pc-4"].push_back("chlorine"); BasisList["STO-2G"].push_back("hydrogen"); BasisList["STO-2G"].push_back("helium"); BasisList["STO-2G"].push_back("lithium"); BasisList["STO-2G"].push_back("beryllium"); BasisList["STO-2G"].push_back("boron"); BasisList["STO-2G"].push_back("carbon"); BasisList["STO-2G"].push_back("nitrogen"); BasisList["STO-2G"].push_back("oxygen"); BasisList["STO-2G"].push_back("fluorine"); BasisList["STO-2G"].push_back("neon"); BasisList["STO-2G"].push_back("sodium"); BasisList["STO-2G"].push_back("magnesium"); BasisList["STO-2G"].push_back("aluminum"); BasisList["STO-2G"].push_back("silicon"); BasisList["STO-2G"].push_back("phosphorus"); BasisList["STO-2G"].push_back("sulfur"); BasisList["STO-2G"].push_back("chlorine"); BasisList["STO-2G"].push_back("argon"); BasisList["STO-2G"].push_back("potassium"); BasisList["STO-2G"].push_back("calcium"); BasisList["STO-3G"].push_back("hydrogen"); BasisList["STO-3G"].push_back("helium"); BasisList["STO-3G"].push_back("lithium"); BasisList["STO-3G"].push_back("beryllium"); BasisList["STO-3G"].push_back("boron"); BasisList["STO-3G"].push_back("carbon"); BasisList["STO-3G"].push_back("nitrogen"); BasisList["STO-3G"].push_back("oxygen"); BasisList["STO-3G"].push_back("fluorine"); BasisList["STO-3G"].push_back("neon"); BasisList["STO-3G"].push_back("sodium"); BasisList["STO-3G"].push_back("magnesium"); BasisList["STO-3G"].push_back("aluminum"); BasisList["STO-3G"].push_back("silicon"); BasisList["STO-3G"].push_back("phosphorus"); BasisList["STO-3G"].push_back("sulfur"); BasisList["STO-3G"].push_back("chlorine"); BasisList["STO-3G"].push_back("argon"); BasisList["STO-3G"].push_back("potassium"); BasisList["STO-3G"].push_back("calcium"); BasisList["STO-3G"].push_back("scandium"); BasisList["STO-3G"].push_back("titanium"); BasisList["STO-3G"].push_back("vanadium"); BasisList["STO-3G"].push_back("chromium"); BasisList["STO-3G"].push_back("manganese"); BasisList["STO-3G"].push_back("iron"); BasisList["STO-3G"].push_back("cobalt"); BasisList["STO-3G"].push_back("nickel"); BasisList["STO-3G"].push_back("copper"); BasisList["STO-3G"].push_back("zinc"); BasisList["STO-3G"].push_back("gallium"); BasisList["STO-3G"].push_back("germanium"); BasisList["STO-3G"].push_back("arsenic"); BasisList["STO-3G"].push_back("selenium"); BasisList["STO-3G"].push_back("bromine"); BasisList["STO-3G"].push_back("krypton"); BasisList["STO-3G*"].push_back("hydrogen"); BasisList["STO-3G*"].push_back("helium"); BasisList["STO-3G*"].push_back("lithium"); BasisList["STO-3G*"].push_back("beryllium"); BasisList["STO-3G*"].push_back("boron"); BasisList["STO-3G*"].push_back("carbon"); BasisList["STO-3G*"].push_back("nitrogen"); BasisList["STO-3G*"].push_back("oxygen"); BasisList["STO-3G*"].push_back("fluorine"); BasisList["STO-3G*"].push_back("neon"); BasisList["STO-3G*"].push_back("sodium"); BasisList["STO-3G*"].push_back("magnesium"); BasisList["STO-3G*"].push_back("aluminum"); BasisList["STO-3G*"].push_back("silicon"); BasisList["STO-3G*"].push_back("phosphorus"); BasisList["STO-3G*"].push_back("sulfur"); BasisList["STO-3G*"].push_back("chlorine"); BasisList["STO-3G*"].push_back("argon"); BasisList["STO-6G"].push_back("hydrogen"); BasisList["STO-6G"].push_back("helium"); BasisList["STO-6G"].push_back("lithium"); BasisList["STO-6G"].push_back("beryllium"); BasisList["STO-6G"].push_back("boron"); BasisList["STO-6G"].push_back("carbon"); BasisList["STO-6G"].push_back("nitrogen"); BasisList["STO-6G"].push_back("oxygen"); BasisList["STO-6G"].push_back("fluorine"); BasisList["STO-6G"].push_back("neon"); BasisList["STO-6G"].push_back("sodium"); BasisList["STO-6G"].push_back("magnesium"); BasisList["STO-6G"].push_back("aluminum"); BasisList["STO-6G"].push_back("silicon"); BasisList["STO-6G"].push_back("phosphorus"); BasisList["STO-6G"].push_back("sulfur"); BasisList["STO-6G"].push_back("chlorine"); BasisList["STO-6G"].push_back("argon"); BasisList["STO-6G"].push_back("potassium"); BasisList["STO-6G"].push_back("calcium"); BasisList["STO-6G"].push_back("scandium"); BasisList["STO-6G"].push_back("titanium"); BasisList["STO-6G"].push_back("vanadium"); BasisList["STO-6G"].push_back("chromium"); BasisList["STO-6G"].push_back("manganese"); BasisList["STO-6G"].push_back("iron"); BasisList["STO-6G"].push_back("cobalt"); BasisList["STO-6G"].push_back("nickel"); BasisList["STO-6G"].push_back("copper"); BasisList["STO-6G"].push_back("zinc"); BasisList["STO-6G"].push_back("gallium"); BasisList["STO-6G"].push_back("germanium"); BasisList["STO-6G"].push_back("arsenic"); BasisList["STO-6G"].push_back("selenium"); BasisList["STO-6G"].push_back("bromine"); BasisList["STO-6G"].push_back("krypton"); BasisList["TZ(Dunning)"].push_back("hydrogen"); BasisList["TZ(Dunning)"].push_back("lithium"); BasisList["TZ(Dunning)"].push_back("beryllium"); BasisList["TZ(Dunning)"].push_back("boron"); BasisList["TZ(Dunning)"].push_back("carbon"); BasisList["TZ(Dunning)"].push_back("nitrogen"); BasisList["TZ(Dunning)"].push_back("oxygen"); BasisList["TZ(Dunning)"].push_back("fluorine"); BasisList["TZ(Dunning)"].push_back("neon"); }