%BASIS "MIDI (Huzinaga)" CARTESIAN basis:( %S. HUZINAGA, ED.,J. ANDZELM, M. KLOBUKOWSKI, E. RADZIO-ANDZELM, Y. SAKAI, % H. TATEWAKI IN GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS: % ELSEVIER, AMSTERDAM, 1984. % % % BASIS SET: (3S) -> [2S] hydrogen: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 4.501800000 0.07045200 0.681444000 0.40782600 }) (type: [am = s] {exp coef:0} = { 0.151398000 1.00000000 }) ] % % BASIS SET: (3S) -> [1S] helium: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 13.626736000 0.08024100 1.999349000 0.40914300 }) (type: [am = s] {exp coef:0} = { 0.382993000 0.65727800 }) ] % % BASIS SET: (6S) -> [3S] lithium: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 35.046150000 0.07376000 5.201690000 0.39747100 1.056240000 0.66509200 }) (type: [am = s] {exp coef:0} = { 0.715170000 -0.09397000 0.070530000 0.57010000 }) (type: [am = s] {exp coef:0} = { 0.027350000 1.00000000 }) ] % % BASIS SET: (6S) -> [3S] beryllium: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 66.953540000 0.07020000 9.939290000 0.39191000 2.057130000 0.66997000 }) (type: [am = s] {exp coef:0} = { 1.912210000 -0.08282000 0.161320000 0.55755300 }) (type: [am = s] {exp coef:0} = { 0.055240000 1.00000000 }) ] % % BASIS SET: (6S,3P) -> [3S,2P] boron: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 108.437040000 0.06865100 16.120560000 0.38993300 3.373430000 0.67139500 }) (type: [am = s] {exp coef:0} = { 3.566500000 -0.08241900 0.295470000 0.55906400 }) (type: [am = s] {exp coef:0} = { 0.098050000 1.00000000 }) (type: [am = p] {exp coef:0} = { 2.572072000 0.10590000 0.516940000 0.45718000 }) (type: [am = p] {exp coef:0} = { 0.123140000 1.00000000 }) ] % % BASIS SET: (6S,3P) -> [3S,2P] carbon: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 153.172260000 0.07074000 23.073030000 0.39538000 4.923290000 0.66331100 }) (type: [am = s] {exp coef:0} = { 5.725570000 -0.08138000 0.455040000 0.57485300 }) (type: [am = s] {exp coef:0} = { 0.147070000 1.00000000 }) (type: [am = p] {exp coef:0} = { 4.251310000 0.10993100 0.863270000 0.46271300 }) (type: [am = p] {exp coef:0} = { 0.201350000 1.00000000 }) ] % % BASIS SET: (6S,3P) -> [3S,2P] nitrogen: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 218.364490000 0.06787000 32.598890000 0.39020200 6.917390000 0.67008300 }) (type: [am = s] {exp coef:0} = { 8.326380000 -0.08089000 0.659190000 0.56720200 }) (type: [am = s] {exp coef:0} = { 0.210090000 1.00000000 }) (type: [am = p] {exp coef:0} = { 6.120350000 0.11591900 1.259380000 0.46995800 }) (type: [am = p] {exp coef:0} = { 0.291450000 1.00000000 }) ] % % BASIS SET: (6S,3P) -> [3S,2P] oxygen: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 281.866580000 0.06906000 42.416000000 0.39315900 9.095620000 0.66566900 }) (type: [am = s] {exp coef:0} = { 11.466030000 -0.08082000 0.887860000 0.58209000 }) (type: [am = s] {exp coef:0} = { 0.278800000 1.00000000 }) (type: [am = p] {exp coef:0} = { 8.047240000 0.12427100 1.668420000 0.47659400 }) (type: [am = p] {exp coef:0} = { 0.372510000 1.00000000 }) ] % % BASIS SET: (6S,3P) -> [3S,2P] fluorine: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 368.371120000 0.06704000 55.061060000 0.38924900 11.747670000 0.67078800 }) (type: [am = s] {exp coef:0} = { 15.151840000 -0.08055000 1.151370000 0.58772900 }) (type: [am = s] {exp coef:0} = { 0.358110000 1.00000000 }) (type: [am = p] {exp coef:0} = { 10.577070000 0.12627000 2.194980000 0.47794800 }) (type: [am = p] {exp coef:0} = { 0.479370000 1.00000000 }) ] % % BASIS SET: (6S,3P) -> [3S,2P] neon: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 456.952850000 0.06691000 68.365430000 0.38934900 14.619760000 0.67051800 }) (type: [am = s] {exp coef:0} = { 19.327190000 -0.08025000 1.441820000 0.59529800 }) (type: [am = s] {exp coef:0} = { 0.444080000 1.00000000 }) (type: [am = p] {exp coef:0} = { 13.352520000 0.12884000 2.779470000 0.48044100 }) (type: [am = p] {exp coef:0} = { 0.600970000 1.00000000 }) ] % % BASIS SET: (9S,3P) -> [4S,1P] sodium: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 542.760530000 0.06841000 81.959470000 0.39209200 17.723770000 0.66608400 }) (type: [am = s] {exp coef:0} = { 23.280420000 -0.08380100 1.868340000 0.58279400 0.623250000 0.49247400 }) (type: [am = s] {exp coef:0} = { 0.506730000 -0.11576200 0.053510000 0.69586300 }) (type: [am = s] {exp coef:0} = { 0.020800000 1.00000000 }) (type: [am = p] {exp coef:0} = { 17.836360000 0.12571000 3.795690000 0.48046100 0.877510000 0.60228100 }) ] % % BASIS SET: (9S,6P) -> [4S,3P] aluminum: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 777.443340000 0.06688700 117.231530000 0.38776800 25.376297000 0.67070300 }) (type: [am = s] {exp coef:0} = { 33.356253000 -0.08895600 2.801315000 0.60106100 1.022733000 0.46878600 }) (type: [am = s] {exp coef:0} = { 1.329188000 -0.15138900 0.161663000 0.65938600 }) (type: [am = s] {exp coef:0} = { 0.058989000 1.00000000 }) (type: [am = p] {exp coef:0} = { 30.569580000 0.11235300 6.644701000 0.46746700 1.654395000 0.60978200 }) (type: [am = p] {exp coef:0} = { 0.044652000 0.39647000 0.299651000 0.22643300 }) (type: [am = p] {exp coef:0} = { 0.115848000 1.00000000 }) ] % % BASIS SET: (9S,6P) -> [4S,3P] silicon: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 909.234870000 0.06640500 137.124560000 0.38622200 29.714810000 0.67224000 }) (type: [am = s] {exp coef:0} = { 39.129423000 -0.09099900 3.335981000 0.61161500 1.251259000 0.45686000 }) (type: [am = s] {exp coef:0} = { 1.803101000 -0.16873300 0.226389000 0.67545300 }) (type: [am = s] {exp coef:0} = { 0.082396000 1.00000000 }) (type: [am = p] {exp coef:0} = { 37.881761000 0.10875300 8.304598000 0.46351500 2.120792000 0.61133400 }) (type: [am = p] {exp coef:0} = { 0.447802000 0.23891300 0.062362000 0.34545300 }) (type: [am = p] {exp coef:0} = { 0.170838000 1.00000000 }) ] % % BASIS SET: (9S,6P) -> [4S,3P] phosphorus: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 1053.265800000 0.06586500 158.790440000 0.38457800 34.424407000 0.67396300 }) (type: [am = s] {exp coef:0} = { 45.450380000 -0.09265500 3.899926000 0.62651300 1.488507000 0.44103900 }) (type: [am = s] {exp coef:0} = { 2.300841000 -0.18054900 