source: ThirdParty/mpqc_open/lib/basis/pc-4-aug.kv

Candidate_v1.6.1
Last change on this file was 860145, checked in by Frederik Heber <heber@…>, 8 years ago

Merge commit '0b990dfaa8c6007a996d030163a25f7f5fc8a7e7' as 'ThirdParty/mpqc_open'

  • Property mode set to 100644
File size: 27.9 KB
Line 
1basis: (
2 hydrogen: "pc-4-aug": [
3 (type: [am=s]
4 {exp coef:0} = {
5 0.30797e+04 0.23473e-04
6 0.46152e+03 0.18245e-03
7 0.10506e+03 0.95933e-03
8 0.29764e+02 0.40461e-02
9 0.97183e+01 0.14607e-01
10 })
11 (type: [am=s]
12 {exp coef:0} = {
13 0.35179e+01 0.10000e+01
14 })
15 (type: [am=s]
16 {exp coef:0} = {
17 0.13770e+01 0.10000e+01
18 })
19 (type: [am=s]
20 {exp coef:0} = {
21 0.56831e+00 0.10000e+01
22 })
23 (type: [am=s]
24 {exp coef:0} = {
25 0.24341e+00 0.10000e+01
26 })
27 (type: [am=s]
28 {exp coef:0} = {
29 0.10505e+00 0.10000e+01
30 })
31 (type: [am=s]
32 {exp coef:0} = {
33 0.44198e-01 0.10000e+01
34 })
35 (type: [am=p]
36 {exp coef:0} = {
37 0.30000e+02 0.10000e+01
38 })
39 (type: [am=p]
40 {exp coef:0} = {
41 0.66000e+01 0.10000e+01
42 })
43 (type: [am=p]
44 {exp coef:0} = {
45 0.21000e+01 0.10000e+01
46 })
47 (type: [am=p]
48 {exp coef:0} = {
49 0.95000e+00 0.10000e+01
50 })
51 (type: [am=p]
52 {exp coef:0} = {
53 0.45000e+00 0.10000e+01
54 })
55 (type: [am=p]
56 {exp coef:0} = {
57 0.15000e+00 0.10000e+01
58 })
59 (type: [(am=d puream=1)]
60 {exp coef:0} = {
61 0.21000e+01 0.10000e+01
62 })
63 (type: [(am=d puream=1)]
64 {exp coef:0} = {
65 0.70000e+00 0.10000e+01
66 })
67 (type: [(am=d puream=1)]
68 {exp coef:0} = {
69 0.30000e+00 0.10000e+01
70 })
71 (type: [(am=f puream=1)]
72 {exp coef:0} = {
73 0.25000e+01 0.10000e+01
74 })
75 (type: [(am=f puream=1)]
76 {exp coef:0} = {
77 0.90000e+00 0.10000e+01
78 })
79 (type: [(am=g puream=1)]
80 {exp coef:0} = {
81 0.32000e+01 0.10000e+01
82 })
83 (type: [am=s]
84 {exp coef:0} = {
85 0.17131e-01 0.10000e+01
86 })
87 (type: [am=p]
88 {exp coef:0} = {
89 0.51393e-01 0.10000e+01
90 })
91 (type: [(am=d puream=1)]
92 {exp coef:0} = {
93 0.68524e-01 0.10000e+01
94 })
95 (type: [(am=f puream=1)]
96 {exp coef:0} = {
97 0.85656e-01 0.10000e+01
98 })
99 (type: [(am=g puream=1)]
100 {exp coef:0} = {
101 0.10279e+00 0.10000e+01
102 })
103 ]
104 carbon: "pc-4-aug": [
105 (type: [am=s]
106 {exp coef:0} = {
107 0.52778e+06 0.29660e-05
108 0.79105e+05 0.23134e-04
109 0.18006e+05 0.12091e-03
110 0.51008e+04 0.51430e-03
111 0.16647e+04 0.18471e-02
112 0.60166e+03 0.60209e-02
113 0.23540e+03 0.17055e-01
114 0.98263e+02 0.44034e-01
115 0.43269e+02 0.89625e-01
116 0.19858e+02 0.14845e+00
117 0.95692e+01 0.69092e-01
118 })
119 (type: [am=s]
120 {exp coef:0} = {
121 0.16647e+04 0.16830e-04
122 0.60166e+03 0.98080e-05
123 0.23540e+03 0.68920e-03
124 0.98263e+02 0.26428e-02
125 0.43269e+02 0.19725e-01
126 0.19858e+02 0.66280e-01
127 0.95692e+01 0.26732e+00
128 0.49373e+01 0.33642e+00
129 })
130 (type: [am=s]
131 {exp coef:0} = {
132 0.26687e+01 0.10000e+01
133 })
134 (type: [am=s]
135 {exp coef:0} = {
136 0.14674e+01 0.10000e+01
137 })
138 (type: [am=s]
139 {exp coef:0} = {
140 0.63863e+00 0.10000e+01
141 })
142 (type: [am=s]
143 {exp coef:0} = {
144 0.30240e+00 0.10000e+01
145 })
146 (type: [am=s]
147 {exp coef:0} = {
148 0.14116e+00 0.10000e+01
149 })
150 (type: [am=s]
151 {exp coef:0} = {
152 0.63749e-01 0.10000e+01
153 })
154 (type: [am=p]
155 {exp coef:0} = {
156 0.38221e+03 0.97576e-04
157 0.90489e+02 0.85864e-03
158 0.28871e+02 0.47882e-02
159 0.10385e+02 0.20388e-01
160 0.44972e+01 0.50005e-01
161 })
162 (type: [am=p]
163 {exp coef:0} = {
164 0.20274e+01 0.10000e+01
165 })
166 (type: [am=p]
167 {exp coef:0} = {
168 0.95154e+00 0.10000e+01
169 })
170 (type: [am=p]
171 {exp coef:0} = {
172 0.44815e+00 0.10000e+01
173 })
174 (type: [am=p]
175 {exp coef:0} = {
176 0.20721e+00 0.10000e+01
177 })
178 (type: [am=p]
179 {exp coef:0} = {
180 0.94870e-01 0.10000e+01
181 })
182 (type: [am=p]
183 {exp coef:0} = {
