# DZP (Dunning) EMSL Basis Set Exchange Library 3/15/13 10:18 AM # T.H. DUNNING, JR., J. CHEM. PHYS. 53, 2823 (1970). # T.H. DUNNING, JR. AND P.J. HAY, IN METHODS OF ELECTRONIC STRUCTURE THEORY, # VOL. 2, H.F. SCHAEFER III, ED., PLENUM PRESS (1977). # # H - F: T.H. DUNNING JR. AND P.J. HAY, IN METHODS OF ELECTRONIC STRUCTURE # THEORY VOL. 2, H.F. SCHAEFER III, ED., PLENUM PRESS (1977). # Si - Cl: E. MAGNUSSON AND H.F. SCHAEFER III, JCP 83, 5721 (1985). # basis "H_DZP (Dunning)" CARTESIAN H S 19.2406000 0.0328280 2.8992000 0.2312080 0.6534000 0.8172380 H S 0.1776000 1.0000000 H P 1.0000000 1.0000000 end basis "Li_DZP (Dunning)" CARTESIAN Li S 921.3000000 0.0013670 138.7000000 0.0104250 31.9400000 0.0498590 9.3530000 0.1607010 3.1580000 0.3446040 1.1570000 0.4251970 Li S 0.4446000 1.0000000 Li S 0.0766600 1.0000000 Li S 0.0286400 1.0000000 Li P 1.4880000 0.0387700 0.2667000 0.2362570 0.0720100 0.8304480 Li P 0.0237000 1.0000000 Li D 0.2000000 1.0000000 end basis "B_DZP (Dunning)" CARTESIAN B S 2788.4100000 0.0021220 419.0390000 0.0161710 96.4683000 0.0783560 28.0694000 0.2632500 9.3760000 0.5967290 1.3057000 0.2303970 B S 3.4062000 1.0000000 B S 0.3245000 1.0000000 B S 0.1022000 1.0000000 B P 11.3413000 0.0179870 2.4360000 0.1103390 0.6836000 0.3831110 0.2134000 0.6478600 B P 0.0701000 1.0000000 B D 0.7000000 1.0000000 end basis "C_DZP (Dunning)" CARTESIAN C S 4232.6100000 0.0020290 634.8820000 0.0155350 146.0970000 0.0754110 42.4974000 0.2571210 14.1892000 0.5965550 1.9666000 0.2425170 C S 5.1477000 1.0000000 C S 0.4962000 1.0000000 C S 0.1533000 1.0000000 C P 18.1557000 0.0185340 3.9864000 0.1154420 1.1429000 0.3862060 0.3594000 0.6400890 C P 0.1146000 1.0000000 C D 0.7500000 1.0000000 end basis "N_DZP (Dunning)" CARTESIAN N S 5909.4400000 0.0020040 887.4510000 0.0153100 204.7490000 0.0742930 59.8376000 0.2533640 19.9981000 0.6005760 2.6860000 0.2451110 N S 7.1927000 1.0000000 N S 0.7000000 1.0000000 N S 0.2133000 1.0000000 N P 26.7860000 0.0182570 5.9564000 0.1164070 1.7074000 0.3901110 0.5314000 0.6372210 N P 0.1654000 1.0000000 N D 0.8000000 1.0000000 end basis "O_DZP (Dunning)" CARTESIAN O S 7816.5400000 0.0020310 1175.8200000 0.0154360 273.1880000 0.0737710 81.1696000 0.2476060 27.1836000 0.6118320 3.4136000 0.2412050 O S 9.5322000 1.0000000 O S 0.9398000 1.0000000 O S 0.2846000 1.0000000 O P 35.1832000 0.0195800 7.9040000 0.1241890 2.3051000 0.3947270 0.7171000 0.6273750 O P 0.2137000 1.0000000 O D 0.8500000 1.0000000 end basis "F_DZP (Dunning)" CARTESIAN F S 9994.7900000 0.0020170 1506.0300000 0.0152950 350.2690000 0.0731100 104.0530000 0.2464200 34.8432000 0.6125930 4.3688000 0.2424890 F S 12.2164000 1.0000000 F S 1.2078000 1.0000000 F S 0.3634000 1.0000000 F P 44.3555000 0.0208680 10.0820000 0.1300920 2.9959000 0.3962190 0.9383000 0.6203680 F P 0.2733000 1.0000000 F D 0.9000000 1.0000000 end basis "Ne_DZP (Dunning)" CARTESIAN Ne S 12100.0000000 0.0012000 1821.0000000 0.0090920 432.8000000 0.0413050 