%BASIS "STO-6G" SPHERICAL basis:( %Elements References %-------- ---------- % H - Ne: W.J. Hehre, R.F. Stewart and J.A. Pople, J. Chem. Phys. 51, 2657 % (1969). %Na - Ar: W.J. Hehre, R. Ditchfield, R.F. Stewart and J.A. Pople, % J. Chem. Phys. 52, 2769 (1970). % % % BASIS SET: (6S) -> [1S] hydrogen: "STO-6G": [ (type: [am = s] {exp coef:0} = { 35.523221220 0.00916360 6.513143725 0.04936149 1.822142904 0.16853830 0.625955266 0.37056280 0.243076747 0.41649153 0.100112428 0.13033408 }) ] % % BASIS SET: (6S) -> [1S] helium: "STO-6G": [ (type: [am = s] {exp coef:0} = { 65.984568240 0.00916360 12.098198360 0.04936149 3.384639924 0.16853830 1.162715163 0.37056280 0.451516322 0.41649153 0.185959356 0.13033408 }) ] % % BASIS SET: (12S,6P) -> [2S,1P] lithium: "STO-6G": [ (type: [am = s] {exp coef:0} = { 167.175846200 0.00916360 30.651508400 0.04936149 8.575187477 0.16853830 2.945808337 0.37056280 1.143943581 0.41649153 0.471139139 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 6.597563981 -0.01325279 0.00375970 1.305830092 -0.04699171 0.03767937 0.405851019 -0.03378537 0.17389674 0.156145516 0.25024179 0.41803643 0.067814104 0.59511725 0.42585955 0.031084166 0.24070618 0.10170830 }) ] % % BASIS SET: (12S,6P) -> [2S,1P] beryllium: "STO-6G": [ (type: [am = s] {exp coef:0} = { 312.870493700 0.00916360 57.364462530 0.04936149 16.048509400 0.16853830 5.513096119 0.37056280 2.140896553 0.41649153 0.881739428 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 13.633247440 -0.01325279 0.00375970 2.698375464 -0.04699171 0.03767937 0.838653083 -0.03378537 0.17389674 0.322660070 0.25024179 0.41803643 0.140131488 0.59511725 0.42585955 0.064232514 0.24070618 0.10170830 }) ] % % BASIS SET: (12S,6P) -> [2S,1P] boron: "STO-6G": [ (type: [am = s] {exp coef:0} = { 1355.584234000 0.00916360 248.544885500 0.04936149 69.533902290 0.16853830 23.886772110 0.37056280 9.275932609 0.41649153 3.820341298 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 52.187761960 -0.01325279 0.00375970 10.329320060 -0.04699171 0.03767937 3.210344977 -0.03378537 0.17389674 1.235135428 0.25024179 0.41803643 5.364201581 0.59511725 0.42585955 0.245880606 0.24070618 0.10170830 }) ] % % BASIS SET: (12S,6P) -> [2S,1P] carbon: "STO-6G": [ (type: [am = s] {exp coef:0} = { 742.737049100 0.00916360 136.180024900 0.04936149 38.098263520 0.16853830 13.087781770 0.37056280 5.082368648 0.41649153 2.093200076 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 30.497239500 -0.01325279 0.00375970 6.036199601 -0.04699171 0.03767937 1.876046337 -0.03378537 0.17389674 0.721782647 0.25024179 0.41803643 0.313470695 0.59511725 0.42585955 0.143686555 0.24070618 0.10170830 }) ] % % BASIS SET: (12S,6P) -> [2S,1P] nitrogen: "STO-6G": [ (type: [am = s] {exp coef:0} = { 1027.828458000 0.00916360 188.451222600 0.04936149 52.721860970 0.16853830 18.111382170 0.37056280 7.033179691 0.41649153 2.896651794 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 39.198807870 -0.01325279 0.00375970 7.758467071 -0.04699171 0.03767937 2.411325783 -0.03378537 0.17389674 0.927723944 0.25024179 0.41803643 0.402911141 0.59511725 0.42585955 0.184683655 0.24070618 0.10170830 }) ] % % BASIS SET: (12S,6P) -> [2S,1P] oxygen: "STO-6G": [ (type: [am = s] {exp coef:0} = { 1355.584234000 0.00916360 248.544885500 0.04936149 69.533902290 0.16853830 23.886772110 0.37056280 9.275932609 0.41649153 3.820341298 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 52.187761960 -0.01325279 0.00375970 10.329320060 -0.04699171 0.03767937 3.210344977 -0.03378537 0.17389674 1.235135428 0.25024179 0.41803643 0.536420158 0.59511725 0.42585955 0.245880606 0.24070618 0.10170830 }) ] % % BASIS SET: (12S,6P) -> [2S,1P] fluorine: "STO-6G": [ (type: [am = s] {exp coef:0} = { 1728.626574000 0.00916360 316.941790000 0.04936149 88.668891390 0.16853830 30.460157310 0.37056280 11.828570440 0.41649153 4.871658522 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 67.032280910 -0.01325279 0.00375970 13.267437770 -0.04699171 0.03767937 