!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 2.1.0+44.g1191679.dirty ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: LANL08(d) ! Description: LANL08 + polarization and diffuse ! Role: orbital ! Version: 0 (Values from the Original Basis Set Exchange) !---------------------------------------------------------------------- $DATA SILICON S 1 1 1.2220000 1.0000000 S 1 1 0.2595000 1.0000000 S 1 1 0.0931000 1.0000000 P 1 1 2.5800000 1.0000000 P 1 1 0.2984000 1.0000000 P 1 1 0.0885000 1.0000000 P 1 1 0.0237 1.0 D 1 1 0.2960 1.0 PHOSPHORUS S 1 1 1.5160000 1.0000000 S 1 1 0.3369000 1.0000000 S 1 1 0.1211000 1.0000000 P 1 1 3.7050000 1.0000000 P 1 1 0.3934000 1.0000000 P 1 1 0.1190000 1.0000000 P 1 1 0.0298 1.0 D 1 1 0.3640 1.0 SULFUR S 1 1 1.8500000 1.0000000 S 1 1 0.4035000 1.0000000 S 1 1 0.1438000 1.0000000 P 1 1 4.9450000 1.0000000 P 1 1 0.4870000 1.0000000 P 1 1 0.1379000 1.0000000 P 1 1 0.0347 1.0 D 1 1 0.4960 1.0 CHLORINE S 1 1 2.2310000 1.0000000 S 1 1 0.4720000 1.0000000 S 1 1 0.1631000 1.0000000 P 1 1 6.2960000 1.0000000 P 1 1 0.6333000 1.0000000 P 1 1 0.1819000 1.0000000 P 1 1 0.0467 1.0 D 1 1 0.6480 1.0 GERMANIUM S 1 1 0.8935000 1.0000000 S 1 1 0.4424000 1.0000000 S 1 1 0.1162000 1.0000000 P 1 1 1.8770000 1.0000000 P 1 1 0.2623000 1.0000000 P 1 1 0.0798000 1.0000000 P 1 1 0.0209 1.0 D 1 1 0.2460 1.0 ARSENIC S 1 1 0.9635000 1.0000000 S 1 1 0.5427000 1.0000000 S 1 1 0.1407000 1.0000000 P 1 1 2.0840000 1.0000000 P 1 1 0.3224000 1.0000000 P 1 1 0.1020000 1.0000000 P 1 1 0.0263 1.0 D 1 1 0.2860 1.0 SELENIUM S 1 1 1.0330000 1.0000000 S 1 1 0.6521000 1.0000000 S 1 1 0.1660000 1.0000000 P 1 1 2.3660000 1.0000000 P 1 1 0.3833000 1.0000000 P 1 1 0.1186000 1.0000000 P 1 1 0.0328 1.0 D 1 1 0.3630 1.0 BROMINE S 1 1 1.1590000 1.0000000 S 1 1 0.7107000 1.0000000 S 1 1 0.1905000 1.0000000 P 1 1 2.6910000 1.0000000 P 1 1 0.4446000 1.0000000 P 1 1 0.1377000 1.0000000 P 1 1 0.0376 1.0 D 1 1 0.4340 1.0 TIN S 1 1 0.5418000 1.0000000 S 1 1 0.3784000 1.0000000 S 1 1 0.0926000 1.0000000 P 1 1 1.0470000 1.0000000 P 1 1 0.1932000 1.0000000 P 1 1 0.0630000 1.0000000 P 1 1 0.0174 1.0 D 1 1 0.1860 1.0 ANTIMONY S 1 1 0.5863000 1.0000000 S 1 1 0.4293000 1.0000000 S 1 1 0.1078000 1.0000000 P 1 1 1.1110000 1.0000000 P 1 1 0.2365000 1.0000000 P 1 1 0.0800000 1.0000000 P 1 1 0.0220 1.0 D 1 1 0.2070 1.0 TELLURIUM S 1 1 0.6938000 1.0000000 S 1 1 0.4038000 1.0000000 S 1 1 0.1165000 1.0000000 P 1 1 1.2310000 1.0000000 P 1 1 0.2756000 1.0000000 P 1 1 0.0911000 1.0000000 P 1 1 0.0274 1.0 D 1 1 0.2500 1.0 IODINE S 1 1 0.7242000 1.0000000 S 1 1 0.4653000 1.0000000 S 1 1 0.1336000 1.0000000 P 1 1 1.2900000 1.0000000 P 1 1 0.3180000 1.0000000 P 1 1 0.1053000 1.0000000 P 1 1 0.0308 1.0 D 1 1 0.2940 1.0 LEAD S 1 1 0.5135000 1.0000000 S 1 1 0.3756000 1.0000000 S 1 1 0.0944000 1.0000000 P 1 1 0.8748000 1.0000000 P 1 1 0.1843000 1.0000000 P 1 1 0.0598000 1.0000000 P 1 1 0.0168 1.0 D 1 1 0.1790 