!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 2.1.0+44.g1191679.dirty ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: 6-31G(3df,3pd) ! Description: 6-31G(3df,3pd) ! Role: orbital ! Version: 0 (Data from the original Basis Set Exchange) !---------------------------------------------------------------------- $DATA HYDROGEN S 3 1 18.7311370 0.03349460 2 2.8253937 0.23472695 3 0.6401217 0.81375733 S 1 1 0.1612778 1.00000000 P 1 1 3.0000 1.000000 P 1 1 0.7500 1.000000 P 1 1 0.1875 1.000000 D 1 1 1.0000 1.000000 HELIUM S 3 1 38.4216340 0.0237660 2 5.7780300 0.1546790 3 1.2417740 0.4696300 S 1 1 0.2979640 1.0000000 P 1 1 3.0000 1.000000 P 1 1 0.7500 1.000000 P 1 1 0.1875 1.000000 D 1 1 2.0000 1.000000 LITHIUM S 6 1 642.4189200 0.0021426 2 96.7985150 0.0162089 3 22.0911210 0.0773156 4 6.2010703 0.2457860 5 1.9351177 0.4701890 6 0.6367358 0.3454708 S 3 1 2.3249184 -0.0350917 2 0.6324306 -0.1912328 3 0.0790534 1.0839878 S 1 1 0.0359620 1.0000000 P 3 1 2.3249184 0.0089415 2 0.6324306 0.1410095 3 0.0790534 0.9453637 P 1 1 0.0359620 1.0000000 D 1 1 0.800 1.000000 D 1 1 0.200 1.000000 D 1 1 0.050 1.000000 F 1 1 0.150 1.000000 BERYLLIUM S 6 1 1264.5857000 0.0019448 2 189.9368100 0.0148351 3 43.1590890 0.0720906 4 12.0986630 0.2371542 5 3.8063232 0.4691987 6 1.2728903 0.3565202 S 3 1 3.1964631 -0.1126487 2 0.7478133 -0.2295064 3 0.2199663 1.1869167 S 1 1 0.0823099 1.0000000 P 3 1 3.1964631 0.0559802 2 0.7478133 0.2615506 3 0.2199663 0.7939723 P 1 1 0.0823099 1.0000000 D 1 1 1.02000 1.000000 D 1 1 0.25500 1.000000 D 1 1 0.06375 1.000000 F 1 1 0.260 1.000000 BORON S 6 1 2068.8823000 0.0018663 2 310.6495700 0.0142515 3 70.6830330 0.0695516 4 19.8610800 0.2325729 5 6.2993048 0.4670787 6 2.1270270 0.3634314 S 3 1 4.7279710 -0.1303938 2 1.1903377 -0.1307889 3 0.3594117 1.1309444 S 1 1 0.1267512 1.0000000 P 3 1 4.7279710 0.0745976 2 1.1903377 0.3078467 3 0.3594117 0.7434568 P 1 1 0.1267512 1.0000000 D 1 1 1.60400 1.000000 D 1 1 0.40100 1.000000 D 1 1 0.10025 1.000000 F 1 1 0.50000 1.000000 CARBON S 6 1 3047.5249000 0.0018347 2 457.3695100 0.0140373 3 103.9486900 0.0688426 4 29.2101550 0.2321844 5 9.2866630 0.4679413 6 3.1639270 0.3623120 S 3 1 7.8682724 -0.1193324 2 1.8812885 -0.1608542 3 0.5442493 1.1434564 S 1 1 0.1687144 1.0000000 P 3 1 7.8682724 0.0689991 2 1.8812885 0.3164240 3 0.5442493 0.7443083 P 1 1 0.1687144 1.0000000 D 1 1 2.50400 1.000000 D 1 1 0.62600 1.000000 D 1 1 0.15650 1.000000 F 1 1 0.80000 1.000000 NITROGEN S 6 1 4173.5110000 0.0018348 2 627.4579000 0.0139950 3 142.9021000 0.0685870 