source: ThirdParty/mpqc_open/lib/basis/pc-3.kv@ 7516f6

Action_Thermostats Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision
Last change on this file since 7516f6 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: 17.9 KB
Line 
1basis: (
2 hydrogen: "pc-3": [
3 (type: [am=s]
4 {exp coef:0} = {
5 0.77469e+03 0.13163e-03
6 0.11616e+03 0.10226e-02
7 0.26449e+02 0.53629e-02
8 0.75015e+01 0.22285e-01
9 0.24568e+01 0.75374e-01
10 })
11 (type: [am=s]
12 {exp coef:0} = {
13 0.88774e+00 0.10000e+01
14 })
15 (type: [am=s]
16 {exp coef:0} = {
17 0.34085e+00 0.10000e+01
18 })
19 (type: [am=s]
20 {exp coef:0} = {
21 0.13477e+00 0.10000e+01
22 })
23 (type: [am=s]
24 {exp coef:0} = {
25 0.52263e-01 0.10000e+01
26 })
27 (type: [am=p]
28 {exp coef:0} = {
29 0.65000e+01 0.10000e+01
30 })
31 (type: [am=p]
32 {exp coef:0} = {
33 0.15500e+01 0.10000e+01
34 })
35 (type: [am=p]
36 {exp coef:0} = {
37 0.55000e+00 0.10000e+01
38 })
39 (type: [am=p]
40 {exp coef:0} = {
41 0.20000e+00 0.10000e+01
42 })
43 (type: [(am=d puream=1)]
44 {exp coef:0} = {
45 0.19500e+01 0.10000e+01
46 })
47 (type: [(am=d puream=1)]
48 {exp coef:0} = {
49 0.65000e+00 0.10000e+01
50 })
51 (type: [(am=f puream=1)]
52 {exp coef:0} = {
53 0.22000e+01 0.10000e+01
54 })
55 ]
56 carbon: "pc-3": [
57 (type: [am=s]
58 {exp coef:0} = {
59 0.87141e+05 0.28180e-04
60 0.13052e+05 0.21825e-03
61 0.29706e+04 0.11508e-02
62 0.84146e+03 0.47884e-02
63 0.27459e+03 0.17126e-01
64 0.99215e+02 0.51160e-01
65 0.38694e+02 0.12794e+00
66 0.15911e+02 0.22811e+00
67 0.67668e+01 0.24690e+00
68 })
69 (type: [am=s]
70 {exp coef:0} = {
71 0.84146e+03 0.11375e-03
72 0.27459e+03 0.27554e-03
73 0.99215e+02 0.50008e-02
74 0.38694e+02 0.22297e-01
75 0.15911e+02 0.14027e+00
76 0.67668e+01 0.41571e+00
77 0.28984e+01 0.82977e+00
78 })
79 (type: [am=s]
80 {exp coef:0} = {
81 0.11246e+01 0.10000e+01
82 })
83 (type: [am=s]
84 {exp coef:0} = {
85 0.51446e+00 0.10000e+01
86 })
87 (type: [am=s]
88 {exp coef:0} = {
89 0.21176e+00 0.10000e+01
90 })
91 (type: [am=s]
92 {exp coef:0} = {
93 0.85017e-01 0.10000e+01
94 })
95 (type: [am=p]
96 {exp coef:0} = {
97 0.14824e+03 0.50719e-03
98 0.34912e+02 0.41794e-02
99 0.10894e+02 0.21293e-01
100 0.41934e+01 0.62269e-01
101 0.17134e+01 0.16415e+00
102 })
103 (type: [am=p]
104 {exp coef:0} = {
105 0.73566e+00 0.10000e+01
106 })
107 (type: [am=p]
108 {exp coef:0} = {
109 0.31637e+00 0.10000e+01
110 })
111 (type: [am=p]
112 {exp coef:0} = {
113 0.13242e+00 0.10000e+01
114 })
115 (type: [am=p]
116 {exp coef:0} = {
117 0.51901e-01 0.10000e+01
118 })
119 (type: [(am=d puream=1)]
120 {exp coef:0} = {
121 0.52000e+01 0.10000e+01
122 })
123 (type: [(am=d puream=1)]
124 {exp coef:0} = {
125 0.13500e+01 0.10000e+01
126 })
127 (type: [(am=d puream=1)]
