1$ 6-31++G** EMSL Basis Set Exchange Library 6/18/08 4:40 PM 2$ 3$ Elements supported 4$ H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar 5$ 6$ Elements References 7$ -------- ---------- 8$ H - He: W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys. 56, 9$ Li - Ne: 2257 (1972). Note: Li and B come from J.D. Dill and J.A. 10$ Pople, J. Chem. Phys. 62, 2921 (1975). 11$ Na - Ar: M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon, 12$ D.J. DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982) 13$ K - Zn: V. Rassolov, J.A. Pople, M. Ratner and T.L. Windus, J. Chem. Phys. 14$ 109, 1223 (1998) 15$ Note: He and Ne are unpublished basis sets taken from the Gaussian 16$ program 17$ 18$ Elements Reference 19$ -------- ---------- 20$ H, Li-Cl: T. Clark, J. Chandrasekhar, G.W. Spitznagel, P.V.R. Schleyer, 21$ J. Comp. Chem. 4, 294 (1983). 22$ 23$ Elements References 24$ -------- ---------- 25$ H,Li - Ne: P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973) 26$ Na - Ar : M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J 27$ DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982). 28$ K - Zn: V.A. Rassolov, J.A. Pople, M.A. Ratner, and T.L. Windus 29$ J. Chem. Phys. 109, 1223 (1998) 30$ Note: He and Ne are unpublished basis sets taken from Gaussian. 31$ 32$**************************************************** 33a 1 34$ HYDROGEN (5s,1p) -> [3s,1p] 35$ HYDROGEN (1s) 36$ HYDROGEN (1p) 37$ S-TYPE FUNCTIONS 38 5 3 0 39 18.73113700 0.03349460 0.00000000 0.00000000 40 2.82539370 0.23472695 0.00000000 0.00000000 41 0.64012170 0.81375733 0.00000000 0.00000000 42 0.16127780 0.00000000 1.00000000 0.00000000 43 0.03600000 0.00000000 0.00000000 1.00000000 44$ P-TYPE FUNCTIONS 45 1 1 0 46 1.10000000 1.00000000 47a 2 48$ HELIUM (4s) -> [2s] 49$ HELIUM (1s) 50$ HELIUM (1p) 51$ S-TYPE FUNCTIONS 52 5 3 0 53 38.4216340 0.04013974 0.00000000 0.00000000 54 5.7780300 0.26124610 0.00000000 0.00000000 55 1.2417740 0.79318462 0.00000000 0.00000000 56 0.2979640 0.00000000 1.00000000 0.00000000 57 0.0860000 0.00000000 0.00000000 1.00000000 58$ P-TYPE FUNCTIONS 59 1 1 0 60 1.1000000 1.00000000 61a 3 62$ LITHIUM (11s,5p,1d) -> [4s,3p,1d] 63$ LITHIUM (1s,1p) 64$ LITHIUM (1d) 65$ S-TYPE FUNCTIONS 66 11 4 0 67 642.41892000 0.00214260 0.00000000 0.00000000 0.00000000 68 96.79851500 0.01620890 0.00000000 0.00000000 0.00000000 69 22.09112100 0.07731560 0.00000000 0.00000000 0.00000000 70 6.20107030 0.24578600 0.00000000 0.00000000 0.00000000 71 1.93511770 0.47018900 0.00000000 0.00000000 0.00000000 72 0.63673580 0.34547080 0.00000000 0.00000000 0.00000000 73 2.32491840 0.00000000 -0.03509170 0.00000000 0.00000000 74 0.63243060 0.00000000 -0.19123280 0.00000000 0.00000000 75 0.07905340 0.00000000 1.08398780 0.00000000 0.00000000 76 0.03596200 0.00000000 0.00000000 1.00000000 0.00000000 77 0.00740000 0.00000000 0.00000000 0.00000000 1.00000000 78$ P-TYPE FUNCTIONS 79 5 3 0 80 2.32491840 0.00894150 0.00000000 0.00000000 81 0.63243060 0.14100950 0.00000000 0.00000000 82 0.07905340 0.94536370 0.00000000 0.00000000 83 0.03596200 0.00000000 1.00000000 0.00000000 84 0.00740000 0.00000000 0.00000000 1.00000000 85$ D-TYPE FUNCTIONS 86 1 1 0 87 0.20000000 1.00000000 88a 4 89$ BERYLLIUM (11s,5p,1d) -> [4s,3p,1d] 90$ BERYLLIUM (1s,1p) 91$ BERYLLIUM (1d) 92$ S-TYPE FUNCTIONS 93 11 4 0 94 1264.58570000 0.00194480 0.00000000 0.00000000 0.00000000 95 189.93681000 0.01483510 0.00000000 0.00000000 0.00000000 96 43.15908900 0.07209060 0.00000000 0.00000000 0.00000000 97 12.09866300 0.23715420 0.00000000 0.00000000 0.00000000 98 3.80632320 0.46919870 0.00000000 0.00000000 0.00000000 99 1.27289030 0.35652020 0.00000000 0.00000000 0.00000000 100 3.19646310 0.00000000 -0.11264870 0.00000000 0.00000000 101 0.74781330 0.00000000 -0.22950640 0.00000000 0.00000000 102 0.21996630 0.00000000 1.18691670 0.00000000 0.00000000 103 0.08230990 0.00000000 0.00000000 1.00000000 0.00000000 104 0.02070000 0.00000000 0.00000000 0.00000000 1.00000000 105$ P-TYPE FUNCTIONS 106 5 3 0 107 3.19646310 0.05598020 0.00000000 0.00000000 108 0.74781330 0.26155060 0.00000000 0.00000000 109 0.21996630 0.79397230 0.00000000 0.00000000 110 0.08230990 0.00000000 1.00000000 0.00000000 111 0.02070000 0.00000000 0.00000000 1.00000000 112$ D-TYPE FUNCTIONS 