/usr/share/ergo/basis/pV7Z is in ergo 3.5-1+b1.
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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 | $ Basis = pV7Z
$
$Supported Elements
$ H C N O F S
$
$Elements References
$-------- ----------
$H: D. Feller
$C - F, S: D. Feller and K.A. Peterson, J. Chem. Phys. 110, 8384 (1999)
$ D. Feller and J.A. Sordo, J. Chem. Phys. 113, 485 (2000)
$ and Ed Valeev (k function exponents)
$Ne K. A. Peterson (to be published)
$
************************************************************************
a 1
$ HYDROGEN (14s,6p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
$ S-TYPE FUNCTIONS
14 7 0
2762.51614000 0.00002200 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
1211.85844000 0.00000600 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
531.61712000 0.00009440 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
233.20938600 0.00017940 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
102.30411300 0.00058450 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
44.87868890 0.00155910 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
19.68734840 0.00438830 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
8.63643073 0.01208630 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3.78862274 0.03253030 1.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
1.66199008 0.08405800 0.00000000 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000
0.72908052 0.19342470 0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000
0.31983248 0.35106410 0.00000000 0.00000000 0.00000000 1.00000000
0.00000000 0.00000000
0.14030386 0.35878220 0.00000000 0.00000000 0.00000000 0.00000000
1.00000000 0.00000000
0.06154839 0.10608990 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000
$ P-TYPE FUNCTIONS
6 6 0
8.15364800 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3.86227500 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.82950800 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.86661400 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.41050300 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.19445000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
5 5 0
6.03483300 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3.05695800 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.54850900 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.78440100 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.39734000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ F-TYPE FUNCTIONS
4 4 0
5.89474000 1.00000000 0.00000000 0.00000000 0.00000000
2.90294000 0.00000000 1.00000000 0.00000000 0.00000000
1.42959000 0.00000000 0.00000000 1.00000000 0.00000000
0.70402000 0.00000000 0.00000000 0.00000000 1.00000000
$ G-TYPE FUNCTIONS
3 3 0
4.62267400 1.00000000 0.00000000 0.00000000
2.17112600 0.00000000 1.00000000 0.00000000
1.01971000 0.00000000 0.00000000 1.00000000
$ H-TYPE FUNCTIONS
2 2 0
4.22370600 1.00000000 0.00000000
1.70506000 0.00000000 1.00000000
$ I-TYPE FUNCTIONS
1 1 0
3.41400000 1.00000000
a 6
$ CARBON (18s,12p,6d,5f,4g,3h,2i,1k) -> [8s,7p,6d,5f,4g,3h,
$ S-TYPE FUNCTIONS
18 8 0
949028.80000 0.00000140 -0.00000030 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
142083.00000 0.00001100 -0.00000230 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
32332.47000 0.00005780 -0.00001230 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
9158.11700000 0.00024440 -0.00005200 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
2987.90900000 0.00089100 -0.00019000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
1078.78800000 0.00290400 -0.00062000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
420.83080000 0.00863100 -0.00185500 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
174.60030000 0.02352900 -0.00509200 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
76.18292000 0.05816100 -0.01291600 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
34.63588000 0.12662400 -0.02923000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
16.27076000 0.23046500 -0.05841400 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
7.85547900 0.31929700 -0.09665500 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
3.88217200 0.27429500 -0.12606400 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
1.92833400 0.10225200 -0.06172200 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000
0.83580600 0.00786200 0.18882800 0.00000000 0.00000000 1.00000000
0.00000000 0.00000000 0.00000000
0.38629100 0.00000680 0.44611600 0.00000000 0.00000000 0.00000000
1.00000000 0.00000000 0.00000000
0.17686000 0.00036900 0.41133500 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.08025200 -0.00001240 0.10655200 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
12 7 0
765.45530000 0.00002720 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
180.86280000 0.00024100 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
58.71441000 0.00135700 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
22.41625000 0.00562000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
9.40621400 0.01826700 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
4.18719800 0.05001900 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
1.95587600 0.11640800 1.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
0.94533600 0.21446600 0.00000000 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000
0.46276300 0.30116800 0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000
0.22679600 0.30804500 0.00000000 0.00000000 0.00000000 1.00000000
0.00000000 0.00000000
0.11059200 0.18847500 0.00000000 0.00000000 0.00000000 0.00000000
1.00000000 0.00000000
0.05240000 0.03962200 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000
$ D-TYPE FUNCTIONS
6 6 0
8.00280000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3.66630000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.67960000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.76950000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.35250000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.16150000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ F-TYPE FUNCTIONS
5 5 0
