1$ 6-311++G(2d,2p) EMSL Basis Set Exchange Library 6/18/08 5:07 PM 2$ 3$ Elements supported 4$ H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar K Ca 5$ 6$ Elements References 7$ -------- ---------- 8$ H, Li - Ne: R. Krishnan, J.S. Binkley, R. Seeger and J.A. Pople, 9$ J. Chem. Phys. 72, 650 (1980) 10$ Na - Ar: A.D. McLean and G.S. Chandler J. Chem. Phys. 72, 5639, (1980). 11$ K - Ca: J-P. Blaudeau, M. P. McGrath, L.A. Curtiss and L. Radom, 12$ J. Chem. Phys. 107, 5016 (1997). 13$ Ga - Kr: L. A. Curtiss, M. P. McGrath, J-P. Blandeau, N. E. Davis, 14$ R. C. Binning, Jr. L. Radom, J. Chem. Phys. 103, 6104 (1995). 15$ I : M.N. Glukhovstev, A. pross, M.P. McGrath, L. Radom, J. Chem. Phys. 16$ 103, 1878 (1995) 17$ 18$ Elements References 19$ -------- ---------- 20$ H-Ne: M.J. Frisch, J.A. Pople and J.S. Binkley, J. Chem. Phys. 80, 3265 (1984) 21$ 22$ Elements Reference 23$ -------- ---------- 24$ H, Li-Cl: T. Clark, J. Chandrasekhar, G.W. Spitznagel, P.V.R. Schleyer, 25$ J. Comp. Chem. 4, 294 (1983). 26$ 27$**************************************************** 28a 1 29$ HYDROGEN (6s,2p) -> [4s,2p] 30$ HYDROGEN (5s)->[3s] 31$ HYDROGEN (2p) 32$ HYDROGEN (1s) 33$ S-TYPE FUNCTIONS 34 6 4 0 35 33.86500000 0.02549380 0.00000000 0.00000000 0.00000000 36 5.09479000 0.19037300 0.00000000 0.00000000 0.00000000 37 1.15879000 0.85216100 0.00000000 0.00000000 0.00000000 38 0.32584000 0.00000000 1.00000000 0.00000000 0.00000000 39 0.10274100 0.00000000 0.00000000 1.00000000 0.00000000 40 0.03600000 0.00000000 0.00000000 0.00000000 1.00000000 41$ P-TYPE FUNCTIONS 42 2 2 0 43 1.50000000 1.00000000 0.00000000 44 0.37500000 0.00000000 1.00000000 45a 2 46$ HELIUM (5s) -> [3s] 47$ HELIUM (2p) 48$ S-TYPE FUNCTIONS 49 6 4 0 50 98.1243000 0.02874520 0.00000000 0.00000000 0.00000000 51 14.7689000 0.20806100 0.00000000 0.00000000 0.00000000 52 3.3188300 0.83763500 0.00000000 0.00000000 0.00000000 53 0.8740470 0.00000000 1.00000000 0.00000000 0.00000000 54 0.2445640 0.00000000 0.00000000 1.00000000 0.00000000 55 0.0860000 0.00000000 0.00000000 0.00000000 1.00000000 56$ P-TYPE FUNCTIONS 57 2 2 0 58 1.5000000 1.00000000 0.00000000 59 0.3750000 0.00000000 1.00000000 60a 3 61$ LITHIUM (12s,6p,2d) -> [5s,4p,2d] 62$ LITHIUM (11s,5p)->[4s,3p] 63$ LITHIUM (2d) 64$ LITHIUM (1s,1p) 65$ S-TYPE FUNCTIONS 66 12 5 0 67 900.46000000 0.00228704 0.00000000 0.00000000 0.00000000 0.00000000 68 134.43300000 0.01763500 0.00000000 0.00000000 0.00000000 0.00000000 69 30.43650000 0.08734340 0.00000000 0.00000000 0.00000000 0.00000000 70 8.62639000 0.28097700 0.00000000 0.00000000 0.00000000 0.00000000 71 2.48332000 0.65874100 0.00000000 0.00000000 0.00000000 0.00000000 72 0.30317900 0.11871200 0.00000000 0.00000000 0.00000000 0.00000000 73 4.86890000 0.00000000 0.09332930 0.00000000 0.00000000 0.00000000 74 0.85692400 0.00000000 0.94304500 0.00000000 0.00000000 0.00000000 75 0.24322700 0.00000000 -0.00279827 0.00000000 0.00000000 0.00000000 76 0.06350700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 77 0.02436830 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 78 0.00740000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 79$ P-TYPE FUNCTIONS 80 6 4 0 81 4.86890000 0.03276610 0.00000000 0.00000000 0.00000000 82 0.85692400 0.15979200 0.00000000 0.00000000 0.00000000 83 0.24322700 0.88566700 0.00000000 0.00000000 0.00000000 84 0.06350700 0.00000000 1.00000000 0.00000000 0.00000000 85 0.02436830 0.00000000 0.00000000 1.00000000 0.00000000 86 0.00740000 0.00000000 0.00000000 0.00000000 1.00000000 87$ D-TYPE FUNCTIONS 88 2 2 0 89 0.40000000 1.00000000 0.00000000 90 0.10000000 0.00000000 1.00000000 91a 4 92$ BERYLLIUM (12s,6p,2d) -> [5s,4p,2d] 93$ BERYLLIUM (11s,5p)->[4s,3p] 94$ BERYLLIUM (2d) 95$ BERYLLIUM (1s,1p) 96$ S-TYPE FUNCTIONS 97 12 5 0 98 1682.80000000 0.00228574 0.00000000 0.00000000 0.00000000 0.00000000 99 251.71500000 0.01759380 0.00000000 0.00000000 0.00000000 0.00000000 100 57.41160000 0.08633150 0.00000000 0.00000000 0.00000000 0.00000000 101 16.51710000 0.28183500 0.00000000 0.00000000 0.00000000 0.00000000 102 4.85364000 0.64059400 0.00000000 0.00000000 0.00000000 0.00000000 103 0.62686300 0.14446700 0.00000000 0.00000000 0.00000000 0.00000000 104 8.30938000 0.00000000 0.10862100 0.00000000 0.00000000 0.00000000 105 1.74075000 0.00000000 0.92730100 0.00000000 0.00000000 0.00000000 106 0.48581600 0.00000000 -0.00297169 0.00000000 0.00000000 0.00000000 107 0.16361300 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 108 0.05672850 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 109 0.02070000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 110$ P-TYPE FUNCTIONS 111 6 4 0 112 8.30938000 0.03613440 0.00000000 0.00000000 0.00000000 113 1.74075000 0.21695800 0.00000000 0.00000000 0.00000000 114 0.48581600 0.84183900 0.00000000 0.00000000 0.00000000 115 0.16361300 0.00000000 1.00000000 0.00000000 0.00000000 116 0.05672850 0.00000000 0.00000000 1.00000000 0.00000000 117 