113 1 1 0 114 0.40000000 1.00000000 115a 5 116$ BORON (11s,5p,1d) -> [4s,3p,1d] 117$ BORON (1s,1p) 118$ BORON (1d) 119$ S-TYPE FUNCTIONS 120 11 4 0 121 2068.88230000 0.00186630 0.00000000 0.00000000 0.00000000 122 310.64957000 0.01425150 0.00000000 0.00000000 0.00000000 123 70.68303300 0.06955160 0.00000000 0.00000000 0.00000000 124 19.86108000 0.23257290 0.00000000 0.00000000 0.00000000 125 6.29930480 0.46707870 0.00000000 0.00000000 0.00000000 126 2.12702700 0.36343140 0.00000000 0.00000000 0.00000000 127 4.72797100 0.00000000 -0.13039380 0.00000000 0.00000000 128 1.19033770 0.00000000 -0.13078890 0.00000000 0.00000000 129 0.35941170 0.00000000 1.13094440 0.00000000 0.00000000 130 0.12675120 0.00000000 0.00000000 1.00000000 0.00000000 131 0.03150000 0.00000000 0.00000000 0.00000000 1.00000000 132$ P-TYPE FUNCTIONS 133 5 3 0 134 4.72797100 0.07459760 0.00000000 0.00000000 135 1.19033770 0.30784670 0.00000000 0.00000000 136 0.35941170 0.74345680 0.00000000 0.00000000 137 0.12675120 0.00000000 1.00000000 0.00000000 138 0.03150000 0.00000000 0.00000000 1.00000000 139$ D-TYPE FUNCTIONS 140 1 1 0 141 0.60000000 1.00000000 142a 6 143$ CARBON (11s,5p,1d) -> [4s,3p,1d] 144$ CARBON (1s,1p) 145$ CARBON (1d) 146$ S-TYPE FUNCTIONS 147 11 4 0 148 3047.52490000 0.00183470 0.00000000 0.00000000 0.00000000 149 457.36951000 0.01403730 0.00000000 0.00000000 0.00000000 150 103.94869000 0.06884260 0.00000000 0.00000000 0.00000000 151 29.21015500 0.23218440 0.00000000 0.00000000 0.00000000 152 9.28666300 0.46794130 0.00000000 0.00000000 0.00000000 153 3.16392700 0.36231200 0.00000000 0.00000000 0.00000000 154 7.86827240 0.00000000 -0.11933240 0.00000000 0.00000000 155 1.88128850 0.00000000 -0.16085420 0.00000000 0.00000000 156 0.54424930 0.00000000 1.14345640 0.00000000 0.00000000 157 0.16871440 0.00000000 0.00000000 1.00000000 0.00000000 158 0.04380000 0.00000000 0.00000000 0.00000000 1.00000000 159$ P-TYPE FUNCTIONS 160 5 3 0 161 7.86827240 0.06899910 0.00000000 0.00000000 162 1.88128850 0.31642400 0.00000000 0.00000000 163 0.54424930 0.74430830 0.00000000 0.00000000 164 0.16871440 0.00000000 1.00000000 0.00000000 165 0.04380000 0.00000000 0.00000000 1.00000000 166$ D-TYPE FUNCTIONS 167 1 1 0 168 0.80000000 1.00000000 169a 7 170$ NITROGEN (11s,5p,1d) -> [4s,3p,1d] 171$ NITROGEN (1s,1p) 172$ NITROGEN (1d) 173$ S-TYPE FUNCTIONS 174 11 4 0 175 4173.51100000 0.00183480 0.00000000 0.00000000 0.00000000 176 627.45790000 0.01399500 0.00000000 0.00000000 0.00000000 177 142.90210000 0.06858700 0.00000000 0.00000000 0.00000000 178 40.23433000 0.23224100 0.00000000 0.00000000 0.00000000 179 12.82021000 0.46907000 0.00000000 0.00000000 0.00000000 180 4.39043700 0.36045500 0.00000000 0.00000000 0.00000000 181 11.62635800 0.00000000 -0.11496100 0.00000000 0.00000000 182 2.71628000 0.00000000 -0.16911800 0.00000000 0.00000000 183 0.77221800 0.00000000 1.14585200 0.00000000 0.00000000 184 0.21203130 0.00000000 0.00000000 1.00000000 0.00000000 185 0.06390000 0.00000000 0.00000000 0.00000000 1.00000000 186$ P-TYPE FUNCTIONS 187 5 3 0 188 11.62635800 0.06758000 0.00000000 0.00000000 189 2.71628000 0.32390700 0.00000000 0.00000000 190 0.77221800 0.74089500 0.00000000 0.00000000 191 0.21203130 0.00000000 1.00000000 0.00000000 192 0.06390000 0.00000000 0.00000000 1.00000000 193$ D-TYPE FUNCTIONS 194 1 1 0 195 0.80000000 1.00000000 196a 8 197$ OXYGEN (11s,5p,1d) -> [4s,3p,1d] 198$ OXYGEN (1s,1p) 199$ OXYGEN (1d) 200$ S-TYPE FUNCTIONS 201 11 4 0 202 5484.67170000 0.00183110 0.00000000 0.00000000 0.00000000 203 825.23495000 0.01395010 0.00000000 0.00000000 0.00000000 204 188.04696000 0.06844510 0.00000000 0.00000000 0.00000000 205 52.96450000 0.23271430 0.00000000 0.00000000 0.00000000 206 16.89757000 0.47019300 0.00000000 0.00000000 0.00000000 207 5.79963530 0.35852090 0.00000000 0.00000000 0.00000000 208 15.53961600 0.00000000 -0.11077750 0.00000000 0.00000000 209 3.59993360 0.00000000 -0.14802630 0.00000000 0.00000000 210 1.01376180 0.00000000 1.13076700 0.00000000 0.00000000 211 0.27000580 0.00000000 0.00000000 1.00000000 0.00000000 212 0.08450000 0.00000000 0.00000000 0.00000000 1.00000000 213$ P-TYPE FUNCTIONS 214 5 3 0 215 15.53961600 0.07087430 0.00000000 0.00000000 216 3.59993360 0.33975280 0.00000000 0.00000000 217 