184 0.40843e-01 0.10000e+01
185 })
186 (type: [(am=d puream=1)]
187 {exp coef:0} = {
188 0.84000e+01 0.10000e+01
189 })
190 (type: [(am=d puream=1)]
191 {exp coef:0} = {
192 0.30000e+01 0.10000e+01
193 })
194 (type: [(am=d puream=1)]
195 {exp coef:0} = {
196 0.12000e+01 0.10000e+01
197 })
198 (type: [(am=d puream=1)]
199 {exp coef:0} = {
200 0.55000e+00 0.10000e+01
201 })
202 (type: [(am=d puream=1)]
203 {exp coef:0} = {
204 0.25000e+00 0.10000e+01
205 })
206 (type: [(am=d puream=1)]
207 {exp coef:0} = {
208 0.10000e+00 0.10000e+01
209 })
210 (type: [(am=f puream=1)]
211 {exp coef:0} = {
212 0.21000e+01 0.10000e+01
213 })
214 (type: [(am=f puream=1)]
215 {exp coef:0} = {
216 0.90000e+00 0.10000e+01
217 })
218 (type: [(am=f puream=1)]
219 {exp coef:0} = {
220 0.40000e+00 0.10000e+01
221 })
222 (type: [(am=g puream=1)]
223 {exp coef:0} = {
224 0.21000e+01 0.10000e+01
225 })
226 (type: [(am=g puream=1)]
227 {exp coef:0} = {
228 0.90000e+00 0.10000e+01
229 })
230 (type: [(am=h puream=1)]
231 {exp coef:0} = {
232 0.18500e+01 0.10000e+01
233 })
234 (type: [am=s]
235 {exp coef:0} = {
236 0.26452e-01 0.10000e+01
237 })
238 (type: [am=p]
239 {exp coef:0} = {
240 0.16207e-01 0.10000e+01
241 })
242 (type: [(am=d puream=1)]
243 {exp coef:0} = {
244 0.48622e-01 0.10000e+01
245 })
246 (type: [(am=f puream=1)]
247 {exp coef:0} = {
248 0.64830e-01 0.10000e+01
249 })
250 (type: [(am=g puream=1)]
251 {exp coef:0} = {
252 0.81037e-01 0.10000e+01
253 })
254 (type: [(am=h puream=1)]
255 {exp coef:0} = {
256 0.97244e-01 0.10000e+01
257 })
258 ]
259 nitrogen: "pc-4-aug": [
260 (type: [am=s]
261 {exp coef:0} = {
262 0.89476e+06 0.22632e-05
263 0.13483e+06 0.17541e-04
264 0.30808e+05 0.91168e-04
265 0.87515e+04 0.38740e-03
266 0.28620e+04 0.13870e-02
267 0.10353e+04 0.45503e-02
268 0.40473e+03 0.13009e-01
269 0.16833e+03 0.34696e-01
270 0.73695e+02 0.74804e-01
271 0.33753e+02 0.13457e+00
272 0.16157e+02 0.11672e+00
273 })
274 (type: [am=s]
275 {exp coef:0} = {
276 0.28620e+04 0.13703e-04
277 0.10353e+04 -0.14862e-04
278 0.40473e+03 0.48102e-03
279 0.16833e+03 0.15384e-02
280 0.73695e+02 0.13555e-01
281 0.33753e+02 0.47311e-01
282 0.16157e+02 0.20160e+00
283 0.79688e+01 0.40713e+00
284 })
285 (type: [am=s]
286 {exp coef:0} = {
287 0.39521e+01 0.10000e+01
288 })
289 (type: [am=s]
290 {exp coef:0} = {
291 0.19454e+01 0.10000e+01
292 })
293 (type: [am=s]
294 {exp coef:0} = {
295 0.92929e+00 0.10000e+01
296 })
297 (type: [am=s]
298 {exp coef:0} = {
299 0.44085e+00 0.10000e+01
300 })
301 (type: [am=s]
302 {exp coef:0} = {
303 0.20340e+00 0.10000e+01
304 })
305 (type: [am=s]
306 {exp coef:0} = {
307 0.91226e-01 0.10000e+01
308 })
309 (type: [am=p]
310 {exp coef:0} = {
311 0.56623e+03 0.92433e-04
312 0.13410e+03 0.80898e-03
313 0.43013e+02 0.45463e-02
314 0.15612e+02 0.19622e-01
315 0.66427e+01 0.51754e-01
316 })
317 (type: [am=p]
318 {exp coef:0} = {
319 0.29748e+01 0.10000e+01
320 })
321 (type: [am=p]
322 {exp coef:0} = {
323 0.13885e+01 0.10000e+01
324 })
325 (type: [am=p]
326 {exp coef:0} = {
327 0.65012e+00 0.10000e+01
328 })
329 (type: [am=p]
330 {exp coef:0} = {
331 0.30028e+00 0.10000e+01
332 })
333 (type: [am=p]
334 {exp coef:0} = {
335 0.13620e+00 0.10000e+01
336 })
337 (type: [am=p]
338 {exp coef:0} = {
339 0.57845e-01 0.10000e+01
340 })
341 (type: [(am=d puream=1)]
342 {exp coef:0} = {
343 0.12800e+02 0.10000e+01
344 })
345 (type: [(am=d puream=1)]
346 {exp coef:0} = {
347 0.44000e+01 0.10000e+01
348 })
349 (type: [(am=d puream=1)]
350 {exp coef:0} = {
351 0.17500e+01 0.10000e+01
352 })
353 (type: [(am=d puream=1)]
354 {exp coef:0} = {
355 0.80000e+00 0.10000e+01
356 })
357 (type: [(am=d puream=1)]
358 {exp coef:0} = {
359 0.37000e+00 0.10000e+01
360 })
361 (type: [(am=d puream=1)]
362 {exp coef:0} = {
363 0.15000e+00 0.10000e+01
364 })
365 (type: [(am=f puream=1)]
366 {exp coef:0} = {
367 0.23000e+01 0.10000e+01
368 })
369 (type: [(am=f puream=1)]
370 {exp coef:0} = {