0.02070000 0.00000000 0.00000000 0.00000000 1.00000000 118$ D-TYPE FUNCTIONS 119 2 2 0 120 0.51000000 1.00000000 0.00000000 121 0.12750000 0.00000000 1.00000000 122a 5 123$ BORON (12s,6p,2d) -> [5s,4p,2d] 124$ BORON (11s,5p)->[4s,3p] 125$ BORON (2d) 126$ BORON (1s,1p) 127$ S-TYPE FUNCTIONS 128 12 5 0 129 2858.89000000 0.00215375 0.00000000 0.00000000 0.00000000 0.00000000 130 428.14000000 0.01658230 0.00000000 0.00000000 0.00000000 0.00000000 131 97.52820000 0.08218700 0.00000000 0.00000000 0.00000000 0.00000000 132 27.96930000 0.27661800 0.00000000 0.00000000 0.00000000 0.00000000 133 8.21577000 0.62931600 0.00000000 0.00000000 0.00000000 0.00000000 134 1.11278000 0.17377000 0.00000000 0.00000000 0.00000000 0.00000000 135 13.24150000 0.00000000 0.11744300 0.00000000 0.00000000 0.00000000 136 3.00166000 0.00000000 0.91800200 0.00000000 0.00000000 0.00000000 137 0.91285600 0.00000000 -0.00265105 0.00000000 0.00000000 0.00000000 138 0.31545400 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 139 0.09885630 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 140 0.03150000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 141$ P-TYPE FUNCTIONS 142 6 4 0 143 13.24150000 0.04181000 0.00000000 0.00000000 0.00000000 144 3.00166000 0.23657500 0.00000000 0.00000000 0.00000000 145 0.91285600 0.81621400 0.00000000 0.00000000 0.00000000 146 0.31545400 0.00000000 1.00000000 0.00000000 0.00000000 147 0.09885630 0.00000000 0.00000000 1.00000000 0.00000000 148 0.03150000 0.00000000 0.00000000 0.00000000 1.00000000 149$ D-TYPE FUNCTIONS 150 2 2 0 151 0.80200000 1.00000000 0.00000000 152 0.20050000 0.00000000 1.00000000 153a 6 154$ CARBON (12s,6p,2d) -> [5s,4p,2d] 155$ CARBON (11s,5p)->[4s,3p] 156$ CARBON (2d) 157$ CARBON (1s,1p) 158$ S-TYPE FUNCTIONS 159 12 5 0 160 4563.24000000 0.00196665 0.00000000 0.00000000 0.00000000 0.00000000 161 682.02400000 0.01523060 0.00000000 0.00000000 0.00000000 0.00000000 162 154.97300000 0.07612690 0.00000000 0.00000000 0.00000000 0.00000000 163 44.45530000 0.26080100 0.00000000 0.00000000 0.00000000 0.00000000 164 13.02900000 0.61646200 0.00000000 0.00000000 0.00000000 0.00000000 165 1.82773000 0.22100600 0.00000000 0.00000000 0.00000000 0.00000000 166 20.96420000 0.00000000 0.11466000 0.00000000 0.00000000 0.00000000 167 4.80331000 0.00000000 0.91999900 0.00000000 0.00000000 0.00000000 168 1.45933000 0.00000000 -0.00303068 0.00000000 0.00000000 0.00000000 169 0.48345600 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 170 0.14558500 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 171 0.04380000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 172$ P-TYPE FUNCTIONS 173 6 4 0 174 20.96420000 0.04024870 0.00000000 0.00000000 0.00000000 175 4.80331000 0.23759400 0.00000000 0.00000000 0.00000000 176 1.45933000 0.81585400 0.00000000 0.00000000 0.00000000 177 0.48345600 0.00000000 1.00000000 0.00000000 0.00000000 178 0.14558500 0.00000000 0.00000000 1.00000000 0.00000000 179 0.04380000 0.00000000 0.00000000 0.00000000 1.00000000 180$ D-TYPE FUNCTIONS 181 2 2 0 182 1.25200000 1.00000000 0.00000000 183 0.31300000 0.00000000 1.00000000 184a 7 185$ NITROGEN (12s,6p,2d) -> [5s,4p,2d] 186$ NITROGEN (11s,5p)->[4s,3p] 187$ NITROGEN (2d) 188$ NITROGEN (1s,1p) 189$ S-TYPE FUNCTIONS 190 12 5 0 191 6293.48000000 0.00196979 0.00000000 0.00000000 0.00000000 0.00000000 192 949.04400000 0.01496130 0.00000000 0.00000000 0.00000000 0.00000000 193 218.77600000 0.07350060 0.00000000 0.00000000 0.00000000 0.00000000 194 63.69160000 0.24893700 0.00000000 0.00000000 0.00000000 0.00000000 195 18.82820000 0.60246000 0.00000000 0.00000000 0.00000000 0.00000000 196 2.72023000 0.25620200 0.00000000 0.00000000 0.00000000 0.00000000 197 30.63310000 0.00000000 0.11190600 0.00000000 0.00000000 0.00000000 198 7.02614000 0.00000000 0.92166600 0.00000000 0.00000000 0.00000000 199 2.11205000 0.00000000 -0.00256919 0.00000000 0.00000000 0.00000000 200 0.68400900 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 201 0.20087800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 202 0.06390000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 203$ P-TYPE FUNCTIONS 204 6 4 0 205 30.63310000 0.03831190 0.00000000 0.00000000 0.00000000 206 7.02614000 0.23740300 0.00000000 0.00000000 0.00000000 207 2.11205000 0.81759200 0.00000000 0.00000000 0.00000000 208 0.68400900 0.00000000 1.00000000 0.00000000 0.00000000 209 0.20087800 0.00000000 0.00000000 1.00000000 0.00000000 210 0.06390000 0.00000000 0.00000000 0.00000000 1.00000000 211$ D-TYPE FUNCTIONS 212 2 2 0 213 1.82600000 1.00000000 0.00000000 214 0.45650000 0.00000000 1.00000000 215a 8 216$ OXYGEN (12s,6p,2d) -> [5s,4p,2d] 217$ OXYGEN (11s,5p)->[4s,3p] 218$ OXYGEN (2d) 219$ OXYGEN (1s,1p) 220$ S-TYPE FUNCTIONS 221 12 5 0 222 8588.50000000 0.00189515 0.00000000 0.00000000 0.00000000 0.00000000 223 1297.23000000 0.01438590 0.00000000 0.00000000 0.00000000 0.00000000 224 299.29600000 0.07073200 0.00000000 0.00000000 