128 {exp coef:0} = {
129 0.52000e+00 0.10000e+01
130 })
131 (type: [(am=d puream=1)]
132 {exp coef:0} = {
133 0.20000e+00 0.10000e+01
134 })
135 (type: [(am=f puream=1)]
136 {exp coef:0} = {
137 0.15000e+01 0.10000e+01
138 })
139 (type: [(am=f puream=1)]
140 {exp coef:0} = {
141 0.65000e+00 0.10000e+01
142 })
143 (type: [(am=g puream=1)]
144 {exp coef:0} = {
145 0.14000e+01 0.10000e+01
146 })
147 ]
148 nitrogen: "pc-3": [
149 (type: [am=s]
150 {exp coef:0} = {
151 0.12455e+06 0.26672e-04
152 0.18656e+05 0.20684e-03
153 0.42451e+04 0.10893e-02
154 0.12021e+04 0.45463e-02
155 0.39214e+03 0.16237e-01
156 0.14158e+03 0.48957e-01
157 0.55136e+02 0.12317e+00
158 0.22643e+02 0.22425e+00
159 0.96566e+01 0.23876e+00
160 })
161 (type: [am=s]
162 {exp coef:0} = {
163 0.12021e+04 0.81439e-04
164 0.39214e+03 0.32439e-03
165 0.14158e+03 0.43621e-02
166 0.55136e+02 0.22838e-01
167 0.22643e+02 0.13462e+00
168 0.96566e+01 0.42501e+00
169 0.41685e+01 0.82517e+00
170 })
171 (type: [am=s]
172 {exp coef:0} = {
173 0.16678e+01 0.10000e+01
174 })
175 (type: [am=s]
176 {exp coef:0} = {
177 0.74574e+00 0.10000e+01
178 })
179 (type: [am=s]
180 {exp coef:0} = {
181 0.30516e+00 0.10000e+01
182 })
183 (type: [am=s]
184 {exp coef:0} = {
185 0.12089e+00 0.10000e+01
186 })
187 (type: [am=p]
188 {exp coef:0} = {
189 0.21829e+03 0.48281e-03
190 0.51488e+02 0.40420e-02
191 0.16130e+02 0.20946e-01
192 0.61307e+01 0.64757e-01
193 0.25052e+01 0.17042e+00
194 })
195 (type: [am=p]
196 {exp coef:0} = {
197 0.10730e+01 0.10000e+01
198 })
199 (type: [am=p]
200 {exp coef:0} = {
201 0.45838e+00 0.10000e+01
202 })
203 (type: [am=p]
204 {exp coef:0} = {
205 0.18948e+00 0.10000e+01
206 })
207 (type: [am=p]
208 {exp coef:0} = {
209 0.73359e-01 0.10000e+01
210 })
211 (type: [(am=d puream=1)]
212 {exp coef:0} = {
213 0.60000e+01 0.10000e+01
214 })
215 (type: [(am=d puream=1)]
216 {exp coef:0} = {
217 0.16500e+01 0.10000e+01
218 })
219 (type: [(am=d puream=1)]
220 {exp coef:0} = {
221 0.65000e+00 0.10000e+01
222 })
223 (type: [(am=d puream=1)]
224 {exp coef:0} = {
225 0.25000e+00 0.10000e+01
226 })
227 (type: [(am=f puream=1)]
228 {exp coef:0} = {
229 0.18000e+01 0.10000e+01
230 })
231 (type: [(am=f puream=1)]
232 {exp coef:0} = {
233 0.77000e+00 0.10000e+01
234 })
235 (type: [(am=g puream=1)]
236 {exp coef:0} = {
237 0.15000e+01 0.10000e+01
238 })
239 ]
240 oxygen: "pc-3": [
241 (type: [am=s]
242 {exp coef:0} = {
243 0.16403e+06 0.26520e-04
244 0.24567e+05 0.20574e-03
245 0.55910e+04 0.10826e-02
246 0.15836e+04 0.45202e-02
247 0.51667e+03 0.16132e-01
248 0.18656e+03 0.48733e-01
249 0.72696e+02 0.12262e+00
250 0.29992e+02 0.22209e+00
251 0.12899e+02 0.23890e+00
252 })
253 (type: [am=s]
254 {exp coef:0} = {
255 0.15836e+04 0.75682e-04
256 0.51667e+03 0