371 0.10000e+01 0.10000e+01
372 })
373 (type: [(am=f puream=1)]
374 {exp coef:0} = {
375 0.45000e+00 0.10000e+01
376 })
377 (type: [(am=g puream=1)]
378 {exp coef:0} = {
379 0.25500e+01 0.10000e+01
380 })
381 (type: [(am=g puream=1)]
382 {exp coef:0} = {
383 0.11000e+01 0.10000e+01
384 })
385 (type: [(am=h puream=1)]
386 {exp coef:0} = {
387 0.19500e+01 0.10000e+01
388 })
389 (type: [am=s]
390 {exp coef:0} = {
391 0.37542e-01 0.10000e+01
392 })
393 (type: [am=p]
394 {exp coef:0} = {
395 0.22684e-01 0.10000e+01
396 })
397 (type: [(am=d puream=1)]
398 {exp coef:0} = {
399 0.68053e-01 0.10000e+01
400 })
401 (type: [(am=f puream=1)]
402 {exp coef:0} = {
403 0.90737e-01 0.10000e+01
404 })
405 (type: [(am=g puream=1)]
406 {exp coef:0} = {
407 0.11342e+00 0.10000e+01
408 })
409 (type: [(am=h puream=1)]
410 {exp coef:0} = {
411 0.13611e+00 0.10000e+01
412 })
413 ]
414 oxygen: "pc-4-aug": [
415 (type: [am=s]
416 {exp coef:0} = {
417 0.12597e+07 0.20683e-05
418 0.19011e+06 0.15946e-04
419 0.43449e+05 0.83352e-04
420 0.12342e+05 0.35168e-03
421 0.40350e+04 0.12720e-02
422 0.14597e+04 0.41256e-02
423 0.57066e+03 0.11983e-01
424 0.23750e+03 0.31496e-01
425 0.10411e+03 0.70151e-01
426 0.47581e+02 0.12667e+00
427 0.22546e+02 0.12061e+00
428 })
429 (type: [am=s]
430 {exp coef:0} = {
431 0.40350e+04 0.62153e-05
432 0.14597e+04 0.27247e-04
433 0.57066e+03 0.33552e-03
434 0.23750e+03 0.17960e-02
435 0.10411e+03 0.11237e-01
436 0.47581e+02 0.46776e-01
437 0.22546e+02 0.19054e+00
438 0.11093e+02 0.40519e+00
439 })
440 (type: [am=s]
441 {exp coef:0} = {
442 0.55409e+01 0.10000e+01
443 })
444 (type: [am=s]
445 {exp coef:0} = {
446 0.27794e+01 0.10000e+01
447 })
448 (type: [am=s]
449 {exp coef:0} = {
450 0.12837e+01 0.10000e+01
451 })
452 (type: [am=s]
453 {exp coef:0} = {
454 0.59649e+00 0.10000e+01
455 })
456 (type: [am=s]
457 {exp coef:0} = {
458 0.27057e+00 0.10000e+01
459 })
460 (type: [am=s]
461 {exp coef:0} = {
462 0.12028e+00 0.10000e+01
463 })
464 (type: [am=p]
465 {exp coef:0} = {
466 0.70861e+03 0.10433e-03
467 0.16786e+03 0.91174e-03
468 0.53967e+02 0.50886e-02
469 0.19807e+02 0.21544e-01
470 0.83832e+01 0.58879e-01
471 })
472 (type: [am=p]
473 {exp coef:0} = {
474 0.37447e+01 0.10000e+01
475 })
476 (type: [am=p]
477 {exp coef:0} = {
478 0.17322e+01 0.10000e+01
479 })
480 (type: [am=p]
481 {exp coef:0} = {
482 0.79977e+00 0.10000e+01
483 })
484 (type: [am=p]
485 {exp coef:0} = {
486 0.36323e+00 0.10000e+01
487 })
488 (type: [am=p]
489 {exp coef:0} = {
490 0.15963e+00 0.10000e+01
491 })
492 (type: [am=p]
493 {exp coef:0} = {
494 0.65664e-01 0.10000e+01
495 })
496 (type: [(am=d puream=1)]
497 {exp coef:0} = {
498 0.18200e+02 0.10000e+01
499 })
500 (type: [(am=d puream=1)]
501 {exp coef:0} = {
502 0.60000e+01 0.10000e+01
503 })
504 (type: [(am=d puream=1)]
505 {exp coef:0} = {
506 0.24000e+01 0.10000e+01
507 })
508 (type: [(am=d puream=1)]
509 {exp coef:0} = {
510 0.11000e+01 0.10000e+01
511 })
512 (type: [(am=d puream=1)]
513 {exp coef:0} = {
514 0.50000e+00 0.10000e+01
515 })
516 (type: [(am=d puream=1)]
517 {exp coef:0} = {
518 0.20000e+00 0.10000e+01
519 })
520 (type: [(am=f puream=1)]
521 {exp coef:0} = {
522 0.26000e+01 0.10000e+01
523 })
524 (type: [(am=f puream=1)]
525 {exp coef:0} = {
526 0.11500e+01 0.10000e+01
527 })
528 (type: [(am=f puream=1)]
529 {exp coef:0} = {
530 0.50000e+00 0.10000e+01
531 })
532 (type: [(am=g puream=1)]
533 {exp coef:0} = {
534 0.30500e+01 0.10000e+01
535 })
536 (type: [(am=g puream=1)]
537 {exp coef:0} = {
538 0.13000e+01 0.10000e+01
539 })
540 (type: [(am=h puream=1)]
541 {exp coef:0} = {
542 0.20500e+01 0.10000e+01
543 })
544 (type: [am=s]
545 {exp coef:0} = {
546 0.49094e-01 0.10000e+01
547 })
548 (type: [am=p]
549 {exp coef:0} = {
550 0.24967e-01 0.10000e+01
551 })
552 (type: [(am=d puream=1)]
553 {exp coef:0} = {
554 0.74902e-01 0.10000e+01
555 })
556 (type: [(am=f puream=1)]
557 {exp coef:0} = {