3.51340000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.82140000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.94430000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.48960000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.25380000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ G-TYPE FUNCTIONS
4 4 0
3.03630000 1.00000000 0.00000000 0.00000000 0.00000000
1.67130000 0.00000000 1.00000000 0.00000000 0.00000000
0.92000000 0.00000000 0.00000000 1.00000000 0.00000000
0.50640000 0.00000000 0.00000000 0.00000000 1.00000000
$ H-TYPE FUNCTIONS
3 3 0
1.82730000 1.00000000 0.00000000 0.00000000
0.89990000 0.00000000 1.00000000 0.00000000
0.44320000 0.00000000 0.00000000 1.00000000
$ I-TYPE FUNCTIONS
2 2 0
3.28020000 1.00000000 0.00000000
0.67770000 0.00000000 1.00000000
$ K-TYPE FUNCTIONS
1 1 0
1.9560000 1.00000000
a 7
$ NITROGEN (18s,12p,6d,5f,4g,3h,2i,1k) -> [8s,7p,6d,5f,4g,3h,
$ S-TYPE FUNCTIONS
18 8 0
1296296.0000 0.00000140 -0.00000031 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
194068.60000 0.00001100 -0.00000243 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
44160.57000 0.00005800 -0.00001279 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
12507.72000 0.00024500 -0.00005399 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
4080.47600000 0.00089300 -0.00019730 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
1473.14000000 0.00291300 -0.00064320 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
574.60660000 0.00866400 -0.00192640 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
238.37000000 0.02363500 -0.00529480 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
103.99360000 0.05851800 -0.01345880 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
47.27944000 0.12772870 -0.03061290 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
22.21871000 0.23287370 -0.06151130 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
10.73569000 0.32111700 -0.10200550 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
5.30885600 0.27131670 -0.12950140 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
2.63917700 0.09853080 -0.05370320 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000
1.16576400 0.00788860 0.20297650 0.00000000 0.00000000 1.00000000
0.00000000 0.00000000 0.00000000
0.53709100 0.00031250 0.44857470 0.00000000 0.00000000 0.00000000
1.00000000 0.00000000 0.00000000
0.24490400 0.00036400 0.40031386 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.11027100 0.00007270 0.10245292 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
12 7 0
1094.96000000 0.00002760 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
258.66110000 0.00024500 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
83.85255000 0.00139200 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
31.96225000 0.00585900 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
13.41121000 0.01941300 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
5.98547100 0.05359980 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
2.80363000 0.12319560 1.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
1.35573600 0.22156900 0.00000000 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000
0.66239600 0.30240950 0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000
0.32291200 0.30098640 0.00000000 0.00000000 0.00000000 1.00000000
0.00000000 0.00000000
0.15592100 0.18179180 0.00000000 0.00000000 0.00000000 0.00000000
1.00000000 0.00000000
0.07282000 0.03874200 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000
$ D-TYPE FUNCTIONS
6 6 0
8.59142980 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
4.03353510 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.89367850 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.88905090 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.41739480 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.19596000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ F-TYPE FUNCTIONS
5 5 0
5.73890020 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2.77241560 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.33933120 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.64701990 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.31257000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ G-TYPE FUNCTIONS
4 4 0
5.53680240 1.00000000 0.00000000 0.00000000 0.00000000
2.58729080 0.00000000 1.00000000 0.00000000 0.00000000
1.20901440 0.00000000 0.00000000 1.00000000 0.00000000
0.56496000 0.00000000 0.00000000 0.00000000 1.00000000
$ H-TYPE FUNCTIONS
3 3 0
4.21812880 1.00000000 0.00000000 0.00000000
2.08714940 0.00000000 1.00000000 0.00000000
1.03273000 0.00000000 0.00000000 1.00000000
$ I-TYPE FUNCTIONS
2 2 0
3.45000000 1.00000000 0.00000000
1.58000000 0.00000000 1.00000000
$ K-TYPE FUNCTIONS
1 1 0
2.3790000 1.00000000
a 8
$ OXYGEN (18s,12p,6d,5f,4g,3h,2i,1k) -> [8s,7p,6d,5f,4g,3h,
$ S-TYPE FUNCTIONS
18 8 0
1678789.0000 0.00000140 -0.00000030 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
251388.20000 0.00001120 -0.00000250 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
57213.73000 0.00005890 -0.00001340 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
16207.44000 0.00024900 -0.00005600 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
5288.27600000 0.00090700 -0.00020600 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
1909.47800000 0.00295700 -0.00067200 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
744.92310000 0.00879100 -0.00201300 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
309.07550000 0.02398000 -0.00553500 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
134.86450000 0.05938100 -0.01407900 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
61.33129000 0.12965000 -0.03211300 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
28.83796000 0.23606400 -0.06467600 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
13.94504000 0.32292100 -0.10715400 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
6.89907700 0.26739500 -0.13243800 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
3.43157700 0.09384400 -0.04565500 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000