4 40.2343300 0.2322410 5 12.8202100 0.4690700 6 4.3904370 0.3604550 S 3 1 11.6263580 -0.1149610 2 2.7162800 -0.1691180 3 0.7722180 1.1458520 S 1 1 0.2120313 1.0000000 P 3 1 11.6263580 0.0675800 2 2.7162800 0.3239070 3 0.7722180 0.7408950 P 1 1 0.2120313 1.0000000 D 1 1 3.65200 1.000000 D 1 1 0.91300 1.000000 D 1 1 0.22825 1.000000 F 1 1 1.00000 1.000000 OXYGEN S 6 1 5484.6717000 0.0018311 2 825.2349500 0.0139501 3 188.0469600 0.0684451 4 52.9645000 0.2327143 5 16.8975700 0.4701930 6 5.7996353 0.3585209 S 3 1 15.5396160 -0.1107775 2 3.5999336 -0.1480263 3 1.0137618 1.1307670 S 1 1 0.2700058 1.0000000 P 3 1 15.5396160 0.0708743 2 3.5999336 0.3397528 3 1.0137618 0.7271586 P 1 1 0.2700058 1.0000000 D 1 1 5.16000 1.000000 D 1 1 1.29200 1.000000 D 1 1 0.32250 1.000000 F 1 1 1.40000 1.000000 FLUORINE S 6 1 7001.7130900 0.0018196169 2 1051.3660900 0.0139160796 3 239.2856900 0.0684053245 4 67.3974453 0.233185760 5 21.5199573 0.471267439 6 7.40310130 0.356618546 S 3 1 20.8479528 -0.108506975 2 4.80830834 -0.146451658 3 1.34406986 1.128688580 S 1 1 0.358151393 1.0000000 P 3 1 20.8479528 0.0716287243 2 4.80830834 0.3459121030 3 1.34406986 0.7224699570 P 1 1 0.358151393 1.0000000 D 1 1 7.0000 1.000000 D 1 1 1.7500 1.000000 D 1 1 0.43750 1.000000 F 1 1 1.85000 1.000000 NEON S 6 1 8425.8515300 0.0018843481 2 1268.5194000 0.0143368994 3 289.6214140 0.0701096233 4 81.8590040 0.2373732660 5 26.2515079 0.4730071260 6 9.09472051 0.3484012410 S 3 1 26.5321310 -0.107118287 2 6.10175501 -0.146163821 3 1.69627153 1.127773500 S 1 1 0.44581870 1.0000000 P 3 1 26.5321310 0.0719095885 2 6.10175501 0.3495133720 3 1.69627153 0.7199405120 P 1 1 0.44581870 1.0000000 D 1 1 9.2160 1.000000 D 1 1 2.3040 1.000000 D 1 1 0.5760 1.000000 F 1 1 2.50000 1.000000 SODIUM S 6 1 9993.2000000 0.0019377 2 1499.8900000 0.0148070 3 341.9510000 0.0727060 4 94.6797000 0.2526290 5 29.7345000 0.4932420 6 10.0063000 0.3131690 S 6 1 150.9630000 -0.0035421 2 35.5878000 -0.0439590 3 11.1683000 -0.1097521 4 3.9020100 0.1873980 5 1.3817700 0.6466990 6 0.4663820 0.3060580 S 3 1 0.4979660 -0.2485030 2 0.0843530 -0.1317040 3 0.0666350 1.2335200 S 1 1 0.0259544 1.0000000 P 6 1 150.9630000 0.0050017 2 35.5878000 0.0355110 3 11.1683000 0.1428250 4 3.9020100 0.3386200 5 1.3817700 0.4515790 6 0.4663820 0.2732710 P 3 1 0.4979660 -0.0230230 2 0.0843530 0.9503590 3 0.0666350 0.0598580 P 1 1 0.0259544 1.0000000 D 1 1 0.7000 1.000000 D 1 1 0.1750 1.000000 D 1 1 0.04375 1.000000 F 1 1 0.15000 1.000000 MAGNESIUM S 6 1 11722.8000000 0.0019778 2 1759.9300000 0.0151140 