4.123509771 -0.03378537 0.17389674 1.586462839 0.25024179 0.41803643 0.689001892 0.59511725 0.42585955 0.315819978 0.24070618 0.10170830 }) ] % % BASIS SET: (12S,6P) -> [2S,1P] neon: "STO-6G": [ (type: [am = s] {exp coef:0} = { 2146.955475000 0.00916360 393.641936200 0.04936149 110.126828300 0.16853830 37.831537770 0.37056280 14.691093180 0.41649153 6.050603466 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 85.504429190 -0.01325279 0.00375970 16.923557990 -0.04699171 0.03767937 5.259829210 -0.03378537 0.17389674 2.023645885 0.25024179 0.41803643 0.878870787 0.59511725 0.42585955 0.402850785 0.24070618 0.10170830 }) ] % % BASIS SET: (18S,12P) -> [3S,2P] sodium: "STO-6G": [ (type: [am = s] {exp coef:0} = { 2600.756771000 0.00916360 476.845907100 0.04936149 133.404301000 0.16853830 45.827977880 0.37056280 17.796344870 0.41649153 7.329517596 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 124.842404400 -0.01325279 0.00375970 24.709569920 -0.04699171 0.03767937 7.679715913 -0.03378537 0.17389674 2.954663523 0.25024179 0.41803643 1.283212382 0.59511725 0.42585955 0.588190122 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 9.433006047 -0.00794313 -0.00713936 2.526243756 -0.07100264 -0.01829277 0.947368250 -0.17850269 0.07621621 0.424059444 0.15106351 0.41450986 0.209845408 0.73549148 0.48896215 0.108147094 0.27605931 0.10588165 }) ] % % BASIS SET: (18S,12P) -> [3S,2P] magnesium: "STO-6G": [ (type: [am = s] {exp coef:0} = { 2600.756771000 0.00916360 476.845907100 0.04936149 133.404301000 0.16853830 45.827977880 0.37056280 17.796344870 0.41649153 7.329517596 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 124.842404400 -0.01325279 0.00375970 24.709569920 -0.04699171 0.03767937 7.679715913 -0.03378537 0.17389674 2.954663523 0.25024179 0.41803643 1.283212382 0.59511725 0.42585955 0.588190122 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 9.433006047 -0.00794313 -0.00713936 2.526243756 -0.07100264 -0.01829277 0.947368250 -0.17850269 0.07621621 0.424059444 0.15106351 0.41450986 0.209845408 0.73549148 0.48896215 0.108147094 0.27605931 0.10588165 }) ] % % BASIS SET: (18S,12P) -> [3S,2P] aluminum: "STO-6G": [ (type: [am = s] {exp coef:0} = { 3644.586388000 0.00916360 668.230924800 0.04936149 186.946932100 0.16853830 64.221316750 0.37056280 24.939016600 0.41649153 10.271264260 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 195.964144100 -0.01325279 0.00375970 38.786418310 -0.04699171 0.03767937 12.054789900 -0.03378537 0.17389674 4.637912184 0.25024179 0.41803643 2.014248422 0.59511725 0.42585955 0.923277426 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 8.901677544 -0.00794313 -0.00713936 2.383949209 -0.07100264 -0.01829277 0.894006284 -0.17850269 0.07621621 0.400173646 0.15106351 0.41450986 0.198025544 0.73549148 0.48896215 0.102055544 0.27605931 0.10588165 }) ] % % BASIS SET: (18S,12P) -> [3S,2P] silicon: "STO-6G": [ (type: [am = s] {exp coef:0} = { 4229.261737000 0.00916360 775.430510000 0.04936149 216.937512900 0.16853830 74.523890690 0.37056280 28.939807550 0.41649153 11.919010910 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 240.490484900 -0.01325279 0.00375970 47.599343180 -0.04699171 0.03767937 14.793840380 -0.03378537 0.17389674 5.691723632 0.25024179 0.41803643 2.471919452 0.59511725 0.42585955 1.133061545 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 9.433006047 -0.00794313 -0.00713936 2.526243756 -0.07100264 -0.01829277 0.947368251 -0.17850269 0.07621621 0.424059444 0.15106351 0.41450986 0.209845408 0.73549148 0.48896215 0.108147094 0.27605931 0.10588165 }) ] % % BASIS SET: (18S,12P) -> [3S,2P] phosphorus: "STO-6G": [ (type: [am = s] {exp coef:0} = { 4857.412371000 0.00916360 890.601241000 0.04936149 249.158133100 0.16853830 85.592543350 0.37056280 33.238089270 0.41649153 13.689280690 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 290.664959000 -0.01325279 0.00375970 57.530181030 -0.04699171 0.03767937 17.880337380 -0.03378537 0.17389674 6.879210280 0.25024179 