/usr/share/ergo/basis/Turbomole-TZ is in ergo 3.5-1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 | $Basis = Turbomole-TZ
$
$ Elements supported
$ H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar
$
$ REFERENCE
$ Elements References
$ -------- ----------
$ H - Kr: A. Schafer, H. Horn and R. Ahlrichs, J. Chem. Phys. 97, 2571 (1992).
$***********************************************************************
a 1
$ HYDROGEN (5s) -> [3s]
$ S-TYPE FUNCTIONS
5 3 0
34.0613410 0.00602520 0.00000000 0.00000000
5.1235746 0.04502109 0.00000000 0.00000000
1.1646626 0.20189726 0.00000000 0.00000000
0.3272304 0.00000000 1.00000000 0.00000000
0.1030724 0.00000000 0.00000000 1.00000000
a 2
$ HELIUM (5s) -> [3s]
$ S-TYPE FUNCTIONS
5 3 0
98.0783216 0.00758031 0.00000000 0.00000000
14.7644042 0.05484862 0.00000000 0.00000000
3.3185831 0.22074382 0.00000000 0.00000000
0.8741387 0.00000000 1.00000000 0.00000000
0.2445990 0.00000000 0.00000000 1.00000000
a 3
$ LITHIUM (10s) -> [6s]
$ S-TYPE FUNCTIONS
10 6 0
3341.4028812 0.00068826 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
500.9515931 0.00532964 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
114.0110311 0.02756437 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
32.2654731 0.10988243 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
10.4720585 0.33943049 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3.6978284 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.3712085 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.5190846 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0745329 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0282336 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
a 4
$ BERYLLIUM (10s) -> [6s]
$ S-TYPE FUNCTIONS
10 6 0
6526.1477796 0.00043732 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
978.3549642 0.00338821 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
222.6586576 0.01756309 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
63.0130283 0.07058048 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
20.4687202 0.22263836 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
7.2692487 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2.7393701 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.0615791 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.1815844 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0588268 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
a 5
$ BORON (10s,6p) -> [6s,3p]
$ S-TYPE FUNCTIONS
10 6 0
5658.4992000 0.00055208 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
848.6970300 0.00426514 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
193.1365600 0.02185317 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
54.5863170 0.08457068 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
17.6001260 0.24304764 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
6.1269618 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2.2245270 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.5565035 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.2387623 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0857940 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
6 3 0
22.4558020 -0.00502606 0.00000000 0.00000000
5.1030675 -0.03282698 0.00000000 0.00000000
1.4984096 -0.13140941 0.00000000 0.00000000
0.5098907 -0.33125264 0.00000000 0.00000000
0.1819135 0.00000000 1.00000000 0.00000000
0.0648272 0.00000000 0.00000000 1.00000000
a 6
$ CARBON (10s,6p) -> [6s,3p]
$ S-TYPE FUNCTIONS
10 6 0
8506.0384000 0.00053374 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1275.7329000 0.00412502 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
290.3118700 0.02117134 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
82.0562000 0.08241786 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
26.4796410 0.24012858 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
9.2414585 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3.3643530 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.8717416 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.3635235 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1287314 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
6 3 0
34.7094960 0.00533010 0.00000000 0.00000000
7.9590883 0.03586581 0.00000000 0.00000000
2.3786972 0.14200299 0.00000000 0.00000000
0.8154007 0.34203105 0.00000000 0.00000000
0.2895378 0.00000000 1.00000000 0.00000000
0.1008475 0.00000000 0.00000000 1.00000000
a 7
$ NITROGEN (10s,6p) -> [6s,3p]
$ S-TYPE FUNCTIONS
10 6 0
11913.4167560 -0.00052297 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1786.7213834 -0.00404284 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
406.5901283 -0.02077272 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
114.9252507 -0.08118314 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
37.1058834 -0.23871497 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
12.9716762 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