558 0.99870e-01 0.10000e+01
559 })
560 (type: [(am=g puream=1)]
561 {exp coef:0} = {
562 0.12484e+00 0.10000e+01
563 })
564 (type: [(am=h puream=1)]
565 {exp coef:0} = {
566 0.14980e+00 0.10000e+01
567 })
568 ]
569 fluorine: "pc-4-aug": [
570 (type: [am=s]
571 {exp coef:0} = {
572 0.18560e+07 0.17171e-05
573 0.28007e+06 0.13237e-04
574 0.64078e+05 0.69031e-04
575 0.18216e+05 0.29141e-03
576 0.59578e+04 0.10528e-02
577 0.21550e+04 0.34267e-02
578 0.84196e+03 0.99773e-02
579 0.34982e+03 0.26593e-01
580 0.15279e+03 0.60475e-01
581 0.69367e+02 0.11449e+00
582 0.32574e+02 0.11554e+00
583 })
584 (type: [am=s]
585 {exp coef:0} = {
586 0.59578e+04 0.52091e-05
587 0.21550e+04 0.14902e-04
588 0.84196e+03 0.25857e-03
589 0.34982e+03 0.12838e-02
590 0.15279e+03 0.87364e-02
591 0.69367e+02 0.36990e-01
592 0.32574e+02 0.16180e+00
593 0.15889e+02 0.37507e+00
594 })
595 (type: [am=s]
596 {exp coef:0} = {
597 0.78651e+01 0.10000e+01
598 })
599 (type: [am=s]
600 {exp coef:0} = {
601 0.39199e+01 0.10000e+01
602 })
603 (type: [am=s]
604 {exp coef:0} = {
605 0.17861e+01 0.10000e+01
606 })
607 (type: [am=s]
608 {exp coef:0} = {
609 0.82065e+00 0.10000e+01
610 })
611 (type: [am=s]
612 {exp coef:0} = {
613 0.36937e+00 0.10000e+01
614 })
615 (type: [am=s]
616 {exp coef:0} = {
617 0.16198e+00 0.10000e+01
618 })
619 (type: [am=p]
620 {exp coef:0} = {
621 0.91789e+03 0.10430e-03
622 0.21741e+03 0.91436e-03
623 0.69939e+02 0.51142e-02
624 0.25831e+02 0.21545e-01
625 0.10969e+02 0.59682e-01
626 })
627 (type: [am=p]
628 {exp coef:0} = {
629 0.49215e+01 0.10000e+01
630 })
631 (type: [am=p]
632 {exp coef:0} = {
633 0.22839e+01 0.10000e+01
634 })
635 (type: [am=p]
636 {exp coef:0} = {
637 0.10579e+01 0.10000e+01
638 })
639 (type: [am=p]
640 {exp coef:0} = {
641 0.48135e+00 0.10000e+01
642 })
643 (type: [am=p]
644 {exp coef:0} = {
645 0.20902e+00 0.10000e+01
646 })
647 (type: [am=p]
648 {exp coef:0} = {
649 0.85556e-01 0.10000e+01
650 })
651 (type: [(am=d puream=1)]
652 {exp coef:0} = {
653 0.25500e+02 0.10000e+01
654 })
655 (type: [(am=d puream=1)]
656 {exp coef:0} = {
657 0.80000e+01 0.10000e+01
658 })
659 (type: [(am=d puream=1)]
660 {exp coef:0} = {
661 0.32000e+01 0.10000e+01
662 })
663 (type: [(am=d puream=1)]
664 {exp coef:0} = {
665 0.14500e+01 0.10000e+01
666 })
667 (type: [(am=d puream=1)]
668 {exp coef:0} = {
669 0.65000e+00 0.10000e+01
670 })
671 (type: [(am=d puream=1)]
672 {exp coef:0} = {
673 0.25000e+00 0.10000e+01
674 })
675 (type: [(am=f puream=1)]
676 {exp coef:0} = {
677 0.31000e+01 0.10000e+01
678 })
679 (type: [(am=f puream=1)]
680 {exp coef:0} = {
681 0.13500e+01 0.10000e+01
682 })
683 (type: [(am=f puream=1)]
684 {exp coef:0} = {
685 0.60000e+00 0.10000e+01
686 })
687 (type: [(am=g puream=1)]
688 {exp coef:0} = {
689 0.36000e+01 0.10000e+01
690 })
691 (type: [(am=g puream=1)]
692 {exp coef:0} = {
693 0.15500e+01 0.10000e+01
694 })
695 (type: [(am=h puream=1)]
696 {exp coef:0} = {
697 0.21500e+01 0.10000e+01
698 })
699 (type: [am=s]
700 {exp coef:0} = {
701 0.65313e-01 0.10000e+01
702 })
703 (type: [am=p]
704 {exp coef:0} = {
705 0.32408e-01 0.10000e+01
706 })
707 (type: [(am=d puream=1)]
708 {exp coef:0} = {
709 0.97223e-01 0.10000e+01
710 })
711 (type: [(am=f puream=1)]
712 {exp coef:0} = {
713 0.12963e+00 0.10000e+01
714 })
715 (type: [(am=g puream=1)]
716 {exp coef:0} = {
717 0.16204e+00 0.10000e+01
718 })
719 (type: [(am=h puream=1)]
720 {exp coef:0} = {
721 0.19445e+00 0.10000e+01
722 })
723 ]
724 silicon: "pc-4-aug": [
725 (type: [am=s]
726 {exp coef:0} = {
727 0.71901e+06 0.12134e-04
728 0.16999e+06 0.60969e-04
729 0.49400e+05 0.25124e-03
730 0.16385e+05 0.90088e-03
731 0.59854e+04 0.29039e-02
732 0.23541e+04 0.85852e-02
733 0.98140e+03 0.23421e-01
734 0.42890e+03 0.58422e-01
735 0.19454e+03 0.12977e+00
736 0.90777e+02 0.24037e+00
737 0.43715e+02 0.32480e+00
738 0.21491e+02 0.26684e+00
739 0.10669e+02 0.91324e-01
740 0.48882e+01 0.53424e-02
741 })
742 (type: [am=s]