0.298959000 0.68095200 }) (type: [am = s] {exp coef:0} = { 0.108854000 1.00000000 }) (type: [am = p] {exp coef:0} = { 46.100019000 0.10538800 10.165057000 0.45971200 2.644794000 0.61371400 }) (type: [am = p] {exp coef:0} = { 0.632686000 0.23588500 0.240219000 0.55416000 }) (type: [am = p] {exp coef:0} = { 0.086447000 1.00000000 }) ] % % BASIS SET: (9S,6P) -> [4S,3P] sulfur: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 1201.458400000 0.06576500 181.392120000 0.38394800 39.404795000 0.67437200 }) (type: [am = s] {exp coef:0} = { 52.139030000 -0.09423200 4.528799000 0.63546800 1.754938000 0.43150600 }) (type: [am = s] {exp coef:0} = { 2.840437000 0.19004200 0.381433000 -0.68552700 }) (type: [am = s] {exp coef:0} = { 0.138786000 1.00000000 }) (type: [am = p] {exp coef:0} = { 54.644071000 0.10367300 12.122902000 0.45819000 3.206504000 0.61340000 }) (type: [am = p] {exp coef:0} = { 0.863274000 0.22943600 0.108679000 0.35370000 }) (type: [am = p] {exp coef:0} = { 0.318130000 1.00000000 }) ] % % BASIS SET: (9S,6P) -> [4S,3P] chlorine: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 1362.022000000 0.06554400 205.811100000 0.38298700 44.772167000 0.67521000 }) (type: [am = s] {exp coef:0} = { 59.225732000 -0.09562000 5.213902000 0.64142600 2.047346000 0.42515300 }) (type: [am = s] {exp coef:0} = { 3.419712000 0.19640100 0.470017000 -0.69236000 }) (type: [am = s] {exp coef:0} = { 0.169958000 1.00000000 }) (type: [am = p] {exp coef:0} = { 64.099958000 0.10178900 14.287139000 0.45610700 3.828135000 0.61428200 }) (type: [am = p] {exp coef:0} = { 1.095126000 0.23590300 0.132176000 0.34660000 }) (type: [am = p] {exp coef:0} = { 0.396004000 1.00000000 }) ] % % BASIS SET: (9S,6P) -> [4S,3P] argon: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 1536.932500000 0.06515900 232.177650000 0.38180700 50.521685000 0.67644600 }) (type: [am = s] {exp coef:0} = { 66.933949000 -0.09674000 5.918552000 0.65274900 2.339342000 0.41357300 }) (type: [am = s] {exp coef:0} = { 4.045307000 0.20073600 0.565701000 -0.69626800 }) (type: [am = s] {exp coef:0} = { 0.204065000 1.00000000 }) (type: [am = p] {exp coef:0} = { 74.352915000 0.10007900 16.631346000 0.45422600 4.503927000 0.61525000 }) (type: [am = p] {exp coef:0} = { 1.357091000 0.23727600 0.488113000 0.55836000 }) (type: [am = p] {exp coef:0} = { 0.162126000 1.00000000 }) ] % % BASIS SET: (12S,6P) -> [5S,2P] potassium: "MIDI (Huzinaga)": [ (type: [am = s] {exp coef:0} = { 1721.175500000 0.06487500 260.016330000 0.38085900 56.624554000 0.67736800 }) (type: [am = s] {exp coef:0} = { 75.055600000 -0.09787300 6.691163000 0.65956000 2.667166000 0.40652900 }) (type: [am = s] {exp coef:0} = { 4.668937000 -0.21293000 0.700013000 0.68924900 0.275334000 0.43392500 }) (type: [am = s] {exp coef:0} = { 0.252312000 -0.15298000 0.037631000 0.68172800 }) (type: [am = s] {exp coef:0} = { 0.016218000 0.41448300 }) (type: [am = p] {exp coef:0} = { 85.789846000 0.09803500 19.254794000 0.45104100 5.268624000 0.61770800 }) (type: [am = p] {exp coef:0} = { 1.683145000 0.23863600 0.625809000 0.57105700 0.223898000 0.31653600 }) ] )