0.00000000 0.00000000 225 87.37710000 0.24000100 0.00000000 0.00000000 0.00000000 0.00000000 226 25.67890000 0.59479700 0.00000000 0.00000000 0.00000000 0.00000000 227 3.74004000 0.28080200 0.00000000 0.00000000 0.00000000 0.00000000 228 42.11750000 0.00000000 0.11388900 0.00000000 0.00000000 0.00000000 229 9.62837000 0.00000000 0.92081100 0.00000000 0.00000000 0.00000000 230 2.85332000 0.00000000 -0.00327447 0.00000000 0.00000000 0.00000000 231 0.90566100 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 232 0.25561100 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 233 0.08450000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 234$ P-TYPE FUNCTIONS 235 6 4 0 236 42.11750000 0.03651140 0.00000000 0.00000000 0.00000000 237 9.62837000 0.23715300 0.00000000 0.00000000 0.00000000 238 2.85332000 0.81970200 0.00000000 0.00000000 0.00000000 239 0.90566100 0.00000000 1.00000000 0.00000000 0.00000000 240 0.25561100 0.00000000 0.00000000 1.00000000 0.00000000 241 0.08450000 0.00000000 0.00000000 0.00000000 1.00000000 242$ D-TYPE FUNCTIONS 243 2 2 0 244 2.58400000 1.00000000 0.00000000 245 0.64600000 0.00000000 1.00000000 246a 9 247$ FLUORINE (12s,6p,2d) -> [5s,4p,2d] 248$ FLUORINE (11s,5p)->[4s,3p] 249$ FLUORINE (2d) 250$ FLUORINE (1s,1p) 251$ S-TYPE FUNCTIONS 252 12 5 0 253 11427.10000000 0.00180093 0.00000000 0.00000000 0.00000000 0.00000000 254 1722.35000000 0.01374190 0.00000000 0.00000000 0.00000000 0.00000000 255 395.74600000 0.06813340 0.00000000 0.00000000 0.00000000 0.00000000 256 115.13900000 0.23332500 0.00000000 0.00000000 0.00000000 0.00000000 257 33.60260000 0.58908600 0.00000000 0.00000000 0.00000000 0.00000000 258 4.91901000 0.29950500 0.00000000 0.00000000 0.00000000 0.00000000 259 55.44410000 0.00000000 0.11453600 0.00000000 0.00000000 0.00000000 260 12.63230000 0.00000000 0.92051200 0.00000000 0.00000000 0.00000000 261 3.71756000 0.00000000 -0.00337804 0.00000000 0.00000000 0.00000000 262 1.16545000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 263 0.32189200 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 264 0.10760000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 265$ P-TYPE FUNCTIONS 266 6 4 0 267 55.44410000 0.03546090 0.00000000 0.00000000 0.00000000 268 12.63230000 0.23745100 0.00000000 0.00000000 0.00000000 269 3.71756000 0.82045800 0.00000000 0.00000000 0.00000000 270 1.16545000 0.00000000 1.00000000 0.00000000 0.00000000 271 0.32189200 0.00000000 0.00000000 1.00000000 0.00000000 272 0.10760000 0.00000000 0.00000000 0.00000000 1.00000000 273$ D-TYPE FUNCTIONS 274 2 2 0 275 2.39600000 1.00000000 0.00000000 276 0.87500000 0.00000000 1.00000000 277a 10 278$ NEON (12s,6p,2d) -> [5s,4p,2d] 279$ NEON (11s,5p)->[4s,3p] 280$ NEON (2d) 281$ NEON (1s,1p) 282$ S-TYPE FUNCTIONS 283 12 5 0 284 13995.70000000 0.00183276 0.00000000 0.00000000 0.00000000 0.00000000 285 2117.10000000 0.01388270 0.00000000 0.00000000 0.00000000 0.00000000 286 490.42500000 0.06806870 0.00000000 0.00000000 0.00000000 0.00000000 287 143.83300000 0.23132800 0.00000000 0.00000000 0.00000000 0.00000000 288 41.92650000 0.58589000 0.00000000 0.00000000 0.00000000 0.00000000 289 6.15684000 0.30588300 0.00000000 0.00000000 0.00000000 0.00000000 290 69.12110000 0.00000000 0.11914900 0.00000000 0.00000000 0.00000000 291 15.83500000 0.00000000 0.91737500 0.00000000 0.00000000 0.00000000 292 4.67326000 0.00000000 -0.00405839 0.00000000 0.00000000 0.00000000 293 1.45756000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 294 0.39705700 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 295 0.13000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 296$ P-TYPE FUNCTIONS 297 6 4 0 298 69.12110000 0.03565740 0.00000000 0.00000000 0.00000000 299 15.83500000 0.23947700 0.00000000 0.00000000 0.00000000 300 4.67326000 0.81846100 0.00000000 0.00000000 0.00000000 301 1.45756000 0.00000000 1.00000000 0.00000000 0.00000000 302 0.39705700 0.00000000 0.00000000 1.00000000 0.00000000 303 0.13000000 0.00000000 0.00000000 0.00000000 1.00000000 304$ D-TYPE FUNCTIONS 305 2 2 0 306 4.60800000 1.00000000 0.00000000 307 1.15200000 0.00000000 1.00000000 308a 11 309$ SODIUM (14s,10p,2d) -> [7s,6p,2d] 310$ SODIUM (13s,9p)->[6s,5p] 311$ SODIUM (2d) 312$ SODIUM (1s,1p) 313$ S-TYPE FUNCTIONS 314 14 7 0 315 36166.40000000 0.00103200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 316 0.00000000 317 5372.58000000 0.00807100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 318 0.00000000 319 1213.21000000 0.04212900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 320 0.00000000 321 339.62300000 0.16978900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 322 0.00000000 323 109.55300000 0.51462100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 324 0.00000000 325 38.77730000 0.37981700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 326 0.00000000 327 38.77730000 0.00000000 0.37476200 0.00000000 0.00000000 0.00000000 0.00000000 328 0.00000000 329 14.57590000 