1# DZP (Dunning) EMSL Basis Set Exchange Library 3/15/13 10:18 AM 2# T.H. DUNNING, JR., J. CHEM. PHYS. 53, 2823 (1970). 3# T.H. DUNNING, JR. AND P.J. HAY, IN METHODS OF ELECTRONIC STRUCTURE THEORY, 4# VOL. 2, H.F. SCHAEFER III, ED., PLENUM PRESS (1977). 5# 6 7# H - F: T.H. DUNNING JR. AND P.J. HAY, IN METHODS OF ELECTRONIC STRUCTURE 8# THEORY VOL. 2, H.F. SCHAEFER III, ED., PLENUM PRESS (1977). 9# Si - Cl: E. MAGNUSSON AND H.F. SCHAEFER III, JCP 83, 5721 (1985). 10# 11 12 13basis "H_DZP (Dunning)" CARTESIAN 14H S 15 19.2406000 0.0328280 16 2.8992000 0.2312080 17 0.6534000 0.8172380 18H S 19 0.1776000 1.0000000 20H P 21 1.0000000 1.0000000 22end 23basis "Li_DZP (Dunning)" CARTESIAN 24Li S 25 921.3000000 0.0013670 26 138.7000000 0.0104250 27 31.9400000 0.0498590 28 9.3530000 0.1607010 29 3.1580000 0.3446040 30 1.1570000 0.4251970 31Li S 32 0.4446000 1.0000000 33Li S 34 0.0766600 1.0000000 35Li S 36 0.0286400 1.0000000 37Li P 38 1.4880000 0.0387700 39 0.2667000 0.2362570 40 0.0720100 0.8304480 41Li P 42 0.0237000 1.0000000 43Li D 44 0.2000000 1.0000000 45end 46basis "B_DZP (Dunning)" CARTESIAN 47B S 48 2788.4100000 0.0021220 49 419.0390000 0.0161710 50 96.4683000 0.0783560 51 28.0694000 0.2632500 52 9.3760000 0.5967290 53 1.3057000 0.2303970 54B S 55 3.4062000 1.0000000 56B S 57 0.3245000 1.0000000 58B S 59 0.1022000 1.0000000 60B P 61 11.3413000 0.0179870 62 2.4360000 0.1103390 63 0.6836000 0.3831110 64 0.2134000 0.6478600 65B P 66 0.0701000 1.0000000 67B D 68 0.7000000 1.0000000 69end 70basis "C_DZP (Dunning)" CARTESIAN 71C S 72 4232.6100000 0.0020290 73 634.8820000 0.0155350 74 146.0970000 0.0754110 75 42.4974000 0.2571210 76 14.1892000 0.5965550 77 1.9666000 0.2425170 78C S 79 5.1477000 1.0000000 80C S 81 0.4962000 1.0000000 82C S 83 0.1533000 1.0000000 84C P 85 18.1557000 0.0185340 86 3.9864000 0.1154420 87 1.1429000 0.3862060 88 0.3594000 0.6400890 89C P 90 0.1146000 1.0000000 91C D 92 0.7500000 1.0000000 93end 94basis "N_DZP (Dunning)" CARTESIAN 95N S 96 5909.4400000 0.0020040 97 887.4510000 0.0153100 98 204.7490000 0.0742930 99 59.8376000 0.2533640 100 19.9981000 0.6005760 101 2.6860000 0.2451110 102N S 103 7.1927000 1.0000000 104N S 105 0.7000000 1.0000000 106N S 107 0.2133000 1.0000000 108N P 109 26.7860000 0.0182570 110 5.9564000 0.1164070 111 1.7074000 0.3901110 112 0.5314000 0.6372210 113N P 114 0.1654000 1.0000000 115N D 116 0.8000000 1.0000000 117end 118basis "O_DZP (Dunning)" CARTESIAN 119O S 120 7816.5400000 0.0020310 121 1175.8200000 0.0154360 122 273.1880000 0.0737710 123 81.1696000 0.2476060 124 27.1836000 0.6118320 125 3.4136000 0.2412050 126O S 127 9.5322000 1.0000000 128O S 129 0.9398000 1.0000000 130O S 131 0.2846000 1.0000000 132O P 133 35.1832000 0.0195800 134 7.9040000 0.1241890 135 2.3051000 0.3947270 136 0.7171000 0.6273750 137O P 138 0.2137000 1.0000000 139O D 140 0.8500000 1.0000000 141end 142basis "F_DZP (Dunning)" CARTESIAN 143F S 144 9994.7900000 0.0020170 145 1506.0300000 0.0152950 146 350.2690000 0.0731100 147 104.0530000 0.2464200 148 34.8432000 0.6125930 149 4.3688000 0.2424890 150F S 151 12.2164000 1.0000000 152F S 153 1.2078000 1.0000000 154F S 155 0.3634000 1.0000000 156F P 157 44.3555000 0.0208680 158 10.0820000 0.1300920 159 2.9959000 0.3962190 160 0.9383000 0.6203680 161F P 162 0.2733000 1.0000000 163F D 164 0.9000000 1.0000000 165end 166basis "Ne_DZP (Dunning)" CARTESIAN 167Ne S 168 12100.0000000 0.0012000 169 1821.0000000 0.0090920 170 432.8000000 0.0413050 171 132.5000000 0.1378670 172 43.7700000 0.3624330 173 14.9100000 0.4722470 174 5.1270000 