4.7302291 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.2525184 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.5126007 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1793971 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
6 3 0
49.2187584 0.00555270 0.00000000 0.00000000
11.3489353 0.03805462 0.00000000 0.00000000
3.4285088 0.14941412 0.00000000 0.00000000
1.1799513 0.34898187 0.00000000 0.00000000
0.4172612 0.00000000 1.00000000 0.00000000
0.1429513 0.00000000 0.00000000 1.00000000
a 8
$ OXYGEN (10s,6p) -> [6s,3p]
$ S-TYPE FUNCTIONS
10 6 0
15902.6474590 0.00051500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2384.9537829 0.00398198 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
542.7195718 0.02047697 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
153.4040787 0.08026237 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
49.5457161 0.23766840 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
17.3396499 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
6.3303355 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.6995882 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.6895449 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.2393603 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
6 3 0
63.2705240 0.00607092 0.00000000 0.00000000
14.6233123 0.04194769 0.00000000 0.00000000
4.4489518 0.16156884 0.00000000 0.00000000
1.5281513 0.35682779 0.00000000 0.00000000
0.5299732 0.00000000 1.00000000 0.00000000
0.1750945 0.00000000 0.00000000 1.00000000
a 9
$ FLUORINE (10s,6p) -> [6s,3p]
$ S-TYPE FUNCTIONS
10 6 0
20450.4890000 0.00051103 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3066.9547000 0.00395188 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
697.9100300 0.02033455 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
197.2702000 0.07987648 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
63.7283430 0.23775601 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
22.3218090 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
8.1557609 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
2.2114295 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.8903857 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.3069660 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
6 3 0
80.2180200 0.00637445 0.00000000 0.00000000
18.5872810 0.04436019 0.00000000 0.00000000
5.6844581 0.16880038 0.00000000 0.00000000
1.9512781 0.36162979 0.00000000 0.00000000
0.6702411 0.00000000 1.00000000 0.00000000
0.2168225 0.00000000 0.00000000 1.00000000
a 10
$ NEON (10s,6p) -> [6s,3p]
$ S-TYPE FUNCTIONS
10 6 0
25558.3983200 -0.00050573 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3832.9404804 -0.00391125 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
872.2107378 -0.02013482 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
246.5375541 -0.07922343 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
79.6583949 -0.23675798 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
27.9197996 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
10.2071317 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
2.7883187 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
1.1153995 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.3823401 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
6 3 0
99.7609664 0.00656487 0.00000000 0.00000000
23.1676890 0.04595815 0.00000000 0.00000000
7.1133899 0.17349981 0.00000000 0.00000000
2.4418574 0.36486075 0.00000000 0.00000000
0.8344206 0.00000000 1.00000000 0.00000000
0.2663988 0.00000000 0.00000000 1.00000000
a 11
$ SODIUM (12s,6p) -> [7s,2p]
$ S-TYPE FUNCTIONS
12 7 0
48876.1981470 0.00030496 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
7327.2863708 0.00236328 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
1667.4194652 0.01226845 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
471.5810120 0.04962518 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
152.9366981 0.15949592 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
54.3558555 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
20.7652228 0.00000000 0.00000000 0.40072046 0.00000000 0.00000000 0.00000000
0.0000000
8.3599496 0.00000000 0.00000000 0.18337373 0.00000000 0.00000000 0.00000000
0.0000000
2.1480946 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000
0.6881941 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000
0.0604771 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000
0.0271341 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000
$ P-TYPE FUNCTIONS
6 2 0
137.9625476 0.00592646 0.00000000
32.2091054 0.04254399 0.00000000
9.9746379 0.16644535 0.00000000
3.4780930 0.36814915 0.00000000
1.2284372 0.45781035 0.00000000
0.4173194 0.00000000 1.00000000
a 12
$ MAGNESIUM (12s,6p) -> [7s,2p]
$ S-TYPE FUNCTIONS
12 7 0
58088.3497780 0.00029218 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
8708.1180998 0.00226442 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
1981.6224182 0.01175604 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
560.4398600 0.04756994 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
181.7297611 0.15308048 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