1.0 BISMUTH S 1 1 0.5744000 1.0000000 S 1 1 0.3851000 1.0000000 S 1 1 0.1050000 1.0000000 P 1 1 0.9105000 1.0000000 P 1 1 0.2194000 1.0000000 P 1 1 0.0745000 1.0000000 P 1 1 0.0204 1.0 D 1 1 0.1920 1.0 $END $ECP SI-ECP GEN 10 2 5 ----- d-ul potential ----- -10.0000000 1 505.3137693 -84.9236087 2 103.2221026 -30.3299410 2 23.4569248 -12.1049046 2 6.7505693 -1.8945408 2 2.1603140 5 ----- s-d potential ----- 3.0000000 0 689.4910719 60.5206833 1 114.1728510 201.3086137 2 35.7424336 65.9399745 2 9.4529586 19.0300789 2 2.2543590 6 ----- p-d potential ----- 5.0000000 0 88.9379355 6.6413817 1 76.7773538 247.5972416 2 56.1480987 129.3715380 2 21.1874014 47.4617107 2 6.8277276 11.7376574 2 2.1001192 P-ECP GEN 10 2 5 ----- d-ul potential ----- -10.0000000 1 462.1211423 -79.4864658 2 93.6863701 -28.3668251 2 21.2349094 -9.8577589 2 6.3388415 -1.0163783 2 2.0620684 5 ----- s-d potential ----- 3.0000000 0 78.0831823 12.9104154 1 58.9576810 150.0250298 2 36.0571255 71.7083146 2 11.2464453 23.0397012 2 2.6757561 6 ----- p-d potential ----- 5.0000000 0 75.1617880 6.3446507 1 57.4544041 198.5585104 2 47.9481748 111.1470820 2 18.4588360 40.3944144 2 5.9414190 6.4483233 2 1.8487507 S-ECP GEN 10 2 5 ----- d-ul potential ----- -10.0000000 1 532.6685222 -85.3593846 2 108.1342248 -30.4513290 2 24.5697664 -10.3745886 2 7.3702438 -0.9899295 2 2.3712569 5 ----- s-d potential ----- 3.0000000 0 106.3176781 10.6284036 1 100.8245833 223.6360469 2 53.5858472 93.6460845 2 15.3706332 28.7609065 2 3.1778402 6 ----- p-d potential ----- 5.0000000 0 101.9709185 6.0969842 1 93.2808973 285.4425500 2 65.1431772 147.1448413 2 24.6347440 53.6569778 2 7.8120535 8.9249559 2 2.3112730 CL-ECP GEN 10 2 5 ----- d-ul potential ----- -10.0000000 1 94.8130000 66.2729170 2 165.6440000 -28.9685950 2 30.8317000 -12.8663370 2 10.5841000 -1.7102170 2 3.7704000 5 ----- s-d potential ----- 3.0000000 0 128.8391000 12.8528510 1 120.3786000 275.6723980 2 63.5622000 115.6777120 2 18.0695000 35.0606090 2 3.8142000 6 ----- p-d potential ----- 5.0000000 0 216.5263000 7.4794860 1 46.5723000 613.0320000 2 147.4685000 280.8006850 2 48.9869000 107.8788240 2 13.2096000 15.3439560 2 3.1831000 GE-ECP GEN 28 3 5 ----- f-ul potential ----- -28.0000000 1 318.2167583 -180.9891676 2 61.5370967 -55.0043909 2 13.2986899 -19.7906526 2 3.8985215 -1.8533572 2 1.2137666 5 ----- s-f potential ----- 3.0000000 0 205.1886932 65.2262558 1 68.9790278 225.2354522 2 27.9194879 94.0125472 2 8.5481650 29.9415005 2 2.3173734 5 ----- p-f potential ----- 5.0000000 0 33.2488002 23.4778157 1 15.7777247 45.0980414 2 14.9260722 56.3326957 2 5.8416394 16.6058640 2 1.8349575 5 ----- d-f potential ----- 3.0000000 0 42.0206343 23.7371518 1 19.2096363 56.4792249 2 9.4133917 25.8901835 2 3.3282907 3.0229836 2 0.8522331 AS-ECP GEN 28 3 5 ----- f-ul potential ----- -28.0000000 1 375.4748803 -198.3687357 2 72.6554769 -60.4563798 2 15.9162677 -22.3188274 2 4.6420251 -2.1638290 2 1.4789182 5 ----- s-f potential ----- 3.0000000 0 105.8853870 31.8486777 1 62.5951846 200.9958215 2 34.5017431 102.6387604 2 10.3758594 34.1845359 2 2.5379347 5 ----- p-f potential ----- 5.0000000 0 37.6471440 24.2505747 1 17.2034665 48.9174963 2 18.9075709 66.5332259 2 6.8153452 19.6577666 2 2.0611853 5 ----- d-f potential ----- 3.0000000 0 52.0731335 23.3460712 1 28.0037824 80.7854919 2 14.7051208 40.2681347 2 4.7973194 4.8332790 2 1.1062763 SE-ECP GEN 28 3 5 ----- f-ul potential ----- -28.0000000 1 433.1931336 -214.3841762 2 83.8952157 -65.6918782 2 18.5839139 -24.6153932 2 5.3955286 -2.4481497 2 1.7474326 5 ----- s-f potential ----- 3.0000000 0 202.8986193 62.0295390 1 78.3820487 258.8555984 2 35.0753037 118.7800153 2 10.8769543 38.2355279 2 2.8005941 5 ----- p-f potential ----- 5.0000000 0 44.3011875 24.7973458 1 20.3874206 63.7575640 2 23.1889948 79.0512831 2 7.9777664 22.9520183 2 2.2988146 5 ----- d-f potential ----- 3.0000000 0 73.3628263 22.4705907 1 48.3835618 140.5492887 2 25.6297211 63.5781835 2 7.1705822 7.0753614 2 1.3639538 BR-ECP GEN 28 3 4 ----- f-ul potential ----- -28.0000000 1 213.6143969 -134.9268852 2 41.0585380 -41.9271913 2 8.7086530 -5.9336420 2 2.6074661 4 ----- s-f potential ----- 3.0000000 0 54.1980682 27.3430642 1 32.9053558 118.8028847 2 13.6744890 43.4354876 2 3.0341152 5 ----- p-f potential ----- 5.0000000 0 54.2563340 25.0504252 1 26.0095593 92.6157463 2 28.2012995 95.8249016 2 9.4341061 26.2684983 2 2.5321764 5 ----- d-f potential ----- 3.0000000 0 87.6328721 22.5533557 1 61.7373377 178.1241988 2 32.4385104 76.9924162 2 8.7537199 9.4818270 2 1.6633189 SN-ECP GEN 46 3 5 ----- f-ul potential ----- -0.0665380 0 0.2169021 -29.7469416 1 33.3097182 -61.8307278 2 9.8846832 -18.9410634 2 2.5019593 -2.2384982 2 0.7833323 5 ----- s-f potential ----- 2.9482777 0 155.6062293 63.7614718 1 56.5145464 230.5276788 2 22.6583648 85.0713314 2 6.5837080 28.8215644 2 1.5947702 5 ----- p-f potential ----- 2.6941946 0 40.4666705 44.8271079 1 13.6218440 57.6223370 2 4.1092688 -44.6853312 2 1.5046137 57.1351815 2 1.3646762 5 ----- d-f potential ----- 3.0259297 0 60.1915052 39.5341071 1 20.4961142 68.4686504 2 8.4438328 29.1123764 2 2.6103790 5.8428577 2 0.6501317 SB-ECP GEN 46 3 6 ----- f-ul potential ----- -0.0692261 0 227.2723558 -31.5434712 1 77.1429882 -115.8407306 2 26.0116501 -42.0224212 2 9.1421159 -20.0463938 2 2.9281082 -2.8796028 2 0.9231136 5 ----- s-f potential ----- 2.9331303 0 116.0010888 44.1104819 1 59.6755065 228.0198050 2 27.6135849 92.5610162 2 7.8045081 31.2537244 2 1.6934418 5 ----- p-f potential ----- 4.9947369 0 27.8050796 38.0223860 1 10.3929685 62.0520654 2 3.6381067 -49.5489389 2 1.9839681 51.3666000 2 1.5546562 5 ----- d-f potential ----- 2.9738470 0 83.2183030 41.6495825 1 30.3070501 104.5919562 2 13.2014120 42.3187857 2 3.6961611 7.9413503 2 0.7711144 TE-ECP GEN 46 3 6 ----- f-ul potential ----- -0.0719675 0 285.0323292 -31.3740754 1 75.9105798 -112.9711996 2 26.1827859 -41.9599185 2 9.0635141 -19.1274006 2 2.9543257 -2.2917778 2 0.9169942 5 ----- s-f potential ----- 2.9286639 0 188.3327504 68.9626773 1 68.6306921 276.9637063 2 27.4402195 104.4701765 2 7.8835282 34.8384805 2 1.8443362 5 ----- p-f potential ----- 4.9732188 0 54.0822795 38.8983634 1 28.5434714 137.3139246 2 16.8660857 69.7370323 2 5.5244176 22.7487178 2 1.4625225 5 ----- d-f potential ----- 3.1548778 0 34.5312648 33.1153649 1 11.2699366 210.3056318 2 2.2704361 -321.1963746 2 1.7766992 152.4853001 2 1.4251666 I-ECP GEN 46 3 5 ----- f-ul potential ----- -0.0747621 0 1.0715702 -30.0811224 1 44.1936028 -75.3722721 2 12.9367609 -22.0563758 2 3.1956412 -1.6979585 2 0.8589806 5 ----- s-f potential ----- 2.9380036 0 127.9202670 41.2471267 1 78.6211465 287.8680095 2 36.5146237 114.3758506 2 9.9065681 37.6547714 2 1.9420086 5 ----- p-f potential ----- 2.2222630 0 13.0035304 39.4090831 1 76.0331404 177.4075002 2 24.1961684 77.9889462 2 6.4053433 25.7547641 2 1.5851786 5 ----- d-f potential ----- 7.0524360 0 40.4278108 33.3041635 1 28.9084375 186.9453875 2 15.6268936 71.9688361 2 4.1442856 9.3630657 2 0.9377235 PB-ECP GEN 78 4 6 ----- g-ul potential ----- -0.1789605 0 376.5803786 -54.3972337 1 86.4840014 -199.7061759 2 26.6784276 -79.1223941 2 9.4261986 -24.9869020 2 2.7101719 -4.4397939 2 0.8792031 6 ----- s-g potential ----- 2.8115386 0 132.4248796 65.0367205 1 47.2376044 212.7868545 2 17.6312727 72.1053175 2 5.4744712 33.0140940 2 1.2634856 -5.7708461 2 0.7651447 6 ----- p-g potential ----- 4.8754911 0 67.8966454 63.9148102 1 24.9898225 148.1064358 2 10.7052939 47.3106301 2 3.2792568 21.0306702 2 0.8452522 -7.0930772 2 0.6416245 6 ----- d-g potential ----- 3.2161388 0 68.8336005 55.7386086 1 24.2815874 121.4168351 2 9.4532762 19.3456064 2 2.4788185 15.3675168 2 2.4789161 6.1298724 2 0.5551738 6 ----- f-g potential ----- 4.1353682 0 128.1021322 67.5128446 1 54.8029154 258.7373107 2 24.5529308 113.2478264 2 8.1144792 34.1680201 2 1.6931290 -6.5531956 2 0.7670500 BI-ECP GEN 78 4 6 ----- g-ul potential ----- -0.1833520 0 223.3091971 -53.3389492 1 86.4699216 -201.9117841 2 26.8492203 -76.3115295 2 9.3823622 -24.2578468 2 2.7614708 -4.0319700 2 0.9423923 6 ----- s-g potential ----- 2.7916510 0 155.9783914 71.8553817 1 54.4591139 252.4327444 2 20.1794558 89.6045109 2 6.1273104 61.1744136 2 1.1805983 -33.0471906 2 0.9932464 6 ----- p-g potential ----- 4.8462914 0 74.5091386 65.6883396 1 28.0487647 166.2619673 2 12.0168508 54.1393329 2 3.6914327 28.6204880 2 0.9080824 -12.3452204 2 0.7394617 6 ----- d-g potential ----- 3.2183832 0 68.0856679 54.8952681 1 23.7250355 116.5540708 2 9.2437053 69.0760662 2 1.8452292 -72.6410870 2 1.2209859 38.9400055 2 0.8740861 6 ----- f-g potential ----- 3.9864075 0 134.3538983 63.0262078 1 51.5812797 92.5259959 2 54.9307284 240.9973672 2 17.0475346 62.1844577 2 3.7702824 -1.7251134 2 0.7670500 $END