1.01376180 0.72715860 0.00000000 0.00000000 218 0.27000580 0.00000000 1.00000000 0.00000000 219 0.08450000 0.00000000 0.00000000 1.00000000 220$ D-TYPE FUNCTIONS 221 1 1 0 222 0.80000000 1.00000000 223a 9 224$ FLUORINE (11s,5p,1d) -> [4s,3p,1d] 225$ FLUORINE (1s,1p) 226$ FLUORINE (1d) 227$ S-TYPE FUNCTIONS 228 11 4 0 229 7001.71309000 0.00181962 0.00000000 0.00000000 0.00000000 230 1051.36609000 0.01391608 0.00000000 0.00000000 0.00000000 231 239.28569000 0.06840532 0.00000000 0.00000000 0.00000000 232 67.39744530 0.23318576 0.00000000 0.00000000 0.00000000 233 21.51995730 0.47126744 0.00000000 0.00000000 0.00000000 234 7.40310130 0.35661855 0.00000000 0.00000000 0.00000000 235 20.84795280 0.00000000 -0.10850698 0.00000000 0.00000000 236 4.80830834 0.00000000 -0.14645166 0.00000000 0.00000000 237 1.34406986 0.00000000 1.12868858 0.00000000 0.00000000 238 0.35815139 0.00000000 0.00000000 1.00000000 0.00000000 239 0.10760000 0.00000000 0.00000000 0.00000000 1.00000000 240$ P-TYPE FUNCTIONS 241 5 3 0 242 20.84795280 0.07162872 0.00000000 0.00000000 243 4.80830834 0.34591210 0.00000000 0.00000000 244 1.34406986 0.72246996 0.00000000 0.00000000 245 0.35815139 0.00000000 1.00000000 0.00000000 246 0.10760000 0.00000000 0.00000000 1.00000000 247$ D-TYPE FUNCTIONS 248 1 1 0 249 0.80000000 1.00000000 250a 10 251$ NEON (11s,5p,1d) -> [4s,3p,1d] 252$ NEON (1s,1p) 253$ NEON (1d) 254$ S-TYPE FUNCTIONS 255 11 4 0 256 8425.85153000 0.00188435 0.00000000 0.00000000 0.00000000 257 1268.51940000 0.01433690 0.00000000 0.00000000 0.00000000 258 289.62141400 0.07010962 0.00000000 0.00000000 0.00000000 259 81.85900400 0.23737327 0.00000000 0.00000000 0.00000000 260 26.25150790 0.47300713 0.00000000 0.00000000 0.00000000 261 9.09472051 0.34840124 0.00000000 0.00000000 0.00000000 262 26.53213100 0.00000000 -0.10711829 0.00000000 0.00000000 263 6.10175501 0.00000000 -0.14616382 0.00000000 0.00000000 264 1.69627153 0.00000000 1.12777350 0.00000000 0.00000000 265 0.44581870 0.00000000 0.00000000 1.00000000 0.00000000 266 0.13000000 0.00000000 0.00000000 0.00000000 1.00000000 267$ P-TYPE FUNCTIONS 268 5 3 0 269 26.53213100 0.07190959 0.00000000 0.00000000 270 6.10175501 0.34951337 0.00000000 0.00000000 271 1.69627153 0.71994051 0.00000000 0.00000000 272 0.44581870 0.00000000 1.00000000 0.00000000 273 0.13000000 0.00000000 0.00000000 1.00000000 274$ D-TYPE FUNCTIONS 275 1 1 0 276 0.80000000 1.00000000 277a 11 278$ SODIUM (17s,11p,1d) -> [5s,4p,1d] 279$ SODIUM (1s,1p) 280$ SODIUM (1d) 281$ S-TYPE FUNCTIONS 282 17 5 0 283 9993.20000000 0.00193770 0.00000000 0.00000000 0.00000000 0.00000000 284 1499.89000000 0.01480700 0.00000000 0.00000000 0.00000000 0.00000000 285 341.95100000 0.07270600 0.00000000 0.00000000 0.00000000 0.00000000 286 94.67970000 0.25262900 0.00000000 0.00000000 0.00000000 0.00000000 287 29.73450000 0.49324200 0.00000000 0.00000000 0.00000000 0.00000000 288 10.00630000 0.31316900 0.00000000 0.00000000 0.00000000 0.00000000 289 150.96300000 0.00000000 -0.00354210 0.00000000 0.00000000 0.00000000 290 35.58780000 0.00000000 -0.04395900 0.00000000 0.00000000 0.00000000 291 11.16830000 0.00000000 -0.10975210 0.00000000 0.00000000 0.00000000 292 3.90201000 0.00000000 0.18739800 0.00000000 0.00000000 0.00000000 293 1.38177000 0.00000000 0.64669900 0.00000000 0.00000000 0.00000000 294 0.46638200 0.00000000 0.30605800 0.00000000 0.00000000 0.00000000 295 0.49796600 0.00000000 0.00000000 -0.24850300 0.00000000 0.00000000 296 0.08435300 0.00000000 0.00000000 -0.13170400 0.00000000 0.00000000 297 0.06663500 0.00000000 0.00000000 1.23352000 0.00000000 0.00000000 298 0.02595440 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 299 0.00760000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 300$ P-TYPE FUNCTIONS 301 11 4 0 302 150.96300000 0.00500170 0.00000000 0.00000000 0.00000000 303 35.58780000 0.03551100 0.00000000 0.00000000 0.00000000 304 11.16830000 0.14282500 0.00000000 0.00000000 0.00000000 305 3.90201000 0.33862000 0.00000000 0.00000000 0.00000000 306 1.38177000 0.45157900 0.00000000 0.00000000 0.00000000 307 0.46638200 0.27327100 0.00000000 0.00000000 0.00000000 308 0.49796600 0.00000000 -0.02302300 0.00000000 0.00000000 309 0.08435300 0.00000000 0.95035900 0.00000000 0.00000000 310 0.06663500 