3 400.8460000 0.0739110 4 112.8070000 0.2491910 5 35.9997000 0.4879280 6 12.1828000 0.3196620 S 6 1 189.1800000 -0.0032372 2 45.2119000 -0.0410080 3 14.3563000 -0.1126000 4 5.1388600 0.1486330 5 1.9065200 0.6164970 6 0.7058870 0.3648290 S 3 1 0.9293400 -0.2122900 2 0.2690350 -0.1079850 3 0.1173790 1.1758400 S 1 1 0.0421061 1.0000000 P 6 1 189.1800000 0.0049281 2 45.2119000 0.0349890 3 14.3563000 0.1407250 4 5.1388600 0.3336420 5 1.9065200 0.4449400 6 0.7058870 0.2692540 P 3 1 0.9293400 -0.0224190 2 0.2690350 0.1922700 3 0.1173790 0.8461810 P 1 1 0.0421061 1.0000000 D 1 1 0.7000 1.000000 D 1 1 0.1750 1.000000 D 1 1 0.04375 1.000000 F 1 1 0.20000 1.000000 ALUMINUM S 6 1 13983.1000000 0.00194267 2 2098.7500000 0.0148599 3 477.7050000 0.0728494 4 134.3600000 0.2468300 5 42.8709000 0.4872580 6 14.5189000 0.3234960 S 6 1 239.6680000 -0.00292619 2 57.4419000 -0.0374080 3 18.2859000 -0.1144870 4 6.5991400 0.1156350 5 2.4904900 0.6125950 6 0.9445400 0.3937990 S 3 1 1.2779000 -0.2276060 2 0.3975900 0.00144583 3 0.1600950 1.0927900 S 1 1 0.0556577 1.0000000 P 6 1 239.6680000 0.00460285 2 57.4419000 0.0331990 3 18.2859000 0.1362820 4 6.5991400 0.3304760 5 2.4904900 0.4491460 6 0.9445400 0.2657040 P 3 1 1.2779000 -0.0175130 2 0.3975900 0.2445330 3 0.1600950 0.8049340 P 1 1 0.0556577 1.0000000 D 1 1 1.3000 1.000000 D 1 1 0.3250 1.000000 D 1 1 0.08125 1.000000 F 1 1 0.25000 1.000000 SILICON S 6 1 16115.9000000 0.00195948 2 2425.5800000 0.01492880 3 553.8670000 0.07284780 4 156.3400000 0.24613000 5 50.0683000 0.48591400 6 17.0178000 0.32500200 S 6 1 292.7180000 -0.00278094 2 69.8731000 -0.03571460 3 22.3363000 -0.11498500 4 8.1503900 0.09356340 5 3.1345800 0.60301700 6 1.2254300 0.41895900 S 3 1 1.7273800 -0.24463000 2 0.5729220 0.00431572 3 0.2221920 1.09818000 S 1 1 0.0778369 1.00000000 P 6 1 292.7180000 0.00443826 2 69.8731000 0.03266790 3 22.3363000 0.13472100 4 8.1503900 0.32867800 5 3.1345800 0.44964000 6 1.2254300 0.26137200 P 3 1 1.7273800 -0.01779510 2 0.5729220 0.25353900 3 0.2221920 0.80066900 P 1 1 0.0778369 1.00000000 D 1 1 1.8000 1.000000 D 1 1 0.4500 1.000000 D 1 1 0.1125 1.000000 F 1 1 0.32000 1.000000 PHOSPHORUS S 6 1 19413.3000000 0.0018516 2 2909.4200000 0.0142062 3 661.3640000 0.0699995 4 185.7590000 0.2400790 5 59.1943000 0.4847620 6 20.0310000 0.3352000 S 6 1 339.4780000 -0.00278217 2 81.0101000 -0.0360499 3 25.8780000 -0.1166310 4 9.4522100 0.0968328 5 3.6656600 0.6144180 6 1.4674600 0.4037980 S 3 1 2.1562300 -0.2529230 2 0.7489970 0.0328517 3 0.2831450 1.0812500 S 1 1 0.0998317 1.0000000 