!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 2.1.0+44.g1191679.dirty ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: 6-311G(2df,2pd) ! Description: 6-311G(2df,2pd) ! 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 P 1 1 1.5000000 1.0000000 P 1 1 0.3750000 1.0000000 D 1 1 1.0000 1.000000 HELIUM S 3 1 98.12430 0.0287452 2 14.76890 0.208061 3 3.318830 0.837635 S 1 1 0.874047 1.000000 S 1 1 0.244564 1.000000 P 1 1 1.5000000 1.0000000 P 1 1 0.3750000 1.0000000 D 1 1 2.0000 1.000000 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 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 D 1 1 0.4000000 1.0000000 D 1 1 0.1000000 1.0000000 F 1 1 0.1500000 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 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 D 1 1 0.5100000 1.0000000 D 1 1 0.1275000 1.0000000 F 1 1 0.2600000 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 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 D 1 1 0.8020000 1.0000000 D 1 1 0.2005000 1.0000000 F 1 1 0.5000000 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 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 D 1 1 1.2520000 1.0000000 D 1 1 0.3130000 1.0000000 F 1 1 0.8000000 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 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 D 1 1 1.8260000 1.0000000 D 1 1 0.4565000 1.0000000 F 1 1 1.0000000 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 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 D 1 1 2.5840000 1.0000000 D 1 1 0.6460000 1.0000000 F 1 1 1.4000000 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 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 D 1 1 3.5000000 1.0000000 D 1 1 0.8750000 1.0000000 F 1 1 1.8500000 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 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 D 1 1 4.6080000 1.0000000 D 1 1 1.1520000 1.0000000 F 1 1 2.5000000 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 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 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 F 1 1 1.1100000 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 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 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 F 1 1 1.3300000 1.0000000 $END