0.00000000 0.05985800 0.00000000 0.00000000 311 0.02595440 0.00000000 0.00000000 1.00000000 0.00000000 312 0.00760000 0.00000000 0.00000000 0.00000000 1.00000000 313$ D-TYPE FUNCTIONS 314 1 1 0 315 0.17500000 1.00000000 316a 12 317$ MAGNESIUM (17s,11p,1d) -> [5s,4p,1d] 318$ MAGNESIUM (1s,1p) 319$ MAGNESIUM (1d) 320$ S-TYPE FUNCTIONS 321 17 5 0 322 11722.80000000 0.00197780 0.00000000 0.00000000 0.00000000 0.00000000 323 1759.93000000 0.01511400 0.00000000 0.00000000 0.00000000 0.00000000 324 400.84600000 0.07391100 0.00000000 0.00000000 0.00000000 0.00000000 325 112.80700000 0.24919100 0.00000000 0.00000000 0.00000000 0.00000000 326 35.99970000 0.48792800 0.00000000 0.00000000 0.00000000 0.00000000 327 12.18280000 0.31966200 0.00000000 0.00000000 0.00000000 0.00000000 328 189.18000000 0.00000000 -0.00323720 0.00000000 0.00000000 0.00000000 329 45.21190000 0.00000000 -0.04100800 0.00000000 0.00000000 0.00000000 330 14.35630000 0.00000000 -0.11260000 0.00000000 0.00000000 0.00000000 331 5.13886000 0.00000000 0.14863300 0.00000000 0.00000000 0.00000000 332 1.90652000 0.00000000 0.61649700 0.00000000 0.00000000 0.00000000 333 0.70588700 0.00000000 0.36482900 0.00000000 0.00000000 0.00000000 334 0.92934000 0.00000000 0.00000000 -0.21229000 0.00000000 0.00000000 335 0.26903500 0.00000000 0.00000000 -0.10798500 0.00000000 0.00000000 336 0.11737900 0.00000000 0.00000000 1.17584000 0.00000000 0.00000000 337 0.04210610 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 338 0.01460000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 339$ P-TYPE FUNCTIONS 340 11 4 0 341 189.18000000 0.00492810 0.00000000 0.00000000 0.00000000 342 45.21190000 0.03498900 0.00000000 0.00000000 0.00000000 343 14.35630000 0.14072500 0.00000000 0.00000000 0.00000000 344 5.13886000 0.33364200 0.00000000 0.00000000 0.00000000 345 1.90652000 0.44494000 0.00000000 0.00000000 0.00000000 346 0.70588700 0.26925400 0.00000000 0.00000000 0.00000000 347 0.92934000 0.00000000 -0.02241900 0.00000000 0.00000000 348 0.26903500 0.00000000 0.19227000 0.00000000 0.00000000 349 0.11737900 0.00000000 0.84618100 0.00000000 0.00000000 350 0.04210610 0.00000000 0.00000000 1.00000000 0.00000000 351 0.01460000 0.00000000 0.00000000 0.00000000 1.00000000 352$ D-TYPE FUNCTIONS 353 1 1 0 354 0.17500000 1.00000000 355a 13 356$ ALUMINUM (17s,11p,1d) -> [5s,4p,1d] 357$ ALUMINUM (1s,1p) 358$ ALUMINUM (1d) 359$ S-TYPE FUNCTIONS 360 17 5 0 361 13983.10000000 0.00194267 0.00000000 0.00000000 0.00000000 0.00000000 362 2098.75000000 0.01485990 0.00000000 0.00000000 0.00000000 0.00000000 363 477.70500000 0.07284940 0.00000000 0.00000000 0.00000000 0.00000000 364 134.36000000 0.24683000 0.00000000 0.00000000 0.00000000 0.00000000 365 42.87090000 0.48725800 0.00000000 0.00000000 0.00000000 0.00000000 366 14.51890000 0.32349600 0.00000000 0.00000000 0.00000000 0.00000000 367 239.66800000 0.00000000 -0.00292619 0.00000000 0.00000000 0.00000000 368 57.44190000 0.00000000 -0.03740800 0.00000000 0.00000000 0.00000000 369 18.28590000 0.00000000 -0.11448700 0.00000000 0.00000000 0.00000000 370 6.59914000 0.00000000 0.11563500 0.00000000 0.00000000 0.00000000 371 2.49049000 0.00000000 0.61259500 0.00000000 0.00000000 0.00000000 372 0.94454000 0.00000000 0.39379900 0.00000000 0.00000000 0.00000000 373 1.27790000 0.00000000 0.00000000 -0.22760600 0.00000000 0.00000000 374 0.39759000 0.00000000 0.00000000 0.00144583 0.00000000 0.00000000 375 0.16009500 0.00000000 0.00000000 1.09279000 0.00000000 0.00000000 376 0.05565770 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 377 0.03180000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 378$ P-TYPE FUNCTIONS 379 11 4 0 380 239.66800000 0.00460285 0.00000000 0.00000000 0.00000000 381 57.44190000 0.03319900 0.00000000 0.00000000 0.00000000 382 18.28590000 0.13628200 0.00000000 0.00000000 0.00000000 383 6.59914000 0.33047600 0.00000000 0.00000000 0.00000000 384 2.49049000 0.44914600 0.00000000 0.00000000 0.00000000 385 0.94454000 0.26570400 0.00000000 0.00000000 0.00000000 386 1.27790000 0.00000000 -0.01751300 0.00000000 0.00000000 387 0.39759000 0.00000000 0.24453300 0.00000000 0.00000000 388 0.16009500 0.00000000 0.80493400 0.00000000 0.00000000 389 0.05565770 0.00000000 0.00000000 1.00000000 0.00000000 390 