!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 2.1.0+44.g1191679.dirty ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: 6-311++G(2d,2p) ! Description: 6-311++G(2d,2p) ! Role: orbital ! Version: 0 (Data from the Original Basis Set Exchange) !---------------------------------------------------------------------- $DATA HYDROGEN S 3 1 33.86500 0.0254938 2 5.094790 0.190373 3 1.158790 0.852161 S 1 1 0.325840 1.000000 S 1 1 0.102741 1.000000 S 1 1 0.0360000 1.0000000 P 1 1 1.5000000 1.0000000 P 1 1 0.3750000 1.0000000 LITHIUM S 6 1 900.4600 0.00228704 2 134.4330 0.0176350 3 30.43650 0.0873434 4 8.626390 0.2809770 5 2.483320 0.6587410 6 0.303179 0.118712 S 3 1 4.868900 0.0933293 2 0.856924 0.9430450 3 0.243227 -0.00279827 S 1 1 0.0635070 1.000000 S 1 1 0.0243683 1.000000 S 1 1 0.0074000 1.0000000 P 3 1 4.868900 0.0327661 2 0.856924 0.1597920 3 0.243227 0.8856670 P 1 1 0.0635070 1.000000 P 1 1 0.0243683 1.000000 P 1 1 0.0074000 1.0000000 D 1 1 0.4000000 1.0000000 D 1 1 0.1000000 1.0000000 BERYLLIUM S 6 1 1682.800 0.00228574 2 251.7150 0.0175938 3 57.41160 0.0863315 4 16.51710 0.2818350 5 4.853640 0.6405940 6 0.626863 0.1444670 S 3 1 8.309380 0.108621 2 1.740750 0.927301 3 0.485816 -0.00297169 S 1 1 0.163613 1.000000 S 1 1 0.0567285 1.000000 S 1 1 0.0207000 1.0000000 P 3 1 8.309380 0.0361344 2 1.740750 0.216958 3 0.485816 0.841839 P 1 1 0.163613 1.000000 P 1 1 0.0567285 1.000000 P 1 1 0.0207000 1.0000000 D 1 1 0.5100000 1.0000000 D 1 1 0.1275000 1.0000000 BORON S 6 1 2858.890 0.00215375 2 428.1400 0.0165823 3 97.52820 0.0821870 4 27.96930 0.2766180 5 8.215770 0.6293160 6 1.112780 0.1737700 S 3 1 13.24150 0.117443 2 3.001660 0.918002 3 0.912856 -0.00265105 S 1 1 0.315454 1.000000 S 1 1 0.0988563 1.000000 S 1 1 0.0315000 1.0000000 P 3 1 13.24150 0.0418100 2 3.001660 0.236575 3 0.912856 0.816214 P 1 1 0.315454 1.000000 P 1 1 0.0988563 1.000000 P 1 1 0.0315000 1.0000000 D 1 1 0.8020000 1.0000000 D 1 1 0.2005000 1.0000000 CARBON S 6 1 4563.240 0.00196665 2 682.0240 0.0152306 3 154.9730 0.0761269 4 44.45530 0.2608010 5 13.02900 0.6164620 6 1.827730 0.2210060 S 3 1 20.96420 0.114660 2 4.803310 0.919999 3 1.459330 -0.00303068 S 1 1 0.4834560 1.000000 S 1 1 0.1455850 1.000000 S 1 1 0.0438000 1.0000000 P 3 1 20.96420 0.0402487 2 4.803310 0.237594 3 1.459330 0.815854 P 1 1 0.4834560 1.000000 P 1 1 0.1455850 1.000000 P 1 1 0.0438000 1.0000000 D 1 1 1.2520000 1.0000000 D 1 1 0.3130000 1.0000000 NITROGEN S 6 1 6293.480 0.00196979 2 949.0440 0.0149613 3 218.7760 0.0735006 4 63.69160 0.2489370 5 18.82820 0.6024600 6 2.720230 0.2562020 S 3 1 30.63310 0.111906 2 7.026140 0.921666 3 2.112050 -0.00256919 S 1 1 