!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 2.1.0+44.g1191679.dirty ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: LANL08+ ! Description: LANL08+ diffuse ! Role: orbital ! Version: 0 (Values from the Original Basis Set Exchange) !---------------------------------------------------------------------- $DATA SCANDIUM S 1 1 3.7170000 1.0000000 S 1 1 1.0970000 1.0000000 S 1 1 0.4164000 1.0000000 S 1 1 0.0761000 1.0000000 S 1 1 0.0284000 1.0000000 P 1 1 10.4000000 1.0000000 P 1 1 1.3110000 1.0000000 P 1 1 0.4266000 1.0000000 P 1 1 0.0470000 1.0000000 P 1 1 0.0140000 1.0000000 D 1 1 15.1300000 1.0000000 D 1 1 4.2050000 1.0000000 D 1 1 1.3030000 1.0000000 D 1 1 0.3680000 1.0000000 D 1 1 0.0812000 1.0000000 D 1 1 0.0250000 1.0000000 TITANIUM S 1 1 4.3720000 1.0000000 S 1 1 1.0980000 1.0000000 S 1 1 0.4178000 1.0000000 S 1 1 0.0872000 1.0000000 S 1 1 0.0314000 1.0000000 P 1 1 12.5200000 1.0000000 P 1 1 1.4910000 1.0000000 P 1 1 0.4859000 1.0000000 P 1 1 0.0530000 1.0000000 P 1 1 0.0160000 1.0000000 D 1 1 20.2100000 1.0000000 D 1 1 5.4950000 1.0000000 D 1 1 1.6990000 1.0000000 D 1 1 0.4840000 1.0000000 D 1 1 0.1157000 1.0000000 D 1 1 0.0349000 1.0000000 VANADIUM S 1 1 4.5900000 1.0000000 S 1 1 1.4930000 1.0000000 S 1 1 0.5570000 1.0000000 S 1 1 0.0975000 1.0000000 S 1 1 0.0342000 1.0000000 P 1 1 13.7600000 1.0000000 P 1 1 1.7120000 1.0000000 P 1 1 0.5587000 1.0000000 P 1 1 0.0590000 1.0000000 P 1 1 0.0180000 1.0000000 D 1 1 25.7000000 1.0000000 D 1 1 6.5300000 1.0000000 D 1 1 2.0780000 1.0000000 D 1 1 0.6243000 1.0000000 D 1 1 0.1542000 1.0000000 D 1 1 0.0464000 1.0000000 CHROMIUM S 1 1 5.3610000 1.0000000 S 1 1 1.4490000 1.0000000 S 1 1 0.5496000 1.0000000 S 1 1 0.1052000 1.0000000 S 1 1 0.0364000 1.0000000 P 1 1 16.4200000 1.0000000 P 1 1 1.9140000 1.0000000 P 1 1 0.6241000 1.0000000 P 1 1 0.0630000 1.0000000 P 1 1 0.0190000 1.0000000 D 1 1 28.9500000 1.0000000 D 1 1 7.7080000 1.0000000 D 1 1 2.4950000 1.0000000 D 1 1 0.7655000 1.0000000 D 1 1 0.1889000 1.0000000 D 1 1 0.0587000 1.0000000 MANGANESE S 1 1 5.9140000 1.0000000 S 1 1 1.6050000 1.0000000 S 1 1 0.6260000 1.0000000 S 1 1 0.1115000 1.0000000 S 1 1 0.0380000 1.0000000 P 1 1 18.2000000 1.0000000 P 1 1 2.1410000 1.0000000 P 1 1 0.7009000 1.0000000 P 1 1 0.0690000 1.0000000 P 1 1 0.0210000 1.0000000 D 1 1 32.2700000 1.0000000 D 1 1 8.8750000 1.0000000 D 1 1 2.8900000 1.0000000 D 1 1 0.8761000 1.0000000 D 1 1 0.2120000 1.0000000 D 1 1 0.0670000 1.0000000 IRON S 1 1 6.4220000 1.0000000 S 1 1 1.8260000 1.0000000 S 1 1 0.7135000 1.0000000 S 1 1 0.1021000 1.0000000 S 1 1 0.0363000 1.0000000 P 1 1 19.4800000 1.0000000 P 1 1 2.3890000 1.0000000 P 1 1 0.7795000 1.0000000 P 1 1 0.0740000 1.0000000 P 1 1 0.0220000 1.0000000 D 1 1 37.0800000 1.0000000 D 1 1 10.1000000 1.0000000 D 1 1 3.2200000 1.0000000 D 1 1 0.9628000 1.0000000 D 1 1 0.2262000 1.0000000 D 1 1 0.0706000 1.0000000 COBALT