0.03180000 0.00000000 0.00000000 0.00000000 1.00000000 391$ D-TYPE FUNCTIONS 392 1 1 0 393 0.32500000 1.00000000 394a 14 395$ SILICON (17s,11p,1d) -> [5s,4p,1d] 396$ SILICON (1s,1p) 397$ SILICON (1d) 398$ S-TYPE FUNCTIONS 399 17 5 0 400 16115.90000000 0.00195948 0.00000000 0.00000000 0.00000000 0.00000000 401 2425.58000000 0.01492880 0.00000000 0.00000000 0.00000000 0.00000000 402 553.86700000 0.07284780 0.00000000 0.00000000 0.00000000 0.00000000 403 156.34000000 0.24613000 0.00000000 0.00000000 0.00000000 0.00000000 404 50.06830000 0.48591400 0.00000000 0.00000000 0.00000000 0.00000000 405 17.01780000 0.32500200 0.00000000 0.00000000 0.00000000 0.00000000 406 292.71800000 0.00000000 -0.00278094 0.00000000 0.00000000 0.00000000 407 69.87310000 0.00000000 -0.03571460 0.00000000 0.00000000 0.00000000 408 22.33630000 0.00000000 -0.11498500 0.00000000 0.00000000 0.00000000 409 8.15039000 0.00000000 0.09356340 0.00000000 0.00000000 0.00000000 410 3.13458000 0.00000000 0.60301700 0.00000000 0.00000000 0.00000000 411 1.22543000 0.00000000 0.41895900 0.00000000 0.00000000 0.00000000 412 1.72738000 0.00000000 0.00000000 -0.24463000 0.00000000 0.00000000 413 0.57292200 0.00000000 0.00000000 0.00431572 0.00000000 0.00000000 414 0.22219200 0.00000000 0.00000000 1.09818000 0.00000000 0.00000000 415 0.07783690 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 416 0.03310000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 417$ P-TYPE FUNCTIONS 418 11 4 0 419 292.71800000 0.00443826 0.00000000 0.00000000 0.00000000 420 69.87310000 0.03266790 0.00000000 0.00000000 0.00000000 421 22.33630000 0.13472100 0.00000000 0.00000000 0.00000000 422 8.15039000 0.32867800 0.00000000 0.00000000 0.00000000 423 3.13458000 0.44964000 0.00000000 0.00000000 0.00000000 424 1.22543000 0.26137200 0.00000000 0.00000000 0.00000000 425 1.72738000 0.00000000 -0.01779510 0.00000000 0.00000000 426 0.57292200 0.00000000 0.25353900 0.00000000 0.00000000 427 0.22219200 0.00000000 0.80066900 0.00000000 0.00000000 428 0.07783690 0.00000000 0.00000000 1.00000000 0.00000000 429 0.03310000 0.00000000 0.00000000 0.00000000 1.00000000 430$ D-TYPE FUNCTIONS 431 1 1 0 432 0.45000000 1.00000000 433a 15 434$ PHOSPHOROUS (17s,11p,1d) -> [5s,4p,1d] 435$ PHOSPHOROUS (1s,1p) 436$ PHOSPHOROUS (1d) 437$ S-TYPE FUNCTIONS 438 17 5 0 439 19413.30000000 0.00185160 0.00000000 0.00000000 0.00000000 0.00000000 440 2909.42000000 0.01420620 0.00000000 0.00000000 0.00000000 0.00000000 441 661.36400000 0.06999950 0.00000000 0.00000000 0.00000000 0.00000000 442 185.75900000 0.24007900 0.00000000 0.00000000 0.00000000 0.00000000 443 59.19430000 0.48476200 0.00000000 0.00000000 0.00000000 0.00000000 444 20.03100000 0.33520000 0.00000000 0.00000000 0.00000000 0.00000000 445 339.47800000 0.00000000 -0.00278217 0.00000000 0.00000000 0.00000000 446 81.01010000 0.00000000 -0.03604990 0.00000000 0.00000000 0.00000000 447 25.87800000 0.00000000 -0.11663100 0.00000000 0.00000000 0.00000000 448 9.45221000 0.00000000 0.09683280 0.00000000 0.00000000 0.00000000 449 3.66566000 0.00000000 0.61441800 0.00000000 0.00000000 0.00000000 450 1.46746000 0.00000000 0.40379800 0.00000000 0.00000000 0.00000000 451 2.15623000 0.00000000 0.00000000 -0.25292300 0.00000000 0.00000000 452 0.74899700 0.00000000 0.00000000 0.03285170 0.00000000 0.00000000 453 0.28314500 0.00000000 0.00000000 1.08125000 0.00000000 0.00000000 454 0.09983170 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 455 0.03480000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 456$ P-TYPE FUNCTIONS 457 11 4 0 458 339.47800000 0.00456462 0.00000000 0.00000000 0.00000000 459 81.01010000 0.03369360 0.00000000 0.00000000 0.00000000 460 25.87800000 0.13975500 0.00000000 0.00000000 0.00000000 461 9.45221000 0.33936200 0.00000000 0.00000000 0.00000000 462 3.66566000 0.45092100 0.00000000 0.00000000 0.00000000 463 1.46746000 0.23858600 0.00000000 0.00000000 0.00000000 464 2.15623000 0.00000000 -0.01776530 0.00000000 0.00000000 465 0.74899700 0.00000000 0.27405800 0.00000000 0.00000000 466 0.28314500 0.00000000 0.78542100 0.00000000 0.00000000 467 0.09983170 0.00000000 0.00000000 1.00000000 0.00000000 468 0.03480000 0.00000000 0.00000000 0.00000000 1.00000000 469$ D-TYPE FUNCTIONS 470 1 1 0 471 0.55000000 1.00000000 