0.00000000 0.57576900 0.00000000 0.00000000 0.00000000 0.00000000 330 0.00000000 331 5.26993000 0.00000000 0.11293300 0.00000000 0.00000000 0.00000000 0.00000000 332 0.00000000 333 1.82777000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 334 0.00000000 335 0.61994800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 336 0.00000000 337 0.05724000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 338 0.00000000 339 0.02404800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 340 0.00000000 341 0.00760000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 342 1.00000000 343$ P-TYPE FUNCTIONS 344 10 6 0 345 144.64500000 0.01148500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 346 33.90740000 0.08238300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 347 10.62850000 0.31965800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 348 3.82389000 0.70129500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 349 1.44429000 0.00000000 0.63850600 0.00000000 0.00000000 0.00000000 0.00000000 350 0.55262100 0.00000000 0.42536500 0.00000000 0.00000000 0.00000000 0.00000000 351 0.18872000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 352 0.04650100 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 353 0.01628500 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 354 0.00760000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 355$ D-TYPE FUNCTIONS 356 2 2 0 357 0.35000000 1.00000000 0.00000000 358 0.08750000 0.00000000 1.00000000 359a 12 360$ MAGNESIUM (14s,10p,2d) -> [7s,6p,2d] 361$ MAGNESIUM (13s,9p)->[6s,5p] 362$ MAGNESIUM (2d) 363$ MAGNESIUM (1s,1p) 364$ S-TYPE FUNCTIONS 365 14 7 0 366 43866.50000000 0.00091800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 367 0.00000000 368 6605.37000000 0.00704700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 369 0.00000000 370 1513.26000000 0.03594100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 371 0.00000000 372 432.31700000 0.14146100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 373 0.00000000 374 142.14900000 0.42676400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 375 0.00000000 376 51.39830000 0.49797500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 377 0.00000000 378 51.39830000 0.00000000 0.25135500 0.00000000 0.00000000 0.00000000 0.00000000 379 0.00000000 380 19.91960000 0.00000000 0.61867100 0.00000000 0.00000000 0.00000000 0.00000000 381 0.00000000 382 8.02474000 0.00000000 0.18841700 0.00000000 0.00000000 0.00000000 0.00000000 383 0.00000000 384 2.50817000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 385 0.00000000 386 0.87153100 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 387 0.00000000 388 0.10818800 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 389 0.00000000 390 0.04013000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 391 0.00000000 392 0.01460000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 393 1.00000000 394$ P-TYPE FUNCTIONS 395 10 6 0 396 193.85400000 0.01018800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 397 45.44200000 0.07536000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 398 14.18640000 0.30741900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 399 5.05751000 0.71757500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 400 1.88861000 0.00000000 0.66733900 0.00000000 0.00000000 0.00000000 0.00000000 401 0.72265200 0.00000000 0.39464900 0.00000000 0.00000000 0.00000000 0.00000000 402 0.23641700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 403 0.09335800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 404 0.03480900 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 405 0.01460000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 406$ D-TYPE FUNCTIONS 407 2 2 0 408 0.35000000 1.00000000 0.00000000 409 0.08750000 0.00000000 1.00000000 410a 13 411$ ALUMINUM (14s,10p,2d) -> [7s,6p,2d] 412$ ALUMINUM (13s,9p)->[6s,5p] 413$ ALUMINUM (2d) 414$ ALUMINUM (1s,1p) 415$ S-TYPE FUNCTIONS 416 14 7 0 417 54866.48900000 0.00083900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 418 0.00000000 419 8211.76650000 0.00652700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 420 0.00000000 421 1866.17610000 0.03366600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 422 0.00000000 423 531.12934000 0.13290200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 424 0.00000000 425 175.11797000 0.40126600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 426 0.00000000 427 64.00550000 0.53133800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 428 0.00000000 429 64.00550000 0.00000000 0.20230500 0.00000000 0.00000000 0.00000000 0.00000000 430 0.00000000 431 25.29250700 0.00000000 0.62479000 0.00000000 0.00000000 0.00000000 0.00000000 432 0.00000000 433 10.53491000 0.00000000 0.22743900 0.00000000 0.00000000 0.00000000 0.00000000 434 0.00000000 435 3.20671100 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 436 0.00000000 437 1.15255500 