0.41803643 2.987645712 0.59511725 0.42585955 1.369456623 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 11.119396520 -0.00794313 -0.00713936 2.977874272 -0.07100264 -0.01829277 1.116734493 -0.17850269 0.07621621 0.499870887 0.15106351 0.41450986 0.247360628 0.73549148 0.48896215 0.127481146 0.27605931 0.10588165 }) ] % % BASIS SET: (18S,12P) -> [3S,2P] sulfur: "STO-6G": [ (type: [am = s] {exp coef:0} = { 5529.038289000 0.00916360 1013.743118000 0.04936149 283.608792700 0.16853830 97.427274710 0.37056280 37.833861780 0.41649153 15.582073600 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 345.589679100 -0.01325279 0.00375970 68.401216550 -0.04699171 0.03767937 21.259047120 -0.03378537 0.17389674 8.179121699 0.25024179 0.41803643 3.552198128 0.59511725 0.42585955 1.628232301 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 12.944394420 -0.00794313 -0.00713936 3.466625105 -0.07100264 -0.01829277 1.300021248 -0.17850269 0.07621621 0.581913408 0.15106351 0.41450986 0.287959290 0.73549148 0.48896215 0.148404298 0.27605931 0.10588165 }) ] % % BASIS SET: (18S,12P) -> [3S,2P] chlorine: "STO-6G": [ (type: [am = s] {exp coef:0} = { 6236.545525000 0.00916360 1143.463795000 0.04936149 319.899963500 0.16853830 109.894271400 0.37056280 42.675161410 0.41649153 17.575988140 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 403.972966000 -0.01325279 0.00375970 79.956792690 -0.04699171 0.03767937 24.850511570 -0.03378537 0.17389674 9.560887526 0.25024179 0.41803643 4.152299968 0.59511725 0.42585955 1.903302881 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 13.583528710 -0.00794313 -0.00713936 3.637791008 -0.07100264 -0.01829277 1.364210281 -0.17850269 0.07621621 0.610645599 0.15106351 0.41450986 0.302177387 0.73549148 0.48896215 0.155731816 0.27605931 0.10588165 }) ] % % BASIS SET: (18S,12P) -> [3S,2P] argon: "STO-6G": [ (type: [am = s] {exp coef:0} = { 6994.673814000 0.00916360 1282.465787000 0.04936149 358.787711700 0.16853830 123.253262400 0.37056280 47.862848560 0.41649153 19.712564190 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 468.299214800 -0.01325279 0.00375970 92.688636090 -0.04699171 0.03767937 28.807559010 -0.03378537 0.17389674 11.083306310 0.25024179 0.41803643 4.813487481 0.59511725 0.42585955 2.206373495 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 16.721909070 -0.00794313 -0.00713936 4.478277461 -0.07100264 -0.01829277 1.679401631 -0.17850269 0.07621621 0.751731041 0.15106351 0.41450986 0.371993383 0.73549148 0.48896215 0.191712575 0.27605931 0.10588165 }) ] % % BASIS SET: (24S,18P) -> [4S,3P] potassium: "STO-6G": [ (type: [am = s] {exp coef:0} = { 8001.321412000 0.00916360 1467.033522000 0.04936149 410.423112800 0.16853830 140.991416300 0.37056280 54.751092790 0.41649153 22.549523560 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 543.346505100 -0.01325279 0.00375970 107.542453400 -0.04699171 0.03767937 33.424114350 -0.03378537 0.17389674 12.859461550 0.25024179 0.41803643 5.584872913 0.59511725 0.42585955 2.559955878 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 23.293749630 -0.00794313 -0.00713936 6.238275397 -0.07100264 -0.01829277 2.339419558 -0.17850269 0.07621621 1.047167197 0.15106351 0.41450986 0.518189681 0.73549148 0.48896215 0.267057110 0.27605931 0.10588165 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 2.791996035 0.00377506 -0.00705207 0.898368126 -0.05585965 -0.05259505 0.383841840 -0.31929460 -0.03773450 0.191408161 -0.02764780 0.38747730 0.103313726 0.90491990 0.57916720 0.057448480 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P) -> [4S,3P] calcium: "STO-6G": [ (type: [am = s] {exp coef:0} = { 8857.157042000 0.00916360 1623.950048000 0.04936149 454.322702100 0.16853830 156.072110000 0.37056280 60.607367460 0.41649153 24.961460870 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 617.569099900 -0.01325279 0.00375970 122.233041900 -0.04699171 0.03767937 37.989938320 -0.03378537 0.17389674 14.616098600 0.25024179 0.41803643 