64.6033357 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
24.7421447 0.00000000 0.00000000 0.39883561 0.00000000 0.00000000 0.00000000
0.0000000
10.0246647 0.00000000 0.00000000 0.18188815 0.00000000 0.00000000 0.00000000
0.0000000
2.6947441 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000
0.9114525 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000
0.1068967 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000
0.0400916 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000
$ P-TYPE FUNCTIONS
6 2 0
179.8337272 0.00538198 0.00000000
42.1130967 0.03932575 0.00000000
13.1173538 0.15749044 0.00000000
4.6229435 0.35940561 0.00000000
1.6685786 0.45516230 0.00000000
0.5854780 0.00000000 0.21970492
a 13
$ ALUMINUM (12s9p) -> [7s5p]
$ S-TYPE FUNCTIONS
12 7 0
68090.4116770 0.00028413 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00
10207.5408220 0.00220207 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00
2322.8045854 0.01143344 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00
656.8865384 0.04628459 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00
212.9669410 0.14910566 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00
75.7247166 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00
29.0763200 0.00000000 0.00000000 0.41663518 0.00000000 0.00000000 0.00000000
0.00
11.8596239 0.00000000 0.00000000 0.18978371 0.00000000 0.00000000 0.00000000
0.00
3.3162153181 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.00
1.1754788791 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.00
.17520528550 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.00
.06475874648 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.00
$ P-TYPE FUNCTIONS
9 5 0
442.79182587 0.00163911 0.00000000 0.00000000 0.00000000 0.00000000
104.75988837 0.01314352 0.00000000 0.00000000 0.00000000 0.00000000
33.375979447 0.06149771 0.00000000 0.00000000 0.00000000 0.00000000
12.305387957 0.18825909 0.00000000 0.00000000 0.00000000 0.00000000
4.8642475706 0.36062611 0.00000000 0.00000000 0.00000000 0.00000000
1.9604027100 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
.78436733817 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
.19014165079 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
.05587437299 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
a 14
$ SILICON (12s,9p) -> [7s,5p]
$ S-TYPE FUNCTIONS
12 7 0
79079.4340000 0.00026431 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
11855.0100000 0.00204851 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
2697.7051000 0.01063724 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
762.8722700 0.04308248 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
247.2845500 0.13898279 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
87.9312400 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
33.8232840 0.00000000 0.00000000 0.44071543 0.00000000 0.00000000 0.00000000
0.0000000
13.8681080 0.00000000 0.00000000 0.20091165 0.00000000 0.00000000 0.00000000
0.0000000
3.9920017 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000
1.4659925 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000
0.2527109 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000
0.0924917 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000
$ P-TYPE FUNCTIONS
9 5 0
483.0235200 0.00191615 0.00000000 0.00000000 0.00000000 0.00000000
114.2508100 0.01530977 0.00000000 0.00000000 0.00000000 0.00000000
36.3877860 0.07109436 0.00000000 0.00000000 0.00000000 0.00000000
13.4117040 0.21243244 0.00000000 0.00000000 0.00000000 0.00000000
5.2884033 0.38976302 0.00000000 0.00000000 0.00000000 0.00000000
2.1374219 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.8646846 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.2548986 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0793970 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
a 15
$ PHOSPHORUS (12s,9p) -> [7s,5p]
$ S-TYPE FUNCTIONS
12 7 0
91049.0495250 0.00025380 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
13649.2488640 0.00196712 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
3105.9432074 0.01021606 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
878.2598263 0.04139916 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
284.6339291 0.13375415 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
101.2061001 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
38.9778414 0.00000000 0.00000000 0.45416113 0.00000000 0.00000000 0.00000000
0.0000000
16.0484941 0.00000000 0.00000000 0.20742198 0.00000000 0.00000000 0.00000000
0.0000000
4.7225339 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000
1.7825222 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000
0.3396297 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000
0.1233386 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000
$ P-TYPE FUNCTIONS
9 5 0
528.4438933 -0.00228152 0.00000000 0.00000000 0.00000000 0.00000000
124.9714995 -0.01818364 0.00000000 0.00000000 0.00000000 0.00000000
39.7957092 -0.08394070 0.00000000 0.00000000 0.00000000 0.00000000