743 {exp coef:0} = {
744 0.23541e+04 0.42175e-05
745 0.98140e+03 0.20469e-04
746 0.42890e+03 0.14261e-03
747 0.19454e+03 0.63795e-03
748 0.90777e+02 0.28664e-02
749 0.43715e+02 0.75695e-02
750 0.21491e+02 0.15473e-01
751 0.10669e+02 -0.15913e-02
752 0.48882e+01 -0.46344e-01
753 0.23361e+01 -0.60218e-01
754 })
755 (type: [am=s]
756 {exp coef:0} = {
757 0.23541e+04 -0.57997e-04
758 0.98140e+03 -0.37736e-03
759 0.42890e+03 -0.21933e-02
760 0.19454e+03 -0.10675e-01
761 0.90777e+02 -0.45499e-01
762 0.43715e+02 -0.12587e+00
763 0.21491e+02 -0.25051e+00
764 0.10669e+02 0.10433e-01
765 0.48882e+01 0.86160e+00
766 0.23361e+01 0.14367e+01
767 0.10967e+01 0.76721e+00
768 })
769 (type: [am=s]
770 {exp coef:0} = {
771 0.42312e+00 0.10000e+01
772 })
773 (type: [am=s]
774 {exp coef:0} = {
775 0.24276e+00 0.10000e+01
776 })
777 (type: [am=s]
778 {exp coef:0} = {
779 0.11703e+00 0.10000e+01
780 })
781 (type: [am=s]
782 {exp coef:0} = {
783 0.52861e-01 0.10000e+01
784 })
785 (type: [am=p]
786 {exp coef:0} = {
787 0.64533e+04 0.21653e-04
788 0.15339e+04 0.19162e-03
789 0.49838e+03 0.11143e-02
790 0.18898e+03 0.50830e-02
791 0.77887e+02 0.19269e-01
792 0.35514e+02 0.53091e-01
793 0.17016e+02 0.12639e+00
794 0.84977e+01 0.22312e+00
795 0.43544e+01 0.29854e+00
796 0.22575e+01 0.28651e+00
797 0.11597e+01 0.17168e+00
798 })
799 (type: [am=p]
800 {exp coef:0} = {
801 0.18898e+03 0.19921e-04
802 0.77887e+02 -0.38970e-04
803 0.35514e+02 0.63327e-04
804 0.17016e+02 -0.14057e-02
805 0.84977e+01 -0.12080e-02
806 0.43544e+01 -0.11390e-01
807 0.22575e+01 0.46079e-02
808 0.11597e+01 -0.57688e-03
809 0.59343e+00 0.13174e+00
810 })
811 (type: [am=p]
812 {exp coef:0} = {
813 0.29012e+00 0.10000e+01
814 })
815 (type: [am=p]
816 {exp coef:0} = {
817 0.13825e+00 0.10000e+01
818 })
819 (type: [am=p]
820 {exp coef:0} = {
821 0.64594e-01 0.10000e+01
822 })
823 (type: [am=p]
824 {exp coef:0} = {
825 0.28354e-01 0.10000e+01
826 })
827 (type: [(am=d puream=1)]
828 {exp coef:0} = {
829 0.19520e+02 0.10000e+01
830 })
831 (type: [(am=d puream=1)]
832 {exp coef:0} = {
833 0.55800e+01 0.10000e+01
834 })
835 (type: [(am=d puream=1)]
836 {exp coef:0} = {
837 0.19200e+01 0.10000e+01
838 })
839 (type: [(am=d puream=1)]
840 {exp coef:0} = {
841 0.69000e+00 0.10000e+01
842 })
843 (type: [(am=d puream=1)]
844 {exp coef:0} = {
845 0.29900e+00 0.10000e+01
846 })
847 (type: [(am=d puream=1)]
848 {exp coef:0} = {
849 0.12500e+00 0.10000e+01
850 })
851 (type: [(am=f puream=1)]
852 {exp coef:0} = {
853 0.26400e+01 0.10000e+01
854 })
855 (type: [(am=f puream=1)]
856 {exp coef:0} = {
857 0.62000e+00 0.10000e+01
858 })
859 (type: [(am=f puream=1)]
860 {exp coef:0} = {
861 0.26000e+00 0.10000e+01
862 })
863 (type: [(am=g puream=1)]
864 {exp coef:0} = {
865 0.13500e+01 0.10000e+01
866 })
867 (type: [(am=g puream=1)]
868 {exp coef:0} = {
869 0.45000e+00 0.10000e+01
870 })
871 (type: [(am=h puream=1)]
872 {exp coef:0} = {
873 0.78000e+00 0.10000e+01
874 })
875 (type: [am=s]
876 {exp coef:0} = {
877 0.21897e-01 0.10000e+01
878 })
879 (type: [am=p]
880 {exp coef:0} = {
881 0.11442e-01 0.10000e+01
882 })
883 (type: [(am=d puream=1)]
884 {exp coef:0} = {
885 0.34326e-01 0.10000e+01
886 })
887 (type: [(am=f puream=1)]
888 {exp coef:0} = {
889 0.45768e-01 0.10000e+01
890 })
891 (type: [(am=g puream=1)]
892 {exp coef:0} = {
893 0.57211e-01 0.10000e+01
894 })
895 (type: [(am=h puream=1)]
896 {exp coef:0} = {
897 0.68653e-01 0.10000e+01
898 })
899 ]
900 phosphorus: "pc-4-aug": [
901 (type: [am=s]
902 {exp coef:0} = {
903 0.82213e+06 0.12207e-04
904 0.19425e+06 0.61440e-04
905 0.56424e+05 0.25322e-03
906 0.18716e+05 0.90752e-03
907 0.68393e+04 0.29230e-02
908 0.26931e+04 0.86138e-02
909 0.11265e+04 0.23329e-01
910 0.49521e+03 0.57641e-01
911 0.22638e+03 0.12694e+00
912 0.10662e+03 0.23408e+00
913 0.51905e+02 0.31805e+00
914 0.25851e+02 0.27002e+00
915 0.13022e+02 0.10197e+00
916 0.60568e+01 0.80899e-02
917 })