472a 16 473$ SULFUR (17s,11p,1d) -> [5s,4p,1d] 474$ SULFUR (1s,1p) 475$ SULFUR (1d) 476$ S-TYPE FUNCTIONS 477 17 5 0 478 21917.10000000 0.00186900 0.00000000 0.00000000 0.00000000 0.00000000 479 3301.49000000 0.01423000 0.00000000 0.00000000 0.00000000 0.00000000 480 754.14600000 0.06969600 0.00000000 0.00000000 0.00000000 0.00000000 481 212.71100000 0.23848700 0.00000000 0.00000000 0.00000000 0.00000000 482 67.98960000 0.48330700 0.00000000 0.00000000 0.00000000 0.00000000 483 23.05150000 0.33807400 0.00000000 0.00000000 0.00000000 0.00000000 484 423.73500000 0.00000000 -0.00237670 0.00000000 0.00000000 0.00000000 485 100.71000000 0.00000000 -0.03169300 0.00000000 0.00000000 0.00000000 486 32.15990000 0.00000000 -0.11331700 0.00000000 0.00000000 0.00000000 487 11.80790000 0.00000000 0.05609000 0.00000000 0.00000000 0.00000000 488 4.63110000 0.00000000 0.59225500 0.00000000 0.00000000 0.00000000 489 1.87025000 0.00000000 0.45500600 0.00000000 0.00000000 0.00000000 490 2.61584000 0.00000000 0.00000000 -0.25037400 0.00000000 0.00000000 491 0.92216700 0.00000000 0.00000000 0.06695700 0.00000000 0.00000000 492 0.34128700 0.00000000 0.00000000 1.05451000 0.00000000 0.00000000 493 0.11716700 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 494 0.04050000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 495$ P-TYPE FUNCTIONS 496 11 4 0 497 423.73500000 0.00406100 0.00000000 0.00000000 0.00000000 498 100.71000000 0.03068100 0.00000000 0.00000000 0.00000000 499 32.15990000 0.13045200 0.00000000 0.00000000 0.00000000 500 11.80790000 0.32720500 0.00000000 0.00000000 0.00000000 501 4.63110000 0.45285100 0.00000000 0.00000000 0.00000000 502 1.87025000 0.25604200 0.00000000 0.00000000 0.00000000 503 2.61584000 0.00000000 -0.01451100 0.00000000 0.00000000 504 0.92216700 0.00000000 0.31026300 0.00000000 0.00000000 505 0.34128700 0.00000000 0.75448300 0.00000000 0.00000000 506 0.11716700 0.00000000 0.00000000 1.00000000 0.00000000 507 0.04050000 0.00000000 0.00000000 0.00000000 1.00000000 508$ D-TYPE FUNCTIONS 509 1 1 0 510 0.65000000 1.00000000 511a 17 512$ CHLORINE (17s,11p,1d) -> [5s,4p,1d] 513$ CHLORINE (1s,1p) 514$ CHLORINE (1d) 515$ S-TYPE FUNCTIONS 516 17 5 0 517 25180.10000000 0.00183300 0.00000000 0.00000000 0.00000000 0.00000000 518 3780.35000000 0.01403400 0.00000000 0.00000000 0.00000000 0.00000000 519 860.47400000 0.06909700 0.00000000 0.00000000 0.00000000 0.00000000 520 242.14500000 0.23745200 0.00000000 0.00000000 0.00000000 0.00000000 521 77.33490000 0.48303400 0.00000000 0.00000000 0.00000000 0.00000000 522 26.24700000 0.33985600 0.00000000 0.00000000 0.00000000 0.00000000 523 491.76500000 0.00000000 -0.00229740 0.00000000 0.00000000 0.00000000 524 116.98400000 0.00000000 -0.03071400 0.00000000 0.00000000 0.00000000 525 37.41530000 0.00000000 -0.11252800 0.00000000 0.00000000 0.00000000 526 13.78340000 0.00000000 0.04501600 0.00000000 0.00000000 0.00000000 527 5.45215000 0.00000000 0.58935300 0.00000000 0.00000000 0.00000000 528 2.22588000 0.00000000 0.46520600 0.00000000 0.00000000 0.00000000 529 3.18649000 0.00000000 0.00000000 -0.25183000 0.00000000 0.00000000 530 1.14427000 0.00000000 0.00000000 0.06158900 0.00000000 0.00000000 531 0.42037700 0.00000000 0.00000000 1.06018000 0.00000000 0.00000000 532 0.14265700 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 533 0.04830000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 534$ P-TYPE FUNCTIONS 535 11 4 0 536 491.76500000 0.00398940 0.00000000 0.00000000 0.00000000 537 116.98400000 0.03031800 0.00000000 0.00000000 0.00000000 538 37.41530000 0.12988000 0.00000000 0.00000000 0.00000000 539 13.78340000 0.32795100 0.00000000 0.00000000 0.00000000 540 5.45215000 0.45352700 0.00000000 0.00000000 0.00000000 541 2.22588000 0.25215400 0.00000000 0.00000000 0.00000000 542 3.18649000 0.00000000 -0.01429900 0.00000000 0.00000000 543 1.14427000 0.00000000 0.32357200 0.00000000 0.00000000 544 0.42037700 0.00000000 0.74350700 0.00000000 0.00000000 545 0.14265700 0.00000000 0.00000000 1.00000000 0.00000000 546 0.04830000 0.00000000 0.00000000 0.00000000 1.00000000 547$ D-TYPE FUNCTIONS 548 1 1 0 549 0.75000000 1.00000000 550a 18 551$ ARGON (17s,11p,1d) -> [5s,4p,1d] 552$ ARGON (1s,1p) 553$ ARGON (1d) 554$ S-TYPE FUNCTIONS 555 