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 438 0.00000000 439 0.17667800 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 440 0.00000000 441 0.06523700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 442 0.00000000 443 0.03180000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 444 1.00000000 445$ P-TYPE FUNCTIONS 446 10 6 0 447 259.28362000 0.00944800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 448 61.07687000 0.07097400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 449 19.30323700 0.29563600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 450 7.01088200 0.72821900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 451 2.67386500 0.00000000 0.64446700 0.00000000 0.00000000 0.00000000 0.00000000 452 1.03659600 0.00000000 0.41741300 0.00000000 0.00000000 0.00000000 0.00000000 453 0.31681900 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 454 0.11425700 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 455 0.04139700 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 456 0.03180000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 457$ D-TYPE FUNCTIONS 458 2 2 0 459 0.65000000 1.00000000 0.00000000 460 0.16250000 0.00000000 1.00000000 461a 14 462$ SILICON (14s,10p,2d) -> [7s,6p,2d] 463$ SILICON (13s,9p)->[6s,5p] 464$ SILICON (2d) 465$ SILICON (1s,1p) 466$ S-TYPE FUNCTIONS 467 14 7 0 468 69379.23000000 0.00075700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 469 0.00000000 470 10354.94000000 0.00593200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 471 0.00000000 472 2333.87960000 0.03108800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 473 0.00000000 474 657.14295000 0.12496700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 475 0.00000000 476 214.30113000 0.38689700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 477 0.00000000 478 77.62916800 0.55488800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 479 0.00000000 480 77.62916800 0.00000000 0.17788100 0.00000000 0.00000000 0.00000000 0.00000000 481 0.00000000 482 30.63080700 0.00000000 0.62776500 0.00000000 0.00000000 0.00000000 0.00000000 483 0.00000000 484 12.80129500 0.00000000 0.24762300 0.00000000 0.00000000 0.00000000 0.00000000 485 0.00000000 486 3.92686600 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 487 0.00000000 488 1.45234300 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 489 0.00000000 490 0.25623400 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 491 0.00000000 492 0.09427900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 493 0.00000000 494 0.03310000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 495 1.00000000 496$ P-TYPE FUNCTIONS 497 10 6 0 498 335.48319000 0.00886600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 499 78.90036600 0.06829900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 500 24.98815000 0.29095800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 501 9.21971100 0.73211700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 502 3.62114000 0.00000000 0.61987900 0.00000000 0.00000000 0.00000000 0.00000000 503 1.45131000 0.00000000 0.43914800 0.00000000 0.00000000 0.00000000 0.00000000 504 0.50497700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 505 0.18631700 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 506 0.06543200 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 507 0.03310000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 508$ D-TYPE FUNCTIONS 509 2 2 0 510 0.90000000 1.00000000 0.00000000 511 0.22500000 0.00000000 1.00000000 512a 15 513$ PHOSPHOROUS (14s,10p,2d) -> [7s,6p,2d] 514$ PHOSPHOROUS (13s,9p)->[6s,5p] 515$ PHOSPHOROUS (2d) 516$ PHOSPHOROUS (1s,1p) 517$ S-TYPE FUNCTIONS 518 14 7 0 519 77492.40000000 0.00078100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 520 0.00000000 521 11605.80000000 0.00606800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 522 0.00000000 523 2645.96000000 0.03116000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 524 0.00000000 525 754.97600000 0.12343100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 526 0.00000000 527 248.75500000 0.37820900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 528 0.00000000 529 91.15650000 0.56326200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 530 0.00000000 531 91.15650000 0.00000000 0.16025500 0.00000000 0.00000000 0.00000000 0.00000000 532 0.00000000 533 36.22570000 0.00000000 0.62764700 0.00000000 0.00000000 0.00000000 0.00000000 534 0.00000000 535 15.21130000 0.00000000 0.26384900 0.00000000 0.00000000 0.00000000 0.00000000 536 0.00000000 537 4.79417000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 538 0.00000000 539 1.80793000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 540 0.00000000 541 0.35681600 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 542 0.00000000 543 0.11478300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 544 0.00000000 545 0.03480000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 