918 (type: [am=s]
919 {exp coef:0} = {
920 0.26931e+04 0.36778e-05
921 0.11265e+04 0.16467e-04
922 0.49521e+03 0.11861e-03
923 0.22638e+03 0.50936e-03
924 0.10662e+03 0.22939e-02
925 0.51905e+02 0.59503e-02
926 0.25851e+02 0.12532e-01
927 0.13022e+02 0.34088e-03
928 0.60568e+01 -0.33461e-01
929 0.29574e+01 -0.50380e-01
930 })
931 (type: [am=s]
932 {exp coef:0} = {
933 0.26931e+04 -0.75718e-04
934 0.11265e+04 -0.48033e-03
935 0.49521e+03 -0.27731e-02
936 0.22638e+03 -0.13224e-01
937 0.10662e+03 -0.55695e-01
938 0.51905e+02 -0.15313e+00
939 0.25851e+02 -0.31055e+00
940 0.13022e+02 -0.34248e-01
941 0.60568e+01 0.97684e+00
942 0.29574e+01 0.18179e+01
943 0.14078e+01 0.10730e+01
944 })
945 (type: [am=s]
946 {exp coef:0} = {
947 0.57187e+00 0.10000e+01
948 })
949 (type: [am=s]
950 {exp coef:0} = {
951 0.31078e+00 0.10000e+01
952 })
953 (type: [am=s]
954 {exp coef:0} = {
955 0.14947e+00 0.10000e+01
956 })
957 (type: [am=s]
958 {exp coef:0} = {
959 0.68313e-01 0.10000e+01
960 })
961 (type: [am=p]
962 {exp coef:0} = {
963 0.77486e+04 0.20870e-04
964 0.18336e+04 0.18596e-03
965 0.59555e+03 0.10799e-02
966 0.22661e+03 0.48946e-02
967 0.94191e+02 0.18320e-01
968 0.43332e+02 0.50669e-01
969 0.20907e+02 0.12156e+00
970 0.10502e+02 0.21931e+00
971 0.54255e+01 0.29640e+00
972 0.28818e+01 0.28179e+00
973 0.15284e+01 0.17853e+00
974 })
975 (type: [am=p]
976 {exp coef:0} = {
977 0.22661e+03 0.15973e-04
978 0.94191e+02 -0.47396e-04
979 0.20907e+02 -0.15832e-02
980 0.10502e+02 -0.18117e-02
981 0.54255e+01 -0.13465e-01
982 0.28818e+01 0.61503e-02
983 0.15284e+01 -0.71444e-02
984 0.81081e+00 0.14315e+00
985 })
986 (type: [am=p]
987 {exp coef:0} = {
988 0.39028e+00 0.10000e+01
989 })
990 (type: [am=p]
991 {exp coef:0} = {
992 0.18645e+00 0.10000e+01
993 })
994 (type: [am=p]
995 {exp coef:0} = {
996 0.87567e-01 0.10000e+01
997 })
998 (type: [am=p]
999 {exp coef:0} = {
1000 0.38673e-01 0.10000e+01
1001 })
1002 (type: [(am=d puream=1)]
1003 {exp coef:0} = {
1004 0.21230e+02 0.10000e+01
1005 })
1006 (type: [(am=d puream=1)]
1007 {exp coef:0} = {
1008 0.60700e+01 0.10000e+01
1009 })
1010 (type: [(am=d puream=1)]
1011 {exp coef:0} = {
1012 0.20900e+01 0.10000e+01
1013 })
1014 (type: [(am=d puream=1)]
1015 {exp coef:0} = {
1016 0.75000e+00 0.10000e+01
1017 })
1018 (type: [(am=d puream=1)]
1019 {exp coef:0} = {
1020 0.32500e+00 0.10000e+01
1021 })
1022 (type: [(am=d puream=1)]
1023 {exp coef:0} = {
1024 0.13500e+00 0.10000e+01
1025 })
1026 (type: [(am=f puream=1)]
1027 {exp coef:0} = {
1028 0.31200e+01 0.10000e+01
1029 })
1030 (type: [(am=f puream=1)]
1031 {exp coef:0} = {
1032 0.73000e+00 0.10000e+01
1033 })
1034 (type: [(am=f puream=1)]
1035 {exp coef:0} = {
1036 0.30000e+00 0.10000e+01
1037 })
1038 (type: [(am=g puream=1)]
1039 {exp coef:0} = {
1040 0.15500e+01 0.10000e+01
1041 })
1042 (type: [(am=g puream=1)]
1043 {exp coef:0} = {
1044 0.52000e+00 0.10000e+01
1045 })
1046 (type: [(am=h puream=1)]
1047 {exp coef:0} = {
1048 0.87000e+00 0.10000e+01
1049 })
1050 (type: [am=s]
1051 {exp coef:0} = {
1052 0.28607e-01 0.10000e+01
1053 })
1054 (type: [am=p]
1055 {exp coef:0} = {
1056 0.15693e-01 0.10000e+01
1057 })
1058 (type: [(am=d puream=1)]
1059 {exp coef:0} = {
1060 0.47080e-01 0.10000e+01
1061 })
1062 (type: [(am=f puream=1)]
1063 {exp coef:0} = {
1064 0.62774e-01 0.10000e+01
1065 })
1066 (type: [(am=g puream=1)]
1067 {exp coef:0} = {
1068 0.78467e-01 0.10000e+01
1069 })
1070 (type: [(am=h puream=1)]
1071 {exp coef:0} = {
1072 0.94161e-01 0.10000e+01
1073 })
1074 ]
1075 sulfur: "pc-4-aug": [
1076 (type: [am=s]
1077 {exp coef:0} = {
1078 0.98389e+06 0.11563e-04
1079 0.22977e+06 0.59017e-04
1080 0.66276e+05 0.24474e-03
1081 0.21884e+05 0.88159e-03
1082 0.79696e+04 0.28494e-02
1083 0.31299e+04 0.84273e-02
1084 0.13052e+04 0.22951e-01
1085 0.57170e+03 0.57038e-01
1086 0.26058e+03 0.12616e+00
1087 0.12248e+03 0.23373e+00
1088 0.59518e+02 0.31883e+00
1089 0.29627e+02 0.27098e+00