6.347781583 0.59511725 0.42585955 2.909652740 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 27.906605090 -0.00794313 -0.00713936 7.473639527 -0.07100264 -0.01829277 2.802694233 -0.17850269 0.07621621 1.254537458 0.15106351 0.41450986 0.620806655 0.73549148 0.48896215 0.319942364 0.27605931 0.10588165 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 2.525343962 0.00377506 -0.00705207 0.812568677 -0.05585965 -0.05259505 0.347182682 -0.31929460 -0.03773450 0.173127554 -0.02764780 0.38747730 0.093446656 0.90491990 0.57916720 0.051961812 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P,6D) -> [4S,3P,1D] scandium: "STO-6G": [ (type: [am = s] {exp coef:0} = { 9765.965612000 0.00916360 1790.579105000 0.04936149 500.939507300 0.16853830 172.086240800 0.37056280 66.826123070 0.41649153 27.522687850 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 696.541940800 -0.01325279 0.00375970 137.863828100 -0.04699171 0.03767937 42.847975020 -0.03378537 0.17389674 16.485160430 0.25024179 0.41803643 7.159516407 0.59511725 0.42585955 3.281730201 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 28.135419240 -0.00794313 -0.00713936 8.101568293 -0.07100264 -0.01829277 3.186549647 -0.17850269 0.07621621 1.456361493 0.15106351 0.41450986 0.724781612 0.73549148 0.48896215 0.372220338 0.27605931 0.10588165 }) (type: [(am = d puream = 1)] {exp coef:0} = { 3.303913712 0.00663343 0.951358938 0.05958178 0.374193289 0.24019496 0.171019051 0.46481147 0.085110369 0.34340923 0.043709456 0.05389057 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 3.495285760 0.00377506 -0.00705207 1.124662528 -0.05585965 -0.05259505 0.480529664 -0.31929460 -0.03773450 0.239622912 -0.02764780 0.38747730 0.129337933 0.90491990 0.57916720 0.071919462 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P,6D) -> [4S,3P,1D] titanium: "STO-6G": [ (type: [am = s] {exp coef:0} = { 10719.150490000 0.00916360 1965.344508000 0.04936149 549.832569200 0.16853830 188.882327200 0.37056280 73.348534900 0.41649153 30.208977240 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 780.265027700 -0.01325279 0.00375970 154.434812000 -0.04699171 0.03767937 47.998224460 -0.03378537 0.17389674 18.466647020 0.25024179 0.41803643 8.020077386 0.59511725 0.42585955 3.676188261 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 32.311730000 -0.00794313 -0.00713936 9.304133165 -0.07100264 -0.01829277 3.659548520 -0.17850269 0.07621621 1.672538054 0.15106351 0.41450986 0.832365338 0.73549148 0.48896215 0.427471258 0.27605931 0.10588165 }) (type: [(am = d puream = 1)] {exp coef:0} = { 9.857130992 0.00663343 2.838351873 0.05958178 1.116394855 0.24019496 0.510230393 0.46481147 0.253924323 0.34340923 0.130405899 0.05389057 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 3.945849940 0.00377506 -0.00705207 1.269638557 -0.05585965 -0.05259505 0.542472941 -0.31929460 -0.03773450 0.270511803 -0.02764780 0.38747730 0.146010401 0.90491990 0.57916720 0.081190331 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P,6D) -> [4S,3P,1D] vanadium: "STO-6G": [ (type: [am = s] {exp coef:0} = { 11727.119580000 0.00916360 2150.154537000 0.04936149 601.535755600 0.16853830 206.643767100 0.37056280 80.245821780 0.41649153 33.049660870 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 868.738360600 -0.01325279 0.00375970 171.945993500 -0.04699171 0.03767937 53.440686630 -0.03378537 0.17389674 20.560558390 0.25024179 0.41803643 8.929464520 0.59511725 0.42585955 4.093026920 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 36.776928430 -0.00794313 -0.00713936 10.589882980 -0.07100264 -0.01829277 4.165266112 -0.17850269 0.07621621 1.903668182 0.15106351 0.41450986 0.947390947 0.73549148 0.48896215 0.486544046 0.27605931 0.10588165 }) (type: [(am = d puream = 1)] {exp coef:0} = { 17.755123070 0.00663343 5.112571484 0.05958178 2.010902367 0.24019496 0.919050728 0.46481147 0.457380308 0.34340923 0.234893173 0.05389057 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 3.945849940 0.00377506 -0.00705207 1.269638557 -0.05585965 -0.05259505 0.542472941 -0.31929460 -0.03773450 0.270511803 -0.02764780 0.38747730 0.146010401 0.90491990 0.57916720 0.081190331 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P,6D) -> [4S,3P,1D] chromium: "STO-6G": [ (type: [am = s] {exp coef:0} = { 12780.375230000 0.00916360 2343.267809000 0.04936149 655.561889800 0.16853830 225.203202300 0.37056280 87.452993580 0.41649153 36.017972220 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 961.961939700 -0.01325279 0.00375970 190.397372700 -0.04699171 0.03767937 59.175361530 -0.03378537 0.17389674 22.766894530 0.25024179 0.41803643 9.887677808 0.59511725 0.42585955 4.532246179 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 41.318308000 -0.00794313 -0.00713936 11.897569080 -0.07100264 -0.01829277 4.679611797 -0.17850269 0.07621621 2.138741641 0.15106351 0.41450986 1.064379017 0.73549148 0.48896215 0.546624680 0.27605931 0.10588165 }) (type: [(am = d puream = 1)] {exp coef:0} = { 25.400543230 0.00663343 7.314063241 0.05958178 2.876804194 0.24019496 1.314797293 0.46481147 0.654329922 0.34340923 0.336039022 0.05389057 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 4.181372125 0.00377506 -0.00705207 1.345421481 -0.05585965 -0.05259505 0.574852381 -0.31929460 -0.03773450 0.286658269 -0.02764780 0.38747730 0.154725554 0.90491990 0.57916720 0.086036466 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P,6D) -> [4S,3P,1D] manganese: "STO-6G": [ (type: [am = s] {exp coef:0} = { 13867.594650000 0.00916360 2542.608299000 0.04936149 711.330175500 0.16853830 244.361113600 0.37056280 94.892571160 0.41649153 39.082001110 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 1057.846193000 -0.01325279 0.00375970 209.375368700 -0.04699171 0.03767937 65.073708540 -0.03378537 0.17389674 25.036201230 0.25024179 0.41803643 10.873239250 0.59511725 0.42585955 4.984001099 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 46.124000670 -0.00794313 -0.00713936 13.281363900 -0.07100264 -0.01829277 5.223892945 -0.17850269 0.07621621 2.387496625 0.15106351 0.41450986 1.188175917 0.73549148 0.48896215 0.610202071 0.27605931 0.10588165 }) (type: [(am = d puream = 1)] {exp coef:0} = { 32.499861950 0.00663343 9.358305588 0.05958178 3.680855890 0.24019496 1.682276246 0.46481147 0.837211706 0.34340923 0.429960168 0.05389057 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 3.717154485 0.00377506 -0.00705207 1.196052239 -0.05585965 -0.05259505 0.511032035 -0.31929460 -0.03773450 0.254833351 -0.02764780 0.38747730 0.137547860 0.90491990 0.57916720 0.076484663 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P,6D) -> [4S,3P,1D] iron: "STO-6G": [ (type: [am = s] {exp coef:0} = { 15010.965990000 0.00916360 2752.244183000 0.04936149 769.978741200 0.16853830 264.508478800 0.37056280 102.716382600 0.41649153 42.304278730 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 1160.471300000 -0.01325279 0.00375970 229.687555800 -0.04699171 0.03767937 71.386721150 -0.03378537 0.17389674 27.465044720 0.25024179 0.41803643 11.928087640 0.59511725 0.42585955 5.467515293 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 51.194006440 -0.00794313 -0.00713936 14.741267430 -0.07100264 -0.01829277 5.798109557 -0.17850269 0.07621621 2.649933133 0.15106351 0.41450986 1.318781646 0.73549148 0.48896215 0.677276219 0.27605931 0.10588165 }) (type: [(am = d puream = 1)] {exp coef:0} = { 38.397757500 0.00663343 11.056599230 0.05958178 4.348837299 0.24019496 1.987566453 0.46481147 0.989144265 0.34340923 0.507986966 0.05389057 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 3.280243765 0.00377506 -0.00705207 1.055469423 -0.05585965 -0.05259505 0.450965827 -0.31929460 -0.03773450 0.224880487 -0.02764780 0.38747730 0.121380619 0.90491990 0.57916720 0.067494730 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P,6D) -> [4S,3P,1D] cobalt: "STO-6G": [ (type: [am = s] {exp coef:0} = { 16150.719390000 0.00916360 2961.216722000 0.04936149 828.441726900 0.16853830 