546 1.00000000 547$ P-TYPE FUNCTIONS 548 10 6 0 549 384.84300000 0.00920600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 550 90.55210000 0.06987400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 551 29.13390000 0.29247000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 552 10.88620000 0.72810300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 553 4.35259000 0.00000000 0.62834900 0.00000000 0.00000000 0.00000000 0.00000000 554 1.77706000 0.00000000 0.42804400 0.00000000 0.00000000 0.00000000 0.00000000 555 0.69700500 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 556 0.25353200 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 557 0.06849300 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 558 0.03480000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 559$ D-TYPE FUNCTIONS 560 2 2 0 561 1.10000000 1.00000000 0.00000000 562 0.27500000 0.00000000 1.00000000 563a 16 564$ SULFUR (14s,10p,2d) -> [7s,6p,2d] 565$ SULFUR (13s,9p)->[6s,5p] 566$ SULFUR (2d) 567$ SULFUR (1s,1p) 568$ S-TYPE FUNCTIONS 569 14 7 0 570 93413.40000000 0.00074300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 571 0.00000000 572 13961.70000000 0.00579300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 573 0.00000000 574 3169.91000000 0.02995400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 575 0.00000000 576 902.45600000 0.11902800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 577 0.00000000 578 297.15800000 0.36843200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 579 0.00000000 580 108.70200000 0.57729900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 581 0.00000000 582 108.70200000 0.00000000 0.14318600 0.00000000 0.00000000 0.00000000 0.00000000 583 0.00000000 584 43.15530000 0.00000000 0.62446500 0.00000000 0.00000000 0.00000000 0.00000000 585 0.00000000 586 18.10790000 0.00000000 0.28336600 0.00000000 0.00000000 0.00000000 0.00000000 587 0.00000000 588 5.56009000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 589 0.00000000 590 2.13183000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 591 0.00000000 592 0.42040300 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 593 0.00000000 594 0.13604500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 595 0.00000000 596 0.04050000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 597 1.00000000 598$ P-TYPE FUNCTIONS 599 10 6 0 600 495.04000000 0.00830900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 601 117.22100000 0.06402400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 602 37.77490000 0.27761400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 603 14.05840000 0.74507600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 604 5.56574000 0.00000000 0.61371200 0.00000000 0.00000000 0.00000000 0.00000000 605 2.26297000 0.00000000 0.44381800 0.00000000 0.00000000 0.00000000 0.00000000 606 0.80799400 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 607 0.27746000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 608 0.07714100 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 609 0.04050000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 610$ D-TYPE FUNCTIONS 611 2 2 0 612 1.30000000 1.00000000 0.00000000 613 0.32500000 0.00000000 1.00000000 614a 17 615$ CHLORINE (14s,11p,2d) -> [7s,6p,2d] 616$ CHLORINE (13s,10p)->[6s,5p] 617$ CHLORINE (2d) 618$ CHLORINE (1s,1p) 619$ S-TYPE FUNCTIONS 620 14 7 0 621 105819.00000 0.00073800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 622 0.00000000 623 15872.00000000 0.00571800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 624 0.00000000 625 3619.65000000 0.02949500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 626 0.00000000 627 1030.80000000 0.11728600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 628 0.00000000 629 339.90800000 0.36294900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 630 0.00000000 631 124.53800000 0.58414900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 632 0.00000000 633 124.53800000 0.00000000 0.13417700 0.00000000 0.00000000 0.00000000 0.00000000 634 0.00000000 635 49.51350000 0.00000000 0.62425000 0.00000000 0.00000000 0.00000000 0.00000000 636 0.00000000 637 20.80560000 0.00000000 0.29175600 0.00000000 0.00000000 0.00000000 0.00000000 638 0.00000000 639 6.58346000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 640 0.00000000 641 2.56468000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 642 0.00000000 643 0.55976300 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 644 0.00000000 645 0.18327300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 646 0.00000000 647 0.04830000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 648 1.00000000 649$ P-TYPE FUNCTIONS 650 11 6 0 651 589.77600000 0.00239100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 652 139.84900000 0.01850400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 653 45.14130000 