P 6 1 339.4780000 0.00456462 2 81.0101000 0.03369360 3 25.8780000 0.13975500 4 9.4522100 0.33936200 5 3.6656600 0.45092100 6 1.4674600 0.23858600 P 3 1 2.1562300 -0.01776530 2 0.7489970 0.27405800 3 0.2831450 0.78542100 P 1 1 0.0998317 1.00000000 D 1 1 2.2000 1.000000 D 1 1 0.5500 1.000000 D 1 1 0.1375 1.000000 F 1 1 0.45000 1.000000 SULFUR S 6 1 21917.1000000 0.0018690 2 3301.4900000 0.0142300 3 754.1460000 0.0696960 4 212.7110000 0.2384870 5 67.9896000 0.4833070 6 23.0515000 0.3380740 S 6 1 423.7350000 -0.0023767 2 100.7100000 -0.0316930 3 32.1599000 -0.1133170 4 11.8079000 0.0560900 5 4.6311000 0.5922550 6 1.8702500 0.4550060 S 3 1 2.6158400 -0.2503740 2 0.9221670 0.0669570 3 0.3412870 1.0545100 S 1 1 0.1171670 1.0000000 P 6 1 423.7350000 0.0040610 2 100.7100000 0.0306810 3 32.1599000 0.1304520 4 11.8079000 0.3272050 5 4.6311000 0.4528510 6 1.8702500 0.2560420 P 3 1 2.6158400 -0.0145110 2 0.9221670 0.3102630 3 0.3412870 0.7544830 P 1 1 0.1171670 1.0000000 D 1 1 2.6000 1.000000 D 1 1 0.6500 1.000000 D 1 1 0.1625 1.000000 F 1 1 0.55000 1.000000 CHLORINE S 6 1 25180.1000000 0.0018330 2 3780.3500000 0.0140340 3 860.4740000 0.0690970 4 242.1450000 0.2374520 5 77.3349000 0.4830340 6 26.2470000 0.3398560 S 6 1 491.7650000 -0.0022974 2 116.9840000 -0.0307140 3 37.4153000 -0.1125280 4 13.7834000 0.0450160 5 5.4521500 0.5893530 6 2.2258800 0.4652060 S 3 1 3.1864900 -0.2518300 2 1.1442700 0.0615890 3 0.4203770 1.0601800 S 1 1 0.1426570 1.0000000 P 6 1 491.7650000 0.0039894 2 116.9840000 0.0303180 3 37.4153000 0.1298800 4 13.7834000 0.3279510 5 5.4521500 0.4535270 6 2.2258800 0.2521540 P 3 1 3.1864900 -0.0142990 2 1.1442700 0.3235720 3 0.4203770 0.7435070 P 1 1 0.1426570 1.0000000 D 1 1 3.0000 1.000000 D 1 1 0.7500 1.000000 D 1 1 0.1875 1.000000 F 1 1 0.70000 1.000000 ARGON S 6 1 28348.3000000 0.00182526 2 4257.6200000 0.01396860 3 969.8570000 0.06870730 4 273.2630000 0.23620400 5 87.3695000 0.48221400 6 29.6867000 0.34204300 S 6 1 575.8910000 -0.00215972 2 136.8160000 -0.02907750 3 43.8098000 -0.11082700 4 16.2094000 0.02769990 5 6.4608400 0.57761300 6 2.6511400 0.48868800 S 3 1 3.8602800 -0.2555920 2 1.4137300 0.0378066 3 0.5166460 1.0805600 S 1 1 0.1738880 1.0000000 P 6 1 575.8910000 0.00380665 2 136.8160000 0.02923050 3 43.8098000 0.12646700 4 16.2094000 0.32351000 5 6.4608400 0.45489600 6 2.6511400 0.25663000 P 3 1 3.8602800 -0.01591970 2 1.4137300 0.32464600 3 0.5166460 0.74399000 P 1 1 0.1738880 1.0000000 D 1 1 3.4000 1.000000 D 1 1 0.8500 1.000000 D 1 1 0.2125 1.000000 F 1 1 0.85000 1.000000 $END