284.592092300 0.37056280 110.515437500 0.41649153 45.516360200 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 1263.277841000 -0.01325279 0.00375970 250.035653200 -0.04699171 0.03767937 77.710894650 -0.03378537 0.17389674 29.898182230 0.25024179 0.41803643 12.984800910 0.59511725 0.42585955 5.951884302 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 56.777074510 -0.00794313 -0.00713936 16.348906790 -0.07100264 -0.01829277 6.430434366 -0.17850269 0.07621621 2.938927062 0.15106351 0.41450986 1.462604102 0.73549148 0.48896215 0.751137975 0.27605931 0.10588165 }) (type: [(am = d puream = 1)] {exp coef:0} = { 45.899826030 0.00663343 13.216813020 0.05958178 5.198503467 0.24019496 2.375892770 0.46481147 1.182401073 0.34340923 0.607236331 0.05389057 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 3.280243765 0.00377506 -0.00705207 1.055469423 -0.05585965 -0.05259505 0.450965827 -0.31929460 -0.03773450 0.224880487 -0.02764780 0.38747730 0.121380619 0.90491990 0.57916720 0.067494730 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P,6D) -> [4S,3P,1D] nickel: "STO-6G": [ (type: [am = s] {exp coef:0} = { 17420.877860000 0.00916360 3194.098886000 0.04936149 893.593764200 0.16853830 306.973575500 0.37056280 119.206822300 0.41649153 49.095952470 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 1377.587853000 -0.01325279 0.00375970 272.660587800 -0.04699171 0.03767937 84.742707460 -0.03378537 0.17389674 32.603574070 0.25024179 0.41803643 14.159754440 0.59511725 0.42585955 6.490451468 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 61.866739930 -0.00794313 -0.00713936 17.814471300 -0.07100264 -0.01829277 7.006877582 -0.17850269 0.07621621 3.202381203 0.15106351 0.41450986 1.593716273 0.73549148 0.48896215 0.818472212 0.27605931 0.10588165 }) (type: [(am = d puream = 1)] {exp coef:0} = { 51.668022490 0.00663343 14.877759920 0.05958178 5.851795470 0.24019496 2.674469420 0.46481147 1.330992522 0.34340923 0.683547261 0.05389057 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 3.495285760 0.00377506 -0.00705207 1.124662528 -0.05585965 -0.05259505 0.480529664 -0.31929460 -0.03773450 0.239622912 -0.02764780 0.38747730 0.129337933 0.90491990 0.57916720 0.071919462 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P,6D) -> [4S,3P,1D] copper: "STO-6G": [ (type: [am = s] {exp coef:0} = { 18686.508130000 0.00916360 3426.150811000 0.04936149 958.513530500 0.16853830 329.275267400 0.37056280 127.867221900 0.41649153 52.662783260 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 1494.364736000 -0.01325279 0.00375970 295.773780400 -0.04699171 0.03767937 91.926270510 -0.03378537 0.17389674 35.367349700 0.25024179 0.41803643 15.360064080 0.59511725 0.42585955 7.040641197 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 67.717670760 -0.00794313 -0.00713936 19.499241500 -0.07100264 -0.01829277 7.669539880 -0.17850269 0.07621621 3.505240396 0.15106351 0.41450986 1.744438999 0.73549148 0.48896215 0.895877685 0.27605931 0.10588165 }) (type: [(am = d puream = 1)] {exp coef:0} = { 57.777532350 0.00663343 16.636987710 0.05958178 6.543743805 0.24019496 2.990713326 0.46481147 1.488376365 0.34340923 0.764373632 0.05389057 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 3.495285760 0.00377506 -0.00705207 1.124662528 -0.05585965 -0.05259505 0.480529664 -0.31929460 -0.03773450 0.239622912 -0.02764780 0.38747730 0.129337933 0.90491990 0.57916720 0.071919462 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P,6D) -> [4S,3P,1D] zinc: "STO-6G": [ (type: [am = s] {exp coef:0} = { 20010.110840000 0.00916360 3668.831918000 0.04936149 1026.406959000 0.16853830 352.598492500 0.37056280 136.924312700 0.41649153 56.392993420 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 1615.891864000 -0.01325279 0.00375970 319.827170700 -0.04699171 0.03767937 99.402046280 -0.03378537 0.17389674 38.243550100 0.25024179 0.41803643 16.609199870 0.59511725 0.42585955 7.613211526 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 