0.684009 1.000000 S 1 1 0.200878 1.000000 S 1 1 0.0639000 1.0000000 P 3 1 30.63310 0.0383119 2 7.026140 0.237403 3 2.112050 0.817592 P 1 1 0.684009 1.000000 P 1 1 0.200878 1.000000 P 1 1 0.0639000 1.0000000 D 1 1 1.8260000 1.0000000 D 1 1 0.4565000 1.0000000 OXYGEN S 6 1 8588.500 0.00189515 2 1297.230 0.0143859 3 299.2960 0.0707320 4 87.37710 0.2400010 5 25.67890 0.5947970 6 3.740040 0.2808020 S 3 1 42.11750 0.113889 2 9.628370 0.920811 3 2.853320 -0.00327447 S 1 1 0.905661 1.000000 S 1 1 0.255611 1.000000 S 1 1 0.0845000 1.0000000 P 3 1 42.11750 0.0365114 2 9.628370 0.237153 3 2.853320 0.819702 P 1 1 0.905661 1.000000 P 1 1 0.255611 1.000000 P 1 1 0.0845000 1.0000000 D 1 1 2.5840000 1.0000000 D 1 1 0.6460000 1.0000000 FLUORINE S 6 1 11427.10 0.00180093 2 1722.350 0.0137419 3 395.7460 0.0681334 4 115.1390 0.2333250 5 33.60260 0.5890860 6 4.919010 0.2995050 S 3 1 55.44410 0.114536 2 12.63230 0.920512 3 3.717560 -0.00337804 S 1 1 1.165450 1.000000 S 1 1 0.321892 1.000000 S 1 1 0.1076000 1.0000000 P 3 1 55.44410 0.0354609 2 12.63230 0.237451 3 3.717560 0.820458 P 1 1 1.165450 1.000000 P 1 1 0.321892 1.000000 P 1 1 0.1076000 1.0000000 D 1 1 3.5000000 1.0000000 D 1 1 0.8750000 1.0000000 NEON S 6 1 13995.70 0.00183276 2 2117.100 0.0138827 3 490.4250 0.0680687 4 143.8330 0.2313280 5 41.92650 0.5858900 6 6.156840 0.3058830 S 3 1 69.12110 0.1191490 2 15.83500 0.9173750 3 4.673260 -0.00405839 S 1 1 1.457560 1.000000 S 1 1 0.397057 1.000000 S 1 1 0.1300000 1.0000000 P 3 1 69.12110 0.0356574 2 15.83500 0.2394770 3 4.673260 0.8184610 P 1 1 1.457560 1.000000 P 1 1 0.397057 1.000000 P 1 1 0.1300000 1.0000000 D 1 1 4.6080000 1.0000000 D 1 1 1.1520000 1.0000000 SODIUM S 6 1 36166.4 0.001032 2 5372.58 0.008071 3 1213.21 0.042129 4 339.623 0.169789 5 109.553 0.514621 6 38.7773 0.379817 S 3 1 38.7773 0.374762 2 14.5759 0.575769 3 5.26993 0.112933 S 1 1 1.82777 1.000000 S 1 1 0.619948 1.000000 S 1 1 0.057240 1.000000 S 1 1 0.024048 1.000000 S 1 1 0.0076000 1.0000000 P 4 1 144.645 0.011485 2 33.9074 0.082383 3 10.6285 0.319658 4 3.82389 0.701295 P 2 1 1.44429 0.638506 2 0.552621 0.425365 P 1 1 0.188720 1.000000 P 1 1 0.046501 1.000000 P 1 1 0.016285 1.000000 P 1 1 0.0076000 1.0000000 D 1 1 0.3500000 1.0000000 D 1 1 0.0875000 1.0000000 MAGNESIUM S 6 1 43866.5 0.000918 2 6605.37 0.007047 3 1513.26 0.035941 4 432.317 0.141461 5 142.149 0.426764 6 51.3983 0.497975 S 3 1 51.3983 0.251355 2 19.9196 0.618671 3 8.02474 0.188417 S 1 1 2.50817 1.000000 S 1 1 0.871531 1.000000 S 1 1 0.108188 1.000000 S 1 1 0.040130 1.000000 S 1 1 0.0146000 1.0000000 P 4 1 193.854 0.010188 2 45.4420 0.075360 3 14.1864 0.307419 4 5.05751 0.717575 P 2 1 