17 5 0 556 28348.30000000 0.00182526 0.00000000 0.00000000 0.00000000 0.00000000 557 4257.62000000 0.01396860 0.00000000 0.00000000 0.00000000 0.00000000 558 969.85700000 0.06870730 0.00000000 0.00000000 0.00000000 0.00000000 559 273.26300000 0.23620400 0.00000000 0.00000000 0.00000000 0.00000000 560 87.36950000 0.48221400 0.00000000 0.00000000 0.00000000 0.00000000 561 29.68670000 0.34204300 0.00000000 0.00000000 0.00000000 0.00000000 562 575.89100000 0.00000000 -0.00215972 0.00000000 0.00000000 0.00000000 563 136.81600000 0.00000000 -0.02907750 0.00000000 0.00000000 0.00000000 564 43.80980000 0.00000000 -0.11082700 0.00000000 0.00000000 0.00000000 565 16.20940000 0.00000000 0.02769990 0.00000000 0.00000000 0.00000000 566 6.46084000 0.00000000 0.57761300 0.00000000 0.00000000 0.00000000 567 2.65114000 0.00000000 0.48868800 0.00000000 0.00000000 0.00000000 568 3.86028000 0.00000000 0.00000000 -0.25559200 0.00000000 0.00000000 569 1.41373000 0.00000000 0.00000000 0.03780660 0.00000000 0.00000000 570 0.51664600 0.00000000 0.00000000 1.08056000 0.00000000 0.00000000 571 0.17388800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 572 0.06000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 573$ P-TYPE FUNCTIONS 574 11 4 0 575 575.89100000 0.00380665 0.00000000 0.00000000 0.00000000 576 136.81600000 0.02923050 0.00000000 0.00000000 0.00000000 577 43.80980000 0.12646700 0.00000000 0.00000000 0.00000000 578 16.20940000 0.32351000 0.00000000 0.00000000 0.00000000 579 6.46084000 0.45489600 0.00000000 0.00000000 0.00000000 580 2.65114000 0.25663000 0.00000000 0.00000000 0.00000000 581 3.86028000 0.00000000 -0.01591970 0.00000000 0.00000000 582 1.41373000 0.00000000 0.32464600 0.00000000 0.00000000 583 0.51664600 0.00000000 0.74399000 0.00000000 0.00000000 584 0.17388800 0.00000000 0.00000000 1.00000000 0.00000000 585 0.06000000 0.00000000 0.00000000 0.00000000 1.00000000 586$ D-TYPE FUNCTIONS 587 1 1 0 588 0.85000000 1.00000000 589a 19 590$ POTASSIUM (23s,17p,1d) -> [6s,5p,1d] 591$ POTASSIUM (1s,1p) 592$ POTASSIUM (1d) 593$ S-TYPE FUNCTIONS 594 23 6 0 595 31594.42000000 0.00182801 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 596 4744.33000000 0.01399403 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 597 1080.41900000 0.06887129 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 598 304.23380000 0.23697600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 599 97.24586000 0.48290400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 600 33.02495000 0.34047950 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 601 622.76250000 0.00000000 -0.00250298 0.00000000 0.00000000 0.00000000 0.00000000 602 147.88390000 0.00000000 -0.03315550 0.00000000 0.00000000 0.00000000 0.00000000 603 47.32735000 0.00000000 -0.12263870 0.00000000 0.00000000 0.00000000 0.00000000 604 17.51495000 0.00000000 0.05353643 0.00000000 0.00000000 0.00000000 0.00000000 605 6.92272200 0.00000000 0.61938600 0.00000000 0.00000000 0.00000000 0.00000000 606 2.76827700 0.00000000 0.43458780 0.00000000 0.00000000 0.00000000 0.00000000 607 11.84802000 0.00000000 0.00000000 0.01277689 0.00000000 0.00000000 0.00000000 608 4.07921100 0.00000000 0.00000000 0.20987670 0.00000000 0.00000000 0.00000000 609 1.76348100 0.00000000 0.00000000 -0.00309527 0.00000000 0.00000000 0.00000000 610 0.78892700 0.00000000 0.00000000 -0.55938840 0.00000000 0.00000000 0.00000000 611 0.35038700 0.00000000 0.00000000 -0.51347600 0.00000000 0.00000000 0.00000000 612 0.14634400 0.00000000 0.00000000 -0.06598035 0.00000000 0.00000000 0.00000000 613 0.71680100 0.00000000 0.00000000 0.00000000 -0.05237772 0.00000000 0.00000000 614 0.23374100 0.00000000 0.00000000 0.00000000 -0.27985030 0.00000000 0.00000000 615 0.03867500 0.00000000 0.00000000 0.00000000 1.14154700 0.00000000 0.00000000 616 0.01652100 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 617 0.00470000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 618$ P-TYPE FUNCTIONS 619 17 5 0 620 622.76250000 0.00409464 0.00000000 0.00000000 0.00000000 0.00000000 621 147.88390000 0.03145199 0.00000000 0.00000000 0.00000000 0.00000000 622 47.32735000 0.13515580 0.00000000 0.00000000 0.00000000 0.00000000 623 17.51495000 0.33905000 0.00000000 0.00000000 0.00000000 0.00000000 