73.549214990 -0.00794313 -0.00713936 21.178429330 -0.07100264 -0.01829277 8.330006498 -0.17850269 0.07621621 3.807096088 0.15106351 0.41450986 1.894662316 0.73549148 0.48896215 0.973026682 0.27605931 0.10588165 }) (type: [(am = d puream = 1)] {exp coef:0} = { 65.559477870 0.00663343 18.877791820 0.05958178 7.425108164 0.24019496 3.393526794 0.46481147 1.688842936 0.34340923 0.867325657 0.05389057 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 4.928899060 0.00377506 -0.00705207 1.585949893 -0.05585965 -0.05259505 0.677621909 -0.31929460 -0.03773450 0.337905747 -0.02764780 0.38747730 0.182386694 0.90491990 0.57916720 0.101417679 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P,6D) -> [4S,3P,1D] gallium: "STO-6G": [ (type: [am = s] {exp coef:0} = { 21379.000110000 0.00916360 3919.816268000 0.04936149 1096.623335000 0.16853830 376.719712900 0.37056280 146.291288400 0.41649153 60.250831310 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 1739.490009000 -0.01325279 0.00375970 344.290469300 -0.04699171 0.03767937 107.005221200 -0.03378537 0.17389674 41.168765560 0.25024179 0.41803643 17.879622940 0.59511725 0.42585955 8.195539368 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 75.546581010 -0.00794313 -0.00713936 21.753569050 -0.07100264 -0.01829277 8.556223350 -0.17850269 0.07621621 3.910484878 0.15106351 0.41450986 1.946115403 0.73549148 0.48896215 0.999451035 0.27605931 0.10588165 }) (type: [(am = d puream = 1)] {exp coef:0} = { 75.546581010 0.00663343 21.753569050 0.05958178 8.556223350 0.24019496 3.910484878 0.46481147 1.946115403 0.34340923 0.999451035 0.05389057 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 4.423721040 0.00377506 -0.00705207 1.423401012 -0.05585965 -0.05259505 0.608170356 -0.31929460 -0.03773450 0.303272748 -0.02764780 0.38747730 0.163693321 0.90491990 0.57916720 0.091023070 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P,6D) -> [4S,3P,1D] germanium: "STO-6G": [ (type: [am = s] {exp coef:0} = { 22778.664930000 0.00916360 4176.443280000 0.04936149 1168.418325000 0.16853830 401.383229700 0.37056280 155.868853800 0.41649153 64.195401600 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 1870.418666000 -0.01325279 0.00375970 370.204667500 -0.04699171 0.03767937 115.059334700 -0.03378537 0.17389674 44.267473320 0.25024179 0.41803643 19.225393830 0.59511725 0.42585955 8.812404632 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 85.018164380 -0.00794313 -0.00713936 24.480902840 -0.07100264 -0.01829277 9.628952013 -0.17850269 0.07621621 4.400758337 0.15106351 0.41450986 2.190107838 0.73549148 0.48896215 1.124756293 0.27605931 0.10588165 }) (type: [(am = d puream = 1)] {exp coef:0} = { 85.018164380 0.00663343 24.480902840 0.05958178 9.628952013 0.24019496 4.400758337 0.46481147 2.190107838 0.34340923 1.124756293 0.05389057 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 5.461384000 0.00377506 -0.00705207 1.757285200 -0.05585965 -0.05259505 0.750827600 -0.31929460 -0.03773450 0.374410800 -0.02764780 0.38747730 0.202090520 0.90491990 0.57916720 0.112374160 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P,6D) -> [4S,3P,1D] arsenic: "STO-6G": [ (type: [am = s] {exp coef:0} = { 24237.669880000 0.00916360 4443.950241000 0.04936149 1243.257133000 0.16853830 427.092380000 0.37056280 165.852469200 0.41649153 68.307205760 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 2003.222475000 -0.01325279 0.00375970 396.490007000 -0.04699171 0.03767937 123.228798700 -0.03378537 0.17389674 47.410560570 0.25024179 0.41803643 20.590438760 0.59511725 0.42585955 9.438104600 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 95.048955630 -0.00794313 -0.00713936 27.369260030 -0.07100264 -0.01829277 10.765015210 -0.17850269 0.07621621 4.919977830 0.15106351 0.41450986 2.448505731 0.73549148 0.48896215 1.257459647 0.27605931 0.10588165 }) (type: [(am = d puream = 1)] {exp coef:0} = { 95.048955630 0.00663343 27.369260030 0.05958178 10.765015210 0.24019496 4.919977830 0.46481147 