1.888610 0.667339 2 0.722652 0.394649 P 1 1 0.236417 1.000000 P 1 1 0.093358 1.000000 P 1 1 0.034809 1.000000 P 1 1 0.0146000 1.0000000 D 1 1 0.3500000 1.0000000 D 1 1 0.0875000 1.0000000 ALUMINUM S 6 1 54866.489 0.000839 2 8211.7665 0.006527 3 1866.1761 0.033666 4 531.12934 0.132902 5 175.11797 0.401266 6 64.005500 0.531338 S 3 1 64.005500 0.202305 2 25.292507 0.624790 3 10.534910 0.227439 S 1 1 3.2067110 1.000000 S 1 1 1.152555 1.000000 S 1 1 0.1766780 1.000000 S 1 1 0.0652370 1.000000 S 1 1 0.0318000 1.0000000 P 4 1 259.28362 0.009448 2 61.076870 0.070974 3 19.303237 0.295636 4 7.0108820 0.728219 P 2 1 2.6738650 0.644467 2 1.0365960 0.417413 P 1 1 0.3168190 1.000000 P 1 1 0.1142570 1.000000 P 1 1 0.041397 1.000000 P 1 1 0.0318000 1.0000000 D 1 1 0.6500000 1.0000000 D 1 1 0.1625000 1.0000000 SILICON S 6 1 69379.230 0.000757 2 10354.940 0.005932 3 2333.8796 0.031088 4 657.14295 0.124967 5 214.30113 0.386897 6 77.629168 0.554888 S 3 1 77.629168 0.177881 2 30.630807 0.627765 3 12.801295 0.247623 S 1 1 3.9268660 1.000000 S 1 1 1.4523430 1.000000 S 1 1 0.256234 1.000000 S 1 1 0.094279 1.000000 S 1 1 0.0331000 1.0000000 P 4 1 335.48319 0.008866 2 78.900366 0.068299 3 24.988150 0.290958 4 9.2197110 0.732117 P 2 1 3.6211400 0.619879 2 1.4513100 0.439148 P 1 1 0.504977 1.000000 P 1 1 0.186317 1.000000 P 1 1 0.065432 1.000000 P 1 1 0.0331000 1.0000000 D 1 1 0.9000000 1.0000000 D 1 1 0.2250000 1.0000000 PHOSPHORUS S 6 1 77492.4 0.000781 2 11605.8 0.006068 3 2645.96 0.031160 4 754.976 0.123431 5 248.755 0.378209 6 91.1565 0.563262 S 3 1 91.1565 0.160255 2 36.2257 0.627647 3 15.2113 0.263849 S 1 1 4.79417 1.000000 S 1 1 1.80793 1.000000 S 1 1 0.356816 1.000000 S 1 1 0.114783 1.000000 S 1 1 0.0348000 1.0000000 P 4 1 384.843 0.009206 2 90.5521 0.069874 3 29.1339 0.292470 4 10.8862 0.728103 P 2 1 4.35259 0.628349 2 1.77706 0.428044 P 1 1 0.697005 1.000000 P 1 1 0.253532 1.000000 P 1 1 0.068493 1.000000 P 1 1 0.0348000 1.0000000 D 1 1 1.1000000 1.0000000 D 1 1 0.2750000 1.0000000 SULFUR S 6 1 93413.4 0.000743 2 13961.7 0.005793 3 3169.91 0.029954 4 902.456 0.119028 5 297.158 0.368432 6 108.702 0.577299 S 3 1 108.702 0.143186 2 43.1553 0.624465 3 18.1079 0.283366 S 1 1 5.56009 1.000000 S 1 1 2.13183 1.000000 S 1 1 0.420403 1.000000 S 1 1 0.136045 1.000000 S 1 1 0.0405000 1.0000000 P 4 1 495.040 0.008309 2 117.221 0.064024 3 37.7749 0.277614 4 14.0584 0.745076 P 2 1 5.56574 0.613712 2 2.26297 0.443818 P 1 1 0.807994 1.000000 P 1 1 0.277460 1.000000 P 1 1 0.077141 1.000000 P 1 1 0.0405000 1.0000000 D 1 1 1.3000000 1.0000000 D 1 1 0.3250000 1.0000000 CHLORINE S 6 1 105819.0 0.000738 2 15872.00 0.005718 3 3619.650 0.029495 