S 1 1 7.1760000 1.0000000 S 1 1 2.0090000 1.0000000 S 1 1 0.8055000 1.0000000 S 1 1 0.1070000 1.0000000 S 1 1 0.0375000 1.0000000 P 1 1 21.3900000 1.0000000 P 1 1 2.6500000 1.0000000 P 1 1 0.8619000 1.0000000 P 1 1 0.0800000 1.0000000 P 1 1 0.0230000 1.0000000 D 1 1 39.2500000 1.0000000 D 1 1 10.7800000 1.0000000 D 1 1 3.4960000 1.0000000 D 1 1 1.0660000 1.0000000 D 1 1 0.2606000 1.0000000 D 1 1 0.0822000 1.0000000 NICKEL S 1 1 7.6200000 1.0000000 S 1 1 2.2940000 1.0000000 S 1 1 0.8760000 1.0000000 S 1 1 0.1153000 1.0000000 S 1 1 0.0396000 1.0000000 P 1 1 23.6600000 1.0000000 P 1 1 2.8930000 1.0000000 P 1 1 0.9435000 1.0000000 P 1 1 0.0840000 1.0000000 P 1 1 0.0240000 1.0000000 D 1 1 42.7200000 1.0000000 D 1 1 11.7600000 1.0000000 D 1 1 3.8170000 1.0000000 D 1 1 1.1690000 1.0000000 D 1 1 0.2836000 1.0000000 D 1 1 0.0898000 1.0000000 COPPER S 1 1 8.1760000 1.0000000 S 1 1 2.5680000 1.0000000 S 1 1 0.9587000 1.0000000 S 1 1 0.1153000 1.0000000 S 1 1 0.0396000 1.0000000 P 1 1 25.6300000 1.0000000 P 1 1 3.1660000 1.0000000 P 1 1 1.0230000 1.0000000 P 1 1 0.0860000 1.0000000 P 1 1 0.0240000 1.0000000 D 1 1 41.3400000 1.0000000 D 1 1 11.4200000 1.0000000 D 1 1 3.8390000 1.0000000 D 1 1 1.2300000 1.0000000 D 1 1 0.3102000 1.0000000 D 1 1 0.1010000 1.0000000 ZINC S 1 1 0.7997000 1.0000000 S 1 1 0.1752000 1.0000000 S 1 1 0.0556000 1.0000000 P 1 1 0.1202000 1.0000000 P 1 1 0.0351000 1.0000000 D 1 1 68.8500000 1.0000000 D 1 1 18.3200000 1.0000000 D 1 1 5.9220000 1.0000000 D 1 1 1.9270000 1.0000000 D 1 1 0.5528000 1.0000000 D 1 1 0.1700000 1.0000000 $END $ECP SC-ECP GEN 10 2 3 ----- d-ul potential ----- -10.0000000 1 237.3166528 -48.9695553 2 42.6489004 -8.7066044 2 10.6211229 5 ----- s-d potential ----- 3.0000000 0 69.2552324 17.0584559 1 58.8953416 167.9595412 2 27.2637459 179.8382113 2 5.4737304 -121.1523144 2 5.1523607 6 ----- p-d potential ----- 5.0000000 0 77.2512970 6.1088195 1 44.4527155 192.9384914 2 53.6854752 127.2274755 2 18.9421170 68.0945974 2 4.7970573 -41.6469108 2 4.4142925 TI-ECP GEN 10 2 3 ----- d-ul potential ----- -10.0000000 1 265.3263909 -51.8427816 2 47.7687815 -9.1429145 2 11.8903334 5 ----- s-d potential ----- 3.0000000 0 81.4730696 19.4825579 1 72.6496724 207.3349279 2 31.8128213 235.6744501 2 6.1664468 -166.8784387 2 5.8268347 5 ----- p-d potential ----- 5.0000000 0 50.2966943 5.5348822 1 63.5089754 177.8419384 2 26.0996084 107.4207153 2 5.6022573 -71.9065902 2 5.2171069 V-ECP GEN 10 2 3 ----- d-ul potential ----- -10.0000000 1 296.4487582 -54.8909808 2 53.5015052 -9.7010586 2 13.3204510 5 ----- s-d potential ----- 3.0000000 0 93.2193654 22.5345689 1 71.1029567 216.5634009 2 33.8766993 252.6822538 2 6.8691200 -176.2671654 2 6.4804722 5 ----- p-d potential ----- 5.0000000 0 52.0953977 5.7003555 1 65.6778411 182.9054274 2 27.4703764 117.2756226 2 6.2352020 -78.5829134 2 5.8139909 CR-ECP GEN 10 2 3 ----- d-ul potential ----- -10.0000000 1 329.2720539 -57.9409398 2 59.5487597 -10.2623285 2 14.8265966 5 ----- s-d potential ----- 3.0000000 0 100.0260653 25.2534599 1 67.8468124 210.6472366 2 34.6771006 235.2819587 2 7.6757005 -152.5343461 2 7.2077427 5 ----- p-d potential ----- 5.0000000 0 47.9723321 5.6390266 1 59.6224873 164.8362198 2 26.0432600 106.0168018 2 6.5582692 -69.8585468 2 6.1268236 MN-ECP GEN 10 2 3 ----- d-ul potential ----- -10.0000000 1 357.3914469 -60.2990287 2 64.6477389 -10.4217834 2 16.0960833 5 ----- s-d potential ----- 3.0000000 0 107.4127215 16.2591819 1 111.4958973 276.9373928 2 46.5568346 241.3174342 2 8.3688135 -146.4635329 2 7.7237489 5 ----- p-d potential ----- 5.0000000 0 80.0415103 5.7589756 1 105.6043646 285.2918654 2 40.8300466 143.4222647 2 8.0098457 -88.7031851 2 7.3390928 FE-ECP GEN 10 2 3 ----- d-ul potential ----- -10.0000000 1 392.6149787 -63.2667518 2 71.1756979 -10.9613338 2 17.7320281 5 ----- s-d potential ----- 3.0000000 0 126.0571895 18.1729137 1 138.1264251 339.1231164 2 54.2098858 317.1068012 2 9.2837966 -207.3421649 2 8.6289082 5 ----- p-d potential ----- 5.0000000 0 83.1759490 5.9535930 1 106.0559938 294.2665527 2 42.8284937 154.4244635 2 8.7701805 -95.3164249 2 8.0397818 CO-ECP GEN 10 2 3 ----- d-ul potential ----- -10.0000000 1 434.1076104 -66.7240276 2 78.8402758 -11.7192243 2 19.6037749 4 ----- s-d potential ----- 3.0000000 0 151.2307582 20.1553110 1 169.6790026 413.3762244 2 64.9909423 133.8727705 2 12.5076287 4 ----- p-d potential ----- 5.0000000 0 92.7319924 6.1892353 1 121.1910183 326.3215919 2 48.6265909 73.8788970 2 11.9966971 NI-ECP GEN 10 2 3 ----- d-ul potential ----- -10.0000000 1 469.9324331 -69.4084805 2 85.4236411 -12.0951020 2 21.2674984 4 ----- s-d potential ----- 3.0000000 0 162.1686097 22.0253618 1 176.5333232 443.0181088 2 68.9562010 145.5696411 2 13.5792838 4 ----- p-d potential ----- 5.0000000 0 69.0181506 4.9882824 1 275.5955596 256.6945853 2 47.1315453 78.4754450 2 12.9874075 CU-ECP GEN 10 2 3 ----- d-ul potential ----- -10.0000000 1 511.9951763 -72.5548282 2 93.2801074 -12.7450231 2 23.2206669 4 ----- s-d potential ----- 3.0000000 0 173.1180854 23.8351825 1 185.2419886 473.8930488 2 73.1517847 157.6345823 2 14.6884157 4 ----- p-d potential ----- 5.0000000 0 100.7191369 6.4990936 1 130.8345665 351.4605395 2 53.8683720 85.5016036 2 14.0989469 ZN-ECP GEN 18 3 5 ----- f-ul potential ----- -18.0000000 1 386.7379660 -124.3527403 2 72.8587359 -30.6601822 2 15.9066170 -10.6358989 2 4.3502340 -0.7683623 2 1.2842199 5 ----- s-f potential ----- 3.0000000 0 19.0867858 22.5234225 1 5.0231080 48.4465942 2 1.2701744 -44.5560119 2 1.0671287 12.9983958 2 0.9264190 5 ----- p-f potential ----- 5.0000000 0 43.4927750 20.7435589 1 20.8692669 90.3027158 2 21.7118378 74.6610316 2 6.3616915 9.8894424 2 1.2291195 3 ----- d-f potential ----- -4.8490359 2 13.5851800 3.6913379 2 9.8373050 -0.5037319 2 0.8373113 $END