0.08137700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 654 16.87330000 0.22155200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 655 6.74110000 0.77256900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 656 6.74110000 0.00000000 -1.57224400 0.00000000 0.00000000 0.00000000 0.00000000 657 2.77152000 0.00000000 0.99238900 0.00000000 0.00000000 0.00000000 0.00000000 658 1.02387000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 659 0.38136800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 660 0.10943700 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 661 0.04830000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 662$ D-TYPE FUNCTIONS 663 2 2 0 664 1.50000000 1.00000000 0.00000000 665 0.37500000 0.00000000 1.00000000 666a 18 667$ ARGON (14s,11p,2d) -> [7s,6p,2d] 668$ ARGON (13s,10p)->[6s,5p] 669$ ARGON (2d) 670$ ARGON (1s,1p) 671$ S-TYPE FUNCTIONS 672 14 7 0 673 118022.38000 0.00074700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 674 0.00000000 675 17683.54100000 0.00579000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 676 0.00000000 677 4027.76570000 0.02991900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 678 0.00000000 679 1145.39770000 0.11920600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 680 0.00000000 681 377.16375000 0.36902800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 682 0.00000000 683 138.15969000 0.57645900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 684 0.00000000 685 138.15969000 0.00000000 0.14392700 0.00000000 0.00000000 0.00000000 0.00000000 686 0.00000000 687 54.98911700 0.00000000 0.62293800 0.00000000 0.00000000 0.00000000 0.00000000 688 0.00000000 689 23.17066700 0.00000000 0.28396400 0.00000000 0.00000000 0.00000000 0.00000000 690 0.00000000 691 7.37786000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 692 0.00000000 693 2.92368800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 694 0.00000000 695 0.65040500 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 696 0.00000000 697 0.23282500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 698 0.00000000 699 0.06000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 700 1.00000000 701$ P-TYPE FUNCTIONS 702 11 6 0 703 663.06201000 0.00308200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 704 157.09281000 0.02416500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 705 50.23110000 0.10822300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 706 18.63534500 0.29419200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 707 7.44653700 0.68786200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 708 7.44653700 0.00000000 -0.12144820 0.00000000 0.00000000 0.00000000 0.00000000 709 3.09569800 0.00000000 0.16323700 0.00000000 0.00000000 0.00000000 0.00000000 710 1.10646300 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 711 0.41560100 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 712 0.14544900 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 713 0.06000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 714$ D-TYPE FUNCTIONS 715 2 2 0 716 1.70000000 1.00000000 0.00000000 717 0.42500000 0.00000000 1.00000000 718a 19 719$ POTASSIUM (15s,12p,5d) -> [9s,8p,3d] 720$ POTASSIUM (14s,11p,3d)->[8s,7p,1d] 721$ POTASSIUM (2d) 722$ POTASSIUM (1s,1p) 723$ S-TYPE FUNCTIONS 724 15 9 0 725 182594.00000 0.00022775 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 726 0.00000000 0.00000000 0.00000000 727 27369.00000000 0.00176640 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 728 0.00000000 0.00000000 0.00000000 729 6229.17000000 0.00919497 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 730 0.00000000 0.00000000 0.00000000 731 1764.58000000 0.03745510 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 732 0.00000000 0.00000000 0.00000000 733 577.05100000 0.12204500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 734 0.00000000 0.00000000 0.00000000 735 210.24900000 0.29899000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 736 0.00000000 0.00000000 0.00000000 737 82.61780000 0.00000000 0.40514700 0.00000000 0.00000000 0.00000000 0.00000000 738 0.00000000 0.00000000 0.00000000 739 33.23320000 0.00000000 0.29253200 0.00000000 0.00000000 0.00000000 0.00000000 740 0.00000000 0.00000000 0.00000000 741 8.10649000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 742 0.00000000 0.00000000 0.00000000 743 3.33403000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 744 0.00000000 0.00000000 0.00000000 745 0.84554400 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 746 0.00000000 0.00000000 0.00000000 747 0.32821600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 748 0.00000000 0.00000000 0.00000000 749 0.03640350 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 750 1.00000000 0.00000000 0.00000000 751 0.01764630 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 752 0.00000000 1.00000000 0.00000000 753 0.00470000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 