1.53984000 0.00753300 0.21838400 0.00000000 0.00000000 1.00000000
0.00000000 0.00000000 0.00000000
0.70975100 0.00063200 0.45337900 0.00000000 0.00000000 0.00000000
1.00000000 0.00000000 0.00000000
0.32304700 0.00035600 0.38735300 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.14422200 0.00003300 0.09586600 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
12 7 0
1349.05900000 0.00003230 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
319.45690000 0.00028600 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
103.78040000 0.00161600 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
39.62821000 0.00678500 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
16.66137000 0.02249900 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
7.46416600 0.06167400 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
3.50932500 0.13684500 1.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
1.69568000 0.23248600 0.00000000 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000
0.82274200 0.29982100 0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000
0.39573300 0.28824400 0.00000000 0.00000000 0.00000000 1.00000000
0.00000000 0.00000000
0.18764400 0.17455500 0.00000000 0.00000000 0.00000000 0.00000000
1.00000000 0.00000000
0.08584100 0.03872700 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000
$ D-TYPE FUNCTIONS
6 6 0
10.06429300 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
4.84325940 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2.33073120 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.12162230 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.53976050 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.25975000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ F-TYPE FUNCTIONS
5 5 0
6.91170870 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3.41994490 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.69220430 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.83731040 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.41430500 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ G-TYPE FUNCTIONS
4 4 0
7.23799490 1.00000000 0.00000000 0.00000000 0.00000000
3.41575980 0.00000000 1.00000000 0.00000000 0.00000000
1.61196780 0.00000000 0.00000000 1.00000000 0.00000000
0.76072100 0.00000000 0.00000000 0.00000000 1.00000000
$ H-TYPE FUNCTIONS
3 3 0
5.73310920 1.00000000 0.00000000 0.00000000
2.58248160 0.00000000 1.00000000 0.00000000
1.16328000 0.00000000 0.00000000 1.00000000
$ I-TYPE FUNCTIONS
2 2 0
4.81300000 1.00000000 0.00000000
2.07800000 0.00000000 1.00000000
$ K-TYPE FUNCTIONS
1 1 0
3.1230000 1.00000000
a 9
$ FLUORINE (18s,12p,6d,5f,4g,3h,2i,1k) -> [8s,7p,6d,5f,4g,3h,
$ S-TYPE FUNCTIONS
18 8 0
2115112.0000 0.00000150 -0.00000034 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
316699.70000 0.00001130 -0.00000262 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
72075.71000 0.00005950 -0.00001378 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
20416.83000 0.00025140 -0.00005817 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
6661.45800000 0.00091600 -0.00021242 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
2405.18800000 0.00298600 -0.00069281 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
938.25950000 0.00888190 -0.00207460 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
389.27100000 0.02423210 -0.00570974 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
169.84990000 0.06003010 -0.01453560 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
77.24367000 0.13113550 -0.03323500 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
36.32874000 0.23856320 -0.06706620 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
17.57387000 0.32430750 -0.11098400 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
8.69353000 0.26437630 -0.13414569 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
4.32176900 0.09028430 -0.03874090 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000
1.95952000 0.00725830 0.22972655 0.00000000 0.00000000 1.00000000
0.00000000 0.00000000 0.00000000
0.90318500 0.00082880 0.45572753 0.00000000 0.00000000 0.00000000
1.00000000 0.00000000 0.00000000
0.41040500 0.00034960 0.37782222 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.18202400 0.00004950 0.09134515 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
12 7 0
1687.71800000 0.00003460 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
399.65170000 0.00030580 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
129.82670000 0.00173130 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
49.57826000 0.00729750 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
20.86193000 0.02431260 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
9.36556400 0.06643410 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
4.40997700 0.14451750 1.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000
2.12837600 0.23838670 0.00000000 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000
1.02828800 0.29853300 0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000
0.49075700 0.28114140 0.00000000 0.00000000 0.00000000 1.00000000
0.00000000 0.00000000
0.23007300 0.16997810 0.00000000 0.00000000 0.00000000 0.00000000
1.00000000 0.00000000
0.10376600 0.03858190 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000
$ D-TYPE FUNCTIONS
6 6 0
12.63449500 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
6.11247920 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2.95717430 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.43066000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.69214320 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.33485400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ F-TYPE FUNCTIONS
5 5 0
11.64432400 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
5.57144690 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
2.66576410 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
1.27548520 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.61028000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ G-TYPE FUNCTIONS
4 4 0
8.28639530 1.00000000 0.00000000 0.00000000 0.00000000
3.91052160 0.00000000 1.00000000 0.00000000 0.00000000