14.6575450 -0.24604714 0.00000000 0.00000000 0.00000000 0.00000000
5.7578893 -0.43655668 0.00000000 0.00000000 0.00000000 0.00000000
2.3123201 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.8899378 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.3046715 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1007815 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
a 16
$ SULFUR (12s,9p) -> [7s,5p]
$ S-TYPE FUNCTIONS
12 7 0
103953.9500000 0.00024743 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
15583.7860000 0.00191777 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
3546.1293000 0.00996100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
1002.6808000 0.04038643 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
324.9028800 0.13067523 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
115.5122500 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
44.5282100 0.00000000 0.00000000 0.50403551 0.00000000 0.00000000 0.00000000
0.0000000
18.3978920 0.00000000 0.00000000 0.23068051 0.00000000 0.00000000 0.00000000
0.0000000
5.5100683 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000
2.1259867 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000
0.4369189 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000
0.1573085 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000
$ P-TYPE FUNCTIONS
9 5 0
606.6936700 0.00232296 0.00000000 0.00000000 0.00000000 0.00000000
143.5069600 0.01857053 0.00000000 0.00000000 0.00000000 0.00000000
45.7461600 0.08603274 0.00000000 0.00000000 0.00000000 0.00000000
16.8729120 0.25248431 0.00000000 0.00000000 0.00000000 0.00000000
6.6399196 0.44632742 0.00000000 0.00000000 0.00000000 0.00000000
2.6727135 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.0000089 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.3543894 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1167131 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
a 17
$ CHLORINE (12s,9p) -> [7s,5p]
$ S-TYPE FUNCTIONS
12 7 0
117805.7900000 0.00024181 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
17660.2650000 0.00187427 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
4018.5973000 0.00973629 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
1136.2231000 0.03949475 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
368.1206200 0.12797166 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
130.8615400 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
50.4790110 0.00000000 0.00000000 0.42874094 0.00000000 0.00000000 0.00000000
0.0000000
20.9168050 0.00000000 0.00000000 0.19668493 0.00000000 0.00000000 0.00000000
0.0000000
6.3531388 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000
2.4948014 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000
0.5433595 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000
0.1943437 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000
$ P-TYPE FUNCTIONS
9 5 0
681.0687900 0.00236589 0.00000000 0.00000000 0.00000000 0.00000000
161.1135900 0.01894072 0.00000000 0.00000000 0.00000000 0.00000000
51.3866370 0.08784513 0.00000000 0.00000000 0.00000000 0.00000000
18.9585120 0.25707435 0.00000000 0.00000000 0.00000000 0.00000000
3.0035158 0.37152361 0.00000000 0.00000000 0.00000000 0.00000000
7.4565293 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.0609361 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.3945202 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1332328 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
a 18
$ ARGON (12s,9p) -> [7s,5p]
$ S-TYPE FUNCTIONS
12 7 0
132594.7425500 0.00025484 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
19877.2100510 0.00197533 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
4523.0525989 0.01026246 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
1278.8031045 0.04164867 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
414.2561894 0.13513377 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
147.2419411 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000
56.8261554 0.00000000 0.00000000 0.45141633 0.00000000 0.00000000 0.00000000
0.0000000
23.6040860 0.00000000 0.00000000 0.20758832 0.00000000 0.00000000 0.00000000
0.0000000
7.2524952 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000
2.8892980 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000
0.6588798 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000
0.2343956 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000
$ P-TYPE FUNCTIONS
9 5 0
828.3396980 0.00217730 0.00000000 0.00000000 0.00000000 0.00000000
196.0651076 0.01759744 0.00000000 0.00000000 0.00000000 0.00000000
62.6812276 0.08290592 0.00000000 0.00000000 0.00000000 0.00000000
23.2250778 0.24934103 0.00000000 0.00000000 0.00000000 0.00000000
9.2167815 0.45327281 0.00000000 0.00000000 0.00000000 0.00000000
3.7595533 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.4316786 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.5129827 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1682149 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$END OF BASIS
|