754 0.00000000 0.00000000 1.00000000 755$ P-TYPE FUNCTIONS 756 12 8 0 757 891.05400000 0.00218429 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 758 0.00000000 0.00000000 759 211.01600000 0.01758910 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 760 0.00000000 0.00000000 761 67.67140000 0.08177750 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 762 0.00000000 0.00000000 763 25.27150000 0.00000000 0.24565600 0.00000000 0.00000000 0.00000000 0.00000000 764 0.00000000 0.00000000 765 10.13900000 0.00000000 0.43398400 0.00000000 0.00000000 0.00000000 0.00000000 766 0.00000000 0.00000000 767 4.20186000 0.00000000 0.36237700 0.00000000 0.00000000 0.00000000 0.00000000 768 0.00000000 0.00000000 769 1.62507000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 770 0.00000000 0.00000000 771 0.64377000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 772 0.00000000 0.00000000 773 0.24613000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 774 0.00000000 0.00000000 775 0.04544000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 776 0.00000000 0.00000000 777 0.01616000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 778 1.00000000 0.00000000 779 0.00470000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 780 0.00000000 1.00000000 781$ D-TYPE FUNCTIONS 782 5 3 0 783 13.37000000 0.03160160 0.00000000 0.00000000 784 3.42100000 0.15687900 0.00000000 0.00000000 785 1.06300000 0.39058200 0.00000000 0.00000000 786 0.45800000 0.00000000 1.00000000 0.00000000 787 0.11450000 0.00000000 0.00000000 1.00000000 788a 20 789$ CALCIUM (15s,12p,5d) -> [9s,8p,3d] 790$ CALCIUM (14s,11p,3d)->[8s,7p,1d] 791$ CALCIUM (2d) 792$ CALCIUM (1s,1p) 793$ S-TYPE FUNCTIONS 794 15 9 0 795 202699.00000 0.00022296 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 796 0.00000000 0.00000000 0.00000000 797 30382.50000000 0.00172932 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 798 0.00000000 0.00000000 0.00000000 799 6915.08000000 0.00900226 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 800 0.00000000 0.00000000 0.00000000 801 1959.02000000 0.03666990 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 802 0.00000000 0.00000000 0.00000000 803 640.93600000 0.11941000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 804 0.00000000 0.00000000 0.00000000 805 233.97700000 0.29182500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 806 0.00000000 0.00000000 0.00000000 807 92.28920000 0.00000000 0.40441500 0.00000000 0.00000000 0.00000000 0.00000000 808 0.00000000 0.00000000 0.00000000 809 37.25450000 0.00000000 0.29631300 0.00000000 0.00000000 0.00000000 0.00000000 810 0.00000000 0.00000000 0.00000000 811 9.13198000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 812 0.00000000 0.00000000 0.00000000 813 3.81779000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 814 0.00000000 0.00000000 0.00000000 815 1.04935000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 816 0.00000000 0.00000000 0.00000000 817 0.42866000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 818 0.00000000 0.00000000 0.00000000 819 0.06282260 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 820 1.00000000 0.00000000 0.00000000 821 0.02601620 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 822 0.00000000 1.00000000 0.00000000 823 0.00710000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 824 0.00000000 0.00000000 1.00000000 825$ P-TYPE FUNCTIONS 826 12 8 0 827 1019.76000000 0.00205986 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 828 0.00000000 0.00000000 829 241.59600000 0.01665010 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 830 0.00000000 0.00000000 831 77.63700000 0.07776460 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 832 0.00000000 0.00000000 833 29.11540000 0.00000000 0.24180600 0.00000000 0.00000000 0.00000000 0.00000000 834 0.00000000 0.00000000 835 11.76260000 0.00000000 0.43257800 0.00000000 0.00000000 0.00000000 0.00000000 836 0.00000000 0.00000000 837 4.92289000 0.00000000 0.36732500 0.00000000 0.00000000 0.00000000 0.00000000 838 0.00000000 0.00000000 839 1.90645000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 840 0.00000000 0.00000000 841 0.73690000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 842 0.00000000 0.00000000 843 0.27642000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 844 0.00000000 0.00000000 845 0.06027000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 846 0.00000000 0.00000000 847 0.01791000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 848 1.00000000 0.00000000 849 0.00710000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 850 0.00000000 1.00000000 851$ D-TYPE FUNCTIONS 852 5 3 0 853 15.08000000 0.03689470 0.00000000 0.00000000 854 3.92600000 0.17782000 0.00000000 0.00000000 855 1.23300000 0.42551300 0.00000000 0.00000000 856 0.52000000 0.00000000 1.00000000 0.00000000 857 0.13000000 0.00000000 0.00000000 1.00000000 858 859$ END OF BASIS 860 861