1.84545620 0.00000000 0.00000000 1.00000000 0.00000000
0.87090900 0.00000000 0.00000000 0.00000000 1.00000000
$ H-TYPE FUNCTIONS
3 3 0
7.76269690 1.00000000 0.00000000 0.00000000
3.48103000 0.00000000 1.00000000 0.00000000
1.56100000 0.00000000 0.00000000 1.00000000
$ I-TYPE FUNCTIONS
2 2 0
5.53000000 1.00000000 0.00000000
2.16000000 0.00000000 1.00000000
$ K-TYPE FUNCTIONS
1 1 0
4.2520000 1.00000000
a 16
$ SULFUR (27s,18p,6d,5f,4g,3h,2i) -> [9s,8p,6d,5f,4g,3h,2i]
$ S-TYPE FUNCTIONS
27 9 0
7010036.0000 0.00000144 0.00000040 -0.00000012 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
3489316.1000 -0.00000084 -0.00000023 0.00000007 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
1736842.2000 0.00000487 0.00000134 -0.00000039 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
864530.73000 0.00000324 0.00000090 -0.00000026 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
430328.89000 0.00001677 0.00000462 -0.00000135 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
214200.54000 0.00003101 0.00000859 -0.00000246 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
106620.48000 0.00008299 0.00002287 -0.00000670 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
53071.41800 0.00018998 0.00005262 -0.00001514 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
26416.83300 0.00046151 0.00012735 -0.00003725 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
13149.24500 0.00109453 0.00030346 -0.00008752 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
6545.16920000 0.00260899 0.00072242 -0.00021103 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
3257.92390000 0.00617574 0.00172202 -0.00049767 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
1621.66450000 0.01445889 0.00405412 -0.00118409 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
807.19984000 0.03317485 0.00947568 -0.00274744 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
401.79186000 0.07281164 0.02142544 -0.00628040 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
199.99595000 0.14722397 0.04619495 -0.01351581 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
99.54999800 0.25414432 0.08991402 -0.02681891 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
49.55201500 0.32475053 0.14633296 -0.04427986 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
24.66501500 0.23087468 0.14901478 -0.04765514 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
12.27726000 0.05943019 -0.01618619 0.00691916 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
6.11112980 0.00385230 -0.34468164 0.12757185 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
3.04187650 0.00075199 -0.52421828 0.28824893 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000
1.51412470 0.00009617 -0.23896904 0.23272097 0.00000000 1.00000000
0.00000000 0.00000000 0.00000000 0.00000000
0.75367082 -0.00004848 -0.01729755 -0.17946048 0.00000000 0.00000000
1.00000000 0.00000000 0.00000000 0.00000000
0.37514725 0.00000591 -0.00329758 -0.51838584 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000 0.00000000
0.18673332 -0.00001635 0.00047299 -0.42853809 0.00000000 0.00000000
0.00000000 0.00000000 1.00000000 0.00000000
0.09294839 0.00000155 -0.00033072 -0.12549471 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
18 8 0
9780.02620000 0.00001440 0.00000365 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
4800.63720000 0.00001477 0.00000384 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
2356.44750000 0.00010012 0.00002528 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
1156.68910000 0.00029000 0.00007447 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
567.77400000 0.00104158 0.00026448 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
278.69833000 0.00340378 0.00087332 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
136.80225000 0.01084117 0.00277783 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
67.15094300 0.03194232 0.00829274 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
32.96180500 0.08489476 0.02235852 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
16.17967700 0.18567412 0.05026191 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
7.94197890 0.30467902 0.08432212 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
3.89841080 0.34545154 0.10275513 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
1.91357930 0.20219233 0.04394066 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
0.93930221 0.03827089 -0.15166213 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000
0.46106719 0.00327420 -0.34553064 0.00000000 0.00000000 1.00000000
0.00000000 0.00000000 0.00000000
0.22632008 0.00015021 -0.38491544 0.00000000 0.00000000 0.00000000
1.00000000 0.00000000 0.00000000
0.11109179 0.00047904 -0.23270520 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.05453067 -0.00003182 -0.05285254 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
6 6 0
8.11574690 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3.65953330 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.65014800 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.74408080 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.33551910 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.15129150 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ F-TYPE FUNCTIONS
5 5 0
1.73214830 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.77709660 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.34863010 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.15640650 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.07016890 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ G-TYPE FUNCTIONS
4 4 0
1.59998680 1.00000000 0.00000000 0.00000000 0.00000000
0.98098520 0.00000000 1.00000000 0.00000000 0.00000000
0.60146240 0.00000000 0.00000000 1.00000000 0.00000000
0.36876910 0.00000000 0.00000000 0.00000000 1.00000000
$ H-TYPE FUNCTIONS
3 3 0
1.53475710 1.00000000 0.00000000 0.00000000
0.91572620 0.00000000 1.00000000 0.00000000
0.54637600 0.00000000 0.00000000 1.00000000
$ I-TYPE FUNCTIONS
2 2 0
1.50000000 1.00000000 0.00000000
0.75700000 0.00000000 1.00000000
$ K-TYPE FUNCTIONS
1 1 0
1.20900000 1.00000000
|