1090 0.14943e+02 0.10217e+00
1091 0.70479e+01 0.81326e-02
1092 })
1093 (type: [am=s]
1094 {exp coef:0} = {
1095 0.31299e+04 0.34121e-05
1096 0.13052e+04 0.15187e-04
1097 0.57170e+03 0.11093e-03
1098 0.26058e+03 0.47967e-03
1099 0.12248e+03 0.21682e-02
1100 0.59518e+02 0.56908e-02
1101 0.29627e+02 0.11915e-01
1102 0.14943e+02 0.27168e-03
1103 0.70479e+01 -0.30365e-01
1104 0.35040e+01 -0.47588e-01
1105 })
1106 (type: [am=s]
1107 {exp coef:0} = {
1108 0.31299e+04 -0.84316e-04
1109 0.13052e+04 -0.54837e-03
1110 0.57170e+03 -0.31574e-02
1111 0.26058e+03 -0.15292e-01
1112 0.12248e+03 -0.64288e-01
1113 0.59518e+02 -0.17969e+00
1114 0.29627e+02 -0.36055e+00
1115 0.14943e+02 -0.42524e-01
1116 0.70479e+01 0.11075e+01
1117 0.35040e+01 0.20784e+01
1118 0.16997e+01 0.12396e+01
1119 })
1120 (type: [am=s]
1121 {exp coef:0} = {
1122 0.73101e+00 0.10000e+01
1123 })
1124 (type: [am=s]
1125 {exp coef:0} = {
1126 0.37948e+00 0.10000e+01
1127 })
1128 (type: [am=s]
1129 {exp coef:0} = {
1130 0.18185e+00 0.10000e+01
1131 })
1132 (type: [am=s]
1133 {exp coef:0} = {
1134 0.83961e-01 0.10000e+01
1135 })
1136 (type: [am=p]
1137 {exp coef:0} = {
1138 0.93414e+04 0.19493e-04
1139 0.22086e+04 0.17432e-03
1140 0.71627e+03 0.10161e-02
1141 0.27251e+03 0.46172e-02
1142 0.11377e+03 0.17163e-01
1143 0.52571e+02 0.48132e-01
1144 0.25397e+02 0.11704e+00
1145 0.12770e+02 0.21602e+00
1146 0.66224e+01 0.29528e+00
1147 0.35388e+01 0.28825e+00
1148 0.18756e+01 0.17982e+00
1149 })
1150 (type: [am=p]
1151 {exp coef:0} = {
1152 0.27251e+03 0.10626e-04
1153 0.11377e+03 -0.50176e-04
1154 0.52571e+02 -0.78047e-04
1155 0.25397e+02 -0.16188e-02
1156 0.12770e+02 -0.26551e-02
1157 0.66224e+01 -0.13777e-01
1158 0.35388e+01 0.24246e-02
1159 0.18756e+01 0.58572e-03
1160 0.99018e+00 0.16518e+00
1161 })
1162 (type: [am=p]
1163 {exp coef:0} = {
1164 0.47723e+00 0.10000e+01
1165 })
1166 (type: [am=p]
1167 {exp coef:0} = {
1168 0.22692e+00 0.10000e+01
1169 })
1170 (type: [am=p]
1171 {exp coef:0} = {
1172 0.10473e+00 0.10000e+01
1173 })
1174 (type: [am=p]
1175 {exp coef:0} = {
1176 0.45303e-01 0.10000e+01
1177 })
1178 (type: [(am=d puream=1)]
1179 {exp coef:0} = {
1180 0.22930e+02 0.10000e+01
1181 })
1182 (type: [(am=d puream=1)]
1183 {exp coef:0} = {
1184 0.65500e+01 0.10000e+01
1185 })
1186 (type: [(am=d puream=1)]
1187 {exp coef:0} = {
1188 0.22600e+01 0.10000e+01
1189 })
1190 (type: [(am=d puream=1)]
1191 {exp coef:0} = {
1192 0.81000e+00 0.10000e+01
1193 })
1194 (type: [(am=d puream=1)]
1195 {exp coef:0} = {
1196 0.35100e+00 0.10000e+01
1197 })
1198 (type: [(am=d puream=1)]
1199 {exp coef:0} = {
1200 0.14600e+00 0.10000e+01
1201 })
1202 (type: [(am=f puream=1)]
1203 {exp coef:0} = {
1204 0.35900e+01 0.10000e+01
1205 })
1206 (type: [(am=f puream=1)]
1207 {exp coef:0} = {
1208 0.84000e+00 0.10000e+01
1209 })
1210 (type: [(am=f puream=1)]
1211 {exp coef:0} = {
1212 0.35000e+00 0.10000e+01
1213 })
1214 (type: [(am=g puream=1)]
1215 {exp coef:0} = {
1216 0.17600e+01 0.10000e+01
1217 })
1218 (type: [(am=g puream=1)]
1219 {exp coef:0} = {
1220 0.59000e+00 0.10000e+01
1221 })
1222 (type: [(am=h puream=1)]
1223 {exp coef:0} = {
1224 0.95000e+00 0.10000e+01
1225 })
1226 (type: [am=s]
1227 {exp coef:0} = {
1228 0.35487e-01 0.10000e+01
1229 })
1230 (type: [am=p]
1231 {exp coef:0} = {
1232 0.18036e-01 0.10000e+01
1233 })
1234 (type: [(am=d puream=1)]
1235 {exp coef:0} = {
1236 0.54107e-01 0.10000e+01
1237 })
1238 (type: [(am=f puream=1)]
1239 {exp coef:0} = {
1240 0.72142e-01 0.10000e+01
1241 })
1242 (type: [(am=g puream=1)]
1243 {exp coef:0} = {
1244 0.90178e-01 0.10000e+01
1245 })
1246 (type: [(am=h puream=1)]
1247 {exp coef:0} = {
1248 0.10821e+00 0.10000e+01
1249 })
1250 ]
1251 chlorine: "pc-4-aug": [
1252 (type: [am=s]
1253 {exp coef:0} = {
1254 0.11411e+07 0.11243e-04
1255 0.26443e+06 0.58000e-04
1256 0.75791e+05 0.24215e-03
1257 0.24925e+05 0.87550e-03
1258 0.90526e+04 0.28376e-02
1259 0.35481e+04 0.84086e-02