132.5000000 0.1378670 43.7700000 0.3624330 14.9100000 0.4722470 5.1270000 0.1300350 Ne S 14.9100000 1.0000000 Ne S 1.4910000 1.0000000 Ne S 0.4468000 1.0000000 Ne P 56.4500000 0.0208750 12.9200000 0.1300320 3.8650000 0.3956790 1.2030000 0.6214500 Ne P 0.3444000 1.0000000 Ne D 0.9500000 1.0000000 end basis "Al_DZP (Dunning)" CARTESIAN Al S 23490.0000000 0.0025090 3548.0000000 0.0189860 823.5000000 0.0929140 237.7000000 0.3359350 78.6000000 0.6473910 Al S 78.6000000 0.1119370 29.0500000 0.6559760 11.6200000 0.2833490 Al S 3.4650000 1.0000000 Al S 1.2330000 1.0000000 Al S 0.2018000 1.0000000 Al S 0.0780500 1.0000000 Al P 141.5000000 0.0178820 33.2200000 0.1203750 10.3900000 0.4115800 3.5930000 0.5953530 Al P 3.5930000 0.2117580 1.2420000 0.8377950 Al P 0.3040000 1.0000000 Al P 0.0762900 1.0000000 Al D 0.3250000 1.0000000 end basis "Si_DZP (Dunning)" CARTESIAN Si S 26740.0000000 0.0025830 4076.0000000 0.0192370 953.3000000 0.0938430 274.6000000 0.3412350 90.6800000 0.6416750 Si S 90.6800000 0.1214390 33.5300000 0.6531430 13.4600000 0.2776240 Si S 4.0510000 1.0000000 Si S 1.4840000 1.0000000 Si S 0.2704000 1.0000000 Si S 0.0993200 1.0000000 Si P 163.7000000 0.0114980 38.3500000 0.0777260 12.0200000 0.2635950 4.1850000 0.7582690 Si P 4.1850000 -1.1730450 1.4830000 1.4383350 Si P 0.3350000 1.0000000 Si P 0.0969900 1.0000000 Si D 0.5500000 1.0000000 end basis "P_DZP (Dunning)" CARTESIAN P S 30630.0000000 0.0026190 4684.0000000 0.0194790 1094.0000000 0.0952070 315.3000000 0.3457420 104.1000000 0.6362880 P S 104.1000000 0.1307060 38.4200000 0.6502740 15.4500000 0.2723080 P S 4.6560000 1.0000000 P S 1.7590000 1.0000000 P S 0.3409000 1.0000000 P S 0.1238000 1.0000000 P P 187.7000000 0.0131580 43.6300000 0.0904940 13.6000000 0.3050540 4.7660000 0.7135790 P P 4.7660000 -0.7925730 1.7430000 1.4299870 P P 0.4192000 1.0000000 P P 0.1245000 1.0000000 P D 0.6000000 1.0000000 end basis "S_DZP (Dunning)" CARTESIAN S S 35710.0000000 0.0025650 5397.0000000 0.0194050 1250.0000000 0.0955950 359.9000000 0.3457930 119.2000000 0.6357940 S S 119.2000000 0.1300960 43.9800000 0.6513010 17.6300000 0.2719550 S S 5.4200000 1.0000000 S S 2.0740000 1.0000000 S S 0.4246000 1.0000000 S S 0.1519000 1.0000000 S P 212.9000000 0.0140910 49.6000000 0.0966850 15.5200000 0.3238740 5.4760000 0.6917560 S P 5.4760000 -0.6267370 2.0440000 1.3770510 S P 0.5218000 1.0000000 S P 0.1506000 1.0000000 S D 0.7000000 1.0000000 end basis "Cl_DZP (Dunning)" CARTESIAN Cl S 40850.0000000 0.0025320 6179.0000000 0.0192070 1425.0000000 0.0952570 409.2000000 0.3455890 135.5000000 0.6364010 Cl S 135.5000000 0.1209560 50.1300000 0.6485110 20.2100000 0.2754870 Cl S 6.2830000 1.0000000 Cl S 2.4600000 1.0000000 Cl S 0.5271000 1.0000000 Cl S 0.1884000 1.0000000 Cl P 240.8000000 0.0145950 56.5600000 0.0990470 17.8500000 0.3305620 6.3500000 0.6828740 Cl P 6.3500000 -0.5617850 2.4030000 1.3519010 Cl P 0.6410000 1.0000000 Cl P 0.1838000 1.0000000 Cl D 0.7500000 1.0000000 end