4 1030.800 0.117286 5 339.9080 0.362949 6 124.5380 0.584149 S 3 1 124.5380 0.134177 2 49.51350 0.624250 3 20.80560 0.291756 S 1 1 6.583460 1.000000 S 1 1 2.564680 1.000000 S 1 1 0.559763 1.000000 S 1 1 0.183273 1.000000 S 1 1 0.0483000 1.0000000 P 5 1 589.7760 0.002391 2 139.8490 0.018504 3 45.14130 0.081377 4 16.87330 0.221552 5 6.741100 0.772569 P 2 1 6.741100 -1.572244 2 2.771520 0.992389 P 1 1 1.023870 1.000000 P 1 1 0.381368 1.000000 P 1 1 0.109437 1.000000 P 1 1 0.0483000 1.0000000 D 1 1 1.5000000 1.0000000 D 1 1 0.3750000 1.0000000 ARGON S 6 1 118022.38 0.000747 2 17683.541 0.005790 3 4027.7657 0.029919 4 1145.3977 0.119206 5 377.16375 0.369028 6 138.15969 0.576459 S 3 1 138.15969 0.143927 2 54.989117 0.622938 3 23.170667 0.283964 S 1 1 7.3778600 1.000000 S 1 1 2.9236880 1.000000 S 1 1 0.6504050 1.000000 S 1 1 0.2328250 1.000000 S 1 1 0.0600000 1.0000000 P 5 1 663.06201 0.003082 2 157.09281 0.024165 3 50.231100 0.108223 4 18.635345 0.294192 5 7.4465370 0.687862 P 2 1 7.4465370 -0.1214482 2 3.0956980 0.1632370 P 1 1 1.1064630 1.000000 P 1 1 0.4156010 1.000000 P 1 1 0.1454490 1.000000 P 1 1 0.0600000 1.0000000 D 1 1 1.7000000 1.0000000 D 1 1 0.4250000 1.0000000 POTASSIUM S 6 1 182594. 0.000227747 2 27369.0 0.00176640 3 6229.17 0.00919497 4 1764.58 0.03745510 5 577.051 0.12204500 6 210.249 0.29899000 S 2 1 82.6178 0.405147 2 33.2332 0.292532 S 1 1 8.10649 1.000000 S 1 1 3.33403 1.000000 S 1 1 0.845544 1.000000 S 1 1 0.3282160 1.000000 S 1 1 0.0364035 1.000000 S 1 1 0.0176463 1.000000 S 1 1 0.0047000 1.0000000 P 3 1 891.054 0.00218429 2 211.016 0.0175891 3 67.6714 0.0817775 P 3 1 25.2715 0.245656 2 10.1390 0.433984 3 4.20186 0.362377 P 1 1 1.62507 1.000000 P 1 1 0.64377 1.000000 P 1 1 0.24613 1.000000 P 1 1 0.04544 1.000000 P 1 1 0.01616 1.000000 P 1 1 0.0047000 1.0000000 D 3 1 13.37 0.0316016 2 3.421 0.156879 3 1.063 0.390582 D 1 1 0.4580000 1.0000000 D 1 1 0.1145000 1.0000000 CALCIUM S 6 1 202699. 0.000222964 2 30382.5 0.00172932 3 6915.08 0.00900226 4 1959.02 0.0366699 5 640.936 0.119410 6 233.977 0.291825 S 2 1 92.2892 0.404415 2 37.2545 0.296313 S 1 1 9.13198 1.000000 S 1 1 3.81779 1.000000 S 1 1 1.04935 1.000000 S 1 1 0.428660 1.000000 S 1 1 0.0628226 1.000000 S 1 1 0.0260162 1.000000 S 1 1 0.0071000 1.0000000 P 3 1 1019.76 0.00205986 2 241.596 0.01665010 3 77.6370 0.07776460 P 3 1 29.1154 0.241806 2 11.7626 0.432578 3 4.92289 0.367325 P 1 1 1.90645 1.000000 P 1 1 0.73690 1.000000 P 1 1 0.27642 1.000000 P 1 1 0.06027 1.000000 P 1 1 0.01791 1.000000 P 1 1 0.0071000 1.0000000 D 3 1 15.08 0.0368947 2 3.926 0.1778200 3 1.233 0.4255130 D 1 1 0.5200000 1.0000000 D 1 1 0.1300000 1.0000000 $END