2.448505731 0.34340923 1.257459647 0.05389057 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 6.136411062 0.00377506 -0.00705207 1.974485651 -0.05585965 -0.05259505 0.843629891 -0.31929460 -0.03773450 0.420687975 -0.02764780 0.38747730 0.227068908 0.90491990 0.57916720 0.126263606 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P,6D) -> [4S,3P,1D] selenium: "STO-6G": [ (type: [am = s] {exp coef:0} = { 25726.540130000 0.00916360 4716.932971000 0.04936149 1319.627864000 0.16853830 453.327787100 0.37056280 176.040445400 0.41649153 72.503177010 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 2137.610730000 -0.01325279 0.00375970 423.088949900 -0.04699171 0.03767937 131.495730300 -0.03378537 0.17389674 50.591147130 0.25024179 0.41803643 21.971769680 0.59511725 0.42585955 10.071269620 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 105.638954800 -0.00794313 -0.00713936 30.418640610 -0.07100264 -0.01829277 11.964412940 -0.17850269 0.07621621 5.468143358 0.15106351 0.41450986 2.721309082 0.73549148 0.48896215 1.397561098 0.27605931 0.10588165 }) (type: [(am = d puream = 1)] {exp coef:0} = { 105.638954800 0.00663343 30.418640610 0.05958178 11.964412940 0.24019496 5.468143358 0.46481147 2.721309082 0.34340923 1.397561098 0.05389057 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 6.728971226 0.00377506 -0.00705207 2.165151095 -0.05585965 -0.05259505 0.925094686 -0.31929460 -0.03773450 0.461311547 -0.02764780 0.38747730 0.248995730 0.90491990 0.57916720 0.138456203 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P,6D) -> [4S,3P,1D] bromine: "STO-6G": [ (type: [am = s] {exp coef:0} = { 27275.660770000 0.00916360 5000.962544000 0.04936149 1399.089103000 0.16853830 480.624867400 0.37056280 186.640700500 0.41649153 76.868947430 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 2279.426398000 -0.01325279 0.00375970 451.157971700 -0.04699171 0.03767937 140.219561300 -0.03378537 0.17389674 53.947519390 0.25024179 0.41803643 23.429444440 0.59511725 0.42585955 10.739428620 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 116.788161800 -0.00794313 -0.00713936 33.629044590 -0.07100264 -0.01829277 13.227145200 -0.17850269 0.07621621 6.045254920 0.15106351 0.41450986 3.008517890 0.73549148 0.48896215 1.545060645 0.27605931 0.10588165 }) (type: [(am = d puream = 1)] {exp coef:0} = { 116.788161800 0.00663343 33.629044590 0.05958178 13.227145200 0.24019496 6.045254920 0.46481147 3.008517890 0.34340923 1.545060645 0.05389057 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 7.733865882 0.00377506 -0.00705207 2.488491572 -0.05585965 -0.05259505 1.063246964 -0.31929460 -0.03773450 0.530203134 -0.02764780 0.38747730 0.286180385 0.90491990 0.57916720 0.159133048 0.34062580 0.12218170 }) ] % % BASIS SET: (24S,18P,6D) -> [4S,3P,1D] krypton: "STO-6G": [ (type: [am = s] {exp coef:0} = { 28853.736440000 0.00916360 5290.300991000 0.04936149 1480.035573000 0.16853830 508.432164700 0.37056280 197.439087800 0.41649153 81.316319640 0.13033408 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 2425.796448000 -0.01325279 0.00375970 480.128424400 -0.04699171 0.03767937 149.223556400 -0.03378537 0.17389674 57.411680850 0.25024179 0.41803643 24.933932120 0.59511725 0.42585955 11.429045400 0.24070618 0.10170830 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 128.496576600 -0.00794313 -0.00713936 37.000471970 -0.07100264 -0.01829277 14.553212000 -0.17850269 0.07621621 6.651312517 0.15106351 0.41450986 3.310132155 0.73549148 0.48896215 1.699958288 0.27605931 0.10588165 }) (type: [(am = d puream = 1)] {exp coef:0} = { 128.496576600 0.00663343 37.000471970 0.05958178 14.553212000 0.24019496 6.651312517 0.46481147 3.310132155 0.34340923 1.699958288 0.05389057 }) (type: [am = p am = s] {exp coef:1 coef:0} = { 8.808666254 0.00377506 -0.00705207 2.834325299 -0.05585965 -0.05259505 1.211009836 -0.31929460 -0.03773450 0.603887179 -0.02764780 0.38747730 0.325951800 0.90491990 0.57916720 0.181248283 0.34062580 0.12218170 }) ] )