0.1300350 175Ne S 176 14.9100000 1.0000000 177Ne S 178 1.4910000 1.0000000 179Ne S 180 0.4468000 1.0000000 181Ne P 182 56.4500000 0.0208750 183 12.9200000 0.1300320 184 3.8650000 0.3956790 185 1.2030000 0.6214500 186Ne P 187 0.3444000 1.0000000 188Ne D 189 0.9500000 1.0000000 190end 191basis "Al_DZP (Dunning)" CARTESIAN 192Al S 193 23490.0000000 0.0025090 194 3548.0000000 0.0189860 195 823.5000000 0.0929140 196 237.7000000 0.3359350 197 78.6000000 0.6473910 198Al S 199 78.6000000 0.1119370 200 29.0500000 0.6559760 201 11.6200000 0.2833490 202Al S 203 3.4650000 1.0000000 204Al S 205 1.2330000 1.0000000 206Al S 207 0.2018000 1.0000000 208Al S 209 0.0780500 1.0000000 210Al P 211 141.5000000 0.0178820 212 33.2200000 0.1203750 213 10.3900000 0.4115800 214 3.5930000 0.5953530 215Al P 216 3.5930000 0.2117580 217 1.2420000 0.8377950 218Al P 219 0.3040000 1.0000000 220Al P 221 0.0762900 1.0000000 222Al D 223 0.3250000 1.0000000 224end 225basis "Si_DZP (Dunning)" CARTESIAN 226Si S 227 26740.0000000 0.0025830 228 4076.0000000 0.0192370 229 953.3000000 0.0938430 230 274.6000000 0.3412350 231 90.6800000 0.6416750 232Si S 233 90.6800000 0.1214390 234 33.5300000 0.6531430 235 13.4600000 0.2776240 236Si S 237 4.0510000 1.0000000 238Si S 239 1.4840000 1.0000000 240Si S 241 0.2704000 1.0000000 242Si S 243 0.0993200 1.0000000 244Si P 245 163.7000000 0.0114980 246 38.3500000 0.0777260 247 12.0200000 0.2635950 248 4.1850000 0.7582690 249Si P 250 4.1850000 -1.1730450 251 1.4830000 1.4383350 252Si P 253 0.3350000 1.0000000 254Si P 255 0.0969900 1.0000000 256Si D 257 0.5500000 1.0000000 258end 259basis "P_DZP (Dunning)" CARTESIAN 260P S 261 30630.0000000 0.0026190 262 4684.0000000 0.0194790 263 1094.0000000 0.0952070 264 315.3000000 0.3457420 265 104.1000000 0.6362880 266P S 267 104.1000000 0.1307060 268 38.4200000 0.6502740 269 15.4500000 0.2723080 270P S 271 4.6560000 1.0000000 272P S 273 1.7590000 1.0000000 274P S 275 0.3409000 1.0000000 276P S 277 0.1238000 1.0000000 278P P 279 187.7000000 0.0131580 280 43.6300000 0.0904940 281 13.6000000 0.3050540 282 4.7660000 0.7135790 283P P 284 4.7660000 -0.7925730 285 1.7430000 1.4299870 286P P 287 0.4192000 1.0000000 288P P 289 0.1245000 1.0000000 290P D 291 0.6000000 1.0000000 292end 293basis "S_DZP (Dunning)" CARTESIAN 294S S 295 35710.0000000 0.0025650 296 5397.0000000 0.0194050 297 1250.0000000 0.0955950 298 359.9000000 0.3457930 299 119.2000000 0.6357940 300S S 301 119.2000000 0.1300960 302 43.9800000 0.6513010 303 17.6300000 0.2719550 304S S 305 5.4200000 1.0000000 306S S 307 2.0740000 1.0000000 308S S 309 0.4246000 1.0000000 310S S 311 0.1519000 1.0000000 312S P 313 212.9000000 0.0140910 314 49.6000000 0.0966850 315 15.5200000 0.3238740 316 5.4760000 0.6917560 317S P 318 5.4760000 -0.6267370 319 2.0440000 1.3770510 320S P 321 0.5218000 1.0000000 322S P 323 0.1506000 1.0000000 324S D 325 0.7000000 1.0000000 326end 327basis "Cl_DZP (Dunning)" CARTESIAN 328Cl S 329 40850.0000000 0.0025320 330 6179.0000000 0.0192070 331 1425.0000000 0.0952570 332 409.2000000 0.3455890 333 135.5000000 0.6364010 334Cl S 335 135.5000000 0.1209560 336 50.1300000 0.6485110 337 20.2100000 0.2754870 338Cl S 339 6.2830000 1.0000000 340Cl S 341 2.4600000 1.0000000 342Cl S 343 0.5271000 1.0000000 344Cl S 345 0.1884000 1.0000000 346Cl P 347 240.8000000 0.0145950 348 56.5600000 0.0990470 349 17.8500000 0.3305620 350 6.3500000 0.6828740 351Cl P 352 6.3500000 -0.5617850 353 2.4030000 1.3519010 354Cl P 355 0.6410000 1.0000000 356Cl P 357 0.1838000 1.0000000 358Cl D 359 0.7500000 1.0000000 360end 361