1260 0.14780e+04 0.22906e-01
1261 0.64735e+03 0.56895e-01
1262 0.29533e+03 0.12569e+00
1263 0.13898e+03 0.23327e+00
1264 0.67549e+02 0.31894e+00
1265 0.33661e+02 0.27117e+00
1266 0.17027e+02 0.10247e+00
1267 0.81504e+01 0.83067e-02
1268 })
1269 (type: [am=s]
1270 {exp coef:0} = {
1271 0.35481e+04 0.58169e-05
1272 0.14780e+04 0.26634e-04
1273 0.64735e+03 0.19172e-03
1274 0.29533e+03 0.83597e-03
1275 0.13898e+03 0.37502e-02
1276 0.67549e+02 0.99495e-02
1277 0.33661e+02 0.20640e-01
1278 0.17027e+02 0.52063e-03
1279 0.81504e+01 -0.50048e-01
1280 0.41319e+01 -0.83332e-01
1281 })
1282 (type: [am=s]
1283 {exp coef:0} = {
1284 0.35481e+04 -0.58469e-04
1285 0.14780e+04 -0.37803e-03
1286 0.64735e+03 -0.21881e-02
1287 0.29533e+03 -0.10582e-01
1288 0.13898e+03 -0.44410e-01
1289 0.67549e+02 -0.12491e+00
1290 0.33661e+02 -0.24877e+00
1291 0.17027e+02 -0.29947e-01
1292 0.81504e+01 0.72881e+00
1293 0.41319e+01 0.13743e+01
1294 0.20457e+01 0.78685e+00
1295 })
1296 (type: [am=s]
1297 {exp coef:0} = {
1298 0.94029e+00 0.10000e+01
1299 })
1300 (type: [am=s]
1301 {exp coef:0} = {
1302 0.46901e+00 0.10000e+01
1303 })
1304 (type: [am=s]
1305 {exp coef:0} = {
1306 0.22219e+00 0.10000e+01
1307 })
1308 (type: [am=s]
1309 {exp coef:0} = {
1310 0.10220e+00 0.10000e+01
1311 })
1312 (type: [am=p]
1313 {exp coef:0} = {
1314 0.11035e+05 0.18514e-04
1315 0.26115e+04 0.16527e-03
1316 0.84802e+03 0.96233e-03
1317 0.32300e+03 0.43777e-02
1318 0.13533e+03 0.16218e-01
1319 0.62684e+02 0.46104e-01
1320 0.30298e+02 0.11348e+00
1321 0.15240e+02 0.21353e+00
1322 0.79259e+01 0.29438e+00
1323 0.42853e+01 0.28778e+00
1324 0.23043e+01 0.18269e+00
1325 })
1326 (type: [am=p]
1327 {exp coef:0} = {
1328 0.32300e+03 0.92007e-05
1329 0.13533e+03 -0.51118e-04
1330 0.62684e+02 -0.10597e-03
1331 0.30298e+02 -0.16689e-02
1332 0.15240e+02 -0.30998e-02
1333 0.79259e+01 -0.14628e-01
1334 0.42853e+01 0.12345e-02
1335 0.23043e+01 0.15315e-02
1336 0.12357e+01 0.16993e+00
1337 })
1338 (type: [am=p]
1339 {exp coef:0} = {
1340 0.60021e+00 0.10000e+01
1341 })
1342 (type: [am=p]
1343 {exp coef:0} = {
1344 0.28739e+00 0.10000e+01
1345 })
1346 (type: [am=p]
1347 {exp coef:0} = {
1348 0.13185e+00 0.10000e+01
1349 })
1350 (type: [am=p]
1351 {exp coef:0} = {
1352 0.56970e-01 0.10000e+01
1353 })
1354 (type: [(am=d puream=1)]
1355 {exp coef:0} = {
1356 0.24630e+02 0.10000e+01
1357 })
1358 (type: [(am=d puream=1)]
1359 {exp coef:0} = {
1360 0.70400e+01 0.10000e+01
1361 })
1362 (type: [(am=d puream=1)]
1363 {exp coef:0} = {
1364 0.24300e+01 0.10000e+01
1365 })
1366 (type: [(am=d puream=1)]
1367 {exp coef:0} = {
1368 0.87000e+00 0.10000e+01
1369 })
1370 (type: [(am=d puream=1)]
1371 {exp coef:0} = {
1372 0.37700e+00 0.10000e+01
1373 })
1374 (type: [(am=d puream=1)]
1375 {exp coef:0} = {
1376 0.15700e+00 0.10000e+01
1377 })
1378 (type: [(am=f puream=1)]
1379 {exp coef:0} = {
1380 0.40600e+01 0.10000e+01
1381 })
1382 (type: [(am=f puream=1)]
1383 {exp coef:0} = {
1384 0.95000e+00 0.10000e+01
1385 })
1386 (type: [(am=f puream=1)]
1387 {exp coef:0} = {
1388 0.39000e+00 0.10000e+01
1389 })
1390 (type: [(am=g puream=1)]
1391 {exp coef:0} = {
1392 0.19700e+01 0.10000e+01
1393 })
1394 (type: [(am=g puream=1)]
1395 {exp coef:0} = {
1396 0.66000e+00 0.10000e+01
1397 })
1398 (type: [(am=h puream=1)]
1399 {exp coef:0} = {
1400 0.10400e+01 0.10000e+01
1401 })
1402 (type: [am=s]
1403 {exp coef:0} = {
1404 0.43046e-01 0.10000e+01
1405 })
1406 (type: [am=p]
1407 {exp coef:0} = {
1408 0.22657e-01 0.10000e+01
1409 })
1410 (type: [(am=d puream=1)]
1411 {exp coef:0} = {
1412 0.67972e-01 0.10000e+01
1413 })
1414 (type: [(am=f puream=1)]
1415 {exp coef:0} = {
1416 0.90629e-01 0.10000e+01
1417 })
1418 (type: [(am=g puream=1)]
1419 {exp coef:0} = {
1420 0.11329e+00 0.10000e+01
1421 })
1422 (type: [(am=h puream=1)]
1423 {exp coef:0} = {
1424 0.13594e+00 0.10000e+01
1425 })
1426 ]
1427)
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