624 6.92272200 0.46294550 0.00000000 0.00000000 0.00000000 0.00000000 625 2.76827700 0.22426380 0.00000000 0.00000000 0.00000000 0.00000000 626 11.84802000 0.00000000 -0.01221377 0.00000000 0.00000000 0.00000000 627 4.07921100 0.00000000 -0.00690054 0.00000000 0.00000000 0.00000000 628 1.76348100 0.00000000 0.20074660 0.00000000 0.00000000 0.00000000 629 0.78892700 0.00000000 0.42813320 0.00000000 0.00000000 0.00000000 630 0.35038700 0.00000000 0.39701560 0.00000000 0.00000000 0.00000000 631 0.14634400 0.00000000 0.11047180 0.00000000 0.00000000 0.00000000 632 0.71680100 0.00000000 0.00000000 0.03164300 0.00000000 0.00000000 633 0.23374100 0.00000000 0.00000000 -0.04046160 0.00000000 0.00000000 634 0.03867500 0.00000000 0.00000000 1.01202900 0.00000000 0.00000000 635 0.01652100 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 636 0.00470000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 637$ D-TYPE FUNCTIONS 638 1 1 0 639 0.20000000 1.00000000 640a 20 641$ CALCIUM (23s,17p,1d) -> [6s,5p,1d] 642$ CALCIUM (1s,1p) 643$ CALCIUM (1d) 644$ S-TYPE FUNCTIONS 645 23 6 0 646 35264.86000000 0.00181350 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 647 5295.50300000 0.01388493 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 648 1206.02000000 0.06836162 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 649 339.68390000 0.23561880 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 650 108.62640000 0.48206390 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 651 36.92103000 0.34298190 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 652 706.30960000 0.00000000 0.00244823 0.00000000 0.00000000 0.00000000 0.00000000 653 167.81870000 0.00000000 0.03241504 0.00000000 0.00000000 0.00000000 0.00000000 654 53.82558000 0.00000000 0.12262190 0.00000000 0.00000000 0.00000000 0.00000000 655 20.01638000 0.00000000 -0.04316965 0.00000000 0.00000000 0.00000000 0.00000000 656 7.97027900 0.00000000 -0.61269950 0.00000000 0.00000000 0.00000000 0.00000000 657 3.21205900 0.00000000 -0.44875400 0.00000000 0.00000000 0.00000000 0.00000000 658 14.19518000 0.00000000 0.00000000 0.01084500 0.00000000 0.00000000 0.00000000 659 4.88082800 0.00000000 0.00000000 0.20883330 0.00000000 0.00000000 0.00000000 660 2.16039000 0.00000000 0.00000000 0.03150338 0.00000000 0.00000000 0.00000000 661 0.98789900 0.00000000 0.00000000 -0.55265180 0.00000000 0.00000000 0.00000000 662 0.44951700 0.00000000 0.00000000 -0.54379970 0.00000000 0.00000000 0.00000000 663 0.18738700 0.00000000 0.00000000 -0.06669342 0.00000000 0.00000000 0.00000000 664 1.03227100 0.00000000 0.00000000 0.00000000 -0.04439720 0.00000000 0.00000000 665 0.38117100 0.00000000 0.00000000 0.00000000 -0.32845630 0.00000000 0.00000000 666 0.06513100 0.00000000 0.00000000 0.00000000 1.16301000 0.00000000 0.00000000 667 0.02601000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 668 0.00710000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 669$ P-TYPE FUNCTIONS 670 17 5 0 671 706.30960000 0.00402037 0.00000000 0.00000000 0.00000000 0.00000000 672 167.81870000 0.03100601 0.00000000 0.00000000 0.00000000 0.00000000 673 53.82558000 0.13372790 0.00000000 0.00000000 0.00000000 0.00000000 674 20.01638000 0.33679830 0.00000000 0.00000000 0.00000000 0.00000000 675 7.97027900 0.46312810 0.00000000 0.00000000 0.00000000 0.00000000 676 3.21205900 0.22575320 0.00000000 0.00000000 0.00000000 0.00000000 677 14.19518000 0.00000000 -0.01289621 0.00000000 0.00000000 0.00000000 678 4.88082800 0.00000000 -0.01025198 0.00000000 0.00000000 0.00000000 679 2.16039000 0.00000000 0.19597810 0.00000000 0.00000000 0.00000000 680 0.98789900 0.00000000 0.43579330 0.00000000 0.00000000 0.00000000 681 0.44951700 0.00000000 0.39964520 0.00000000 0.00000000 0.00000000 682 0.18738700 0.00000000 0.09713636 0.00000000 0.00000000 0.00000000 683 1.03227100 0.00000000 0.00000000 -0.42986210 0.00000000 0.00000000 684 0.38117100 0.00000000 0.00000000 0.00693583 0.00000000 0.00000000 685 0.06513100 0.00000000 0.00000000 0.97059330 0.00000000 0.00000000 686 0.02601000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 687 0.00710000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 688$ D-TYPE FUNCTIONS 689 1 1 0 690 0.20000000 1.00000000 691 692$ END OF BASIS 693 694