%BASIS "STO-2G" CARTESIAN basis:( %Elements References %-------- ---------- % H - He: W.J. Hehre, R.F. Stewart and J.A. Pople, J. Chem. Phys. 2657 (1969). %Li - Ne: %Na - Ar: W.J. Hehre, R. Ditchfield, R.F. Stewart, J.A. Pople, J. Chem. Phys. % K - Kr: 52, 2769 (1970). % % % BASIS SET: (2S) -> [1S] hydrogen: "STO-2G": [ (type: [am = s] {exp coef:0} = { 1.309756377 0.43012850 0.233135974 0.67891353 }) ] % % BASIS SET: (2S) -> [1S] helium: "STO-2G": [ (type: [am = s] {exp coef:0} = { 2.432879000 0.43012800 0.433051000 0.67891400 }) ] % % BASIS SET: (4S,2P) -> [2S,1P] lithium: "STO-2G": [ (type: [am = s] {exp coef:0} = { 6.163845000 0.43012800 1.097161000 0.67891400 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 0.245916000 0.04947200 0.51154100 0.062371000 0.96378200 0.61282000 }) ] % % BASIS SET: (4S,2P) -> [2S,1P] beryllium: "STO-2G": [ (type: [am = s] {exp coef:0} = { 11.535669000 0.43012800 2.053343000 0.67891400 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 0.508163000 0.04947200 0.51154100 0.128884000 0.96378200 0.61282000 }) ] % % BASIS SET: (4S,2P) -> [2S,1P] boron: "STO-2G": [ (type: [am = s] {exp coef:0} = { 18.656873000 0.43012800 3.320914000 0.67891400 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 0.864550000 0.04947200 0.51154100 0.219273000 0.96378200 0.61282000 }) ] % % BASIS SET: (4S,2P) -> [2S,1P] carbon: "STO-2G": [ (type: [am = s] {exp coef:0} = { 27.385033030 0.43012850 4.874522052 0.67891353 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 1.136748189 0.04947177 0.51154071 0.288309360 0.96378241 0.61281990 }) ] % % BASIS SET: (4S,2P) -> [2S,1P] nitrogen: "STO-2G": [ (type: [am = s] {exp coef:0} = { 37.896475000 0.43012800 6.745554000 0.67891400 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 1.461089000 0.04947200 0.51154100 0.370571000 0.96378200 0.61282000 }) ] % % BASIS SET: (4S,2P) -> [2S,1P] oxygen: "STO-2G": [ (type: [am = s] {exp coef:0} = { 49.980971000 0.43012800 8.896588000 0.67891400 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 1.945237000 0.04947200 0.51154100 0.493363000 0.96378200 0.61282000 }) ] % % BASIS SET: (4S,2P) -> [2S,1P] fluorine: "STO-2G": [ (type: [am = s] {exp coef:0} = { 63.735202000 0.43012800 11.344834000 0.67891400 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 2.498548000 0.04947200 0.51154100 0.633698000 0.96378200 0.61282000 }) ] % % BASIS SET: (4S,2P) -> [2S,1P] neon: "STO-2G": [ (type: [am = s] {exp coef:0} = { 79.159168000 0.43012800 14.090292000 0.67891400 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 3.187076000 0.04947200 0.51154100 0.808327000 0.96378200 0.61282000 }) ] % % BASIS SET: (6S,4P) -> [3S,2P] sodium: "STO-2G": [ (type: [am = s] {exp coef:0} = { 95.891016000 0.43012800 17.068552000 0.67891400 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 4.653352000 0.04947200 0.51154100 1.180213000 0.96378200 0.61282000 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 0.284005000 -0.29839900 0.34804700 0.097439000 1.22798300 0.72225200 }) ] % % BASIS SET: (6S,4P) -> [3S,2P] magnesium: "STO-2G": [ (type: [am = s] {exp coef:0} = { 114.423183000 0.43012800 20.367269000 0.67891400 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 5.844355000 0.04947200 0.51154100 1.482283000 0.96378200 0.61282000 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 0.317815000 -0.29839900 0.34804700 0.109039000 1.22798300 0.72225200 }) ] % % BASIS SET: (6S,4P) -> [3S,2P] aluminum: "STO-2G": [ (type: [am = s] {exp coef:0} = { 134.377461000 0.43012800 23.919120000 0.67891400 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 7.304330000 0.04947200 0.51154100 1.852571000 0.96378200 0.61282000 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 0.374787000 -0.29839900 0.34804700 0.128586000 1.22798300 0.72225200 }) ] % % BASIS SET: (6S,4P) -> [3S,2P] silicon: "STO-2G": [ (type: [am = s] {exp coef:0} = { 155.934691000 0.43012800 27.756296000 0.67891400 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 8.963996000 0.04947200 0.51154100 2.273506000 0.96378200 0.61282000 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 0.466035000 -0.29839900 0.34804700 0.159892000 1.22798300 0.72225200 }) ] % % BASIS SET: (6S,4P) -> [3S,2P] phosphorus: "STO-2G": [ (type: [am = s] {exp coef:0} = { 179.094874000 0.43012800 31.878797000 0.67891400 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 10.834189000 0.04947200 0.51154100 2.747837000 0.96378200 0.61282000 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 0.587291000 -0.29839900 0.34804700 0.201494000 1.22798300 0.72225200 }) ] % % BASIS SET: (6S,4P) -> [3S,2P] sulfur: "STO-2G": [ (type: [am = s] {exp coef:0} = { 203.858009000 0.43012800 36.286623000 0.67891400 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 12.881443000 0.04947200 0.51154100 3.267074000 0.96378200 0.61282000 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 0.722553000 -0.29839900 0.34804700 0.247901000 1.22798300 0.72225200 }) ] % % BASIS SET: (6S,4P) -> [3S,2P] chlorine: "STO-2G": [ (type: [am = s] {exp coef:0} = { 229.944104000 0.43012800 40.929935000 0.67891400 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 15.057610000 0.04947200 0.51154100 3.819008000 0.96378200 0.61282000 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 0.888346000 -0.29839900 0.34804700 0.304783000 1.22798300 0.72225200 }) ] % % BASIS SET: (6S,4P) -> [3S,2P] argon: "STO-2G": [ (type: [am = s] {exp coef:0} = { 257.896619000 0.43012800 45.905468000 0.67891400 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 17.455294000 0.04947200 0.51154100 4.427124000 0.96378200 0.61282000 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 1.053093000 -0.29839900 0.34804700 0.361306000 1.22798300 0.72225200 }) ] % % BASIS SET: (8S,6P) -> [4S,3P] potassium: "STO-2G": [ (type: [am = s] {exp coef:0} = { 295.012146500 0.43012850 52.512013370 0.67891353 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 20.252592390 0.04947177 0.51154071 5.136592224 0.96378241 0.61281990 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 1.466966455 -0.29839860 0.34804719 0.503301550 1.22798289 0.72225232 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 0.254048142 -0.66156030 0.13098905 0.102239820 1.51075413 0.89464313 }) ] % % BASIS SET: (8S,6P) -> [4S,3P] calcium: "STO-2G": [ (type: [am = s] {exp coef:0} = { 326.567172700 0.43012850 58.128792110 0.67891353 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 23.019151020 0.04947177 0.51154071 5.838264545 0.96378241 0.61281990 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 1.757469459 -0.29839860 0.34804719 0.602970232 1.22798289 0.72225232 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 0.229785047 -0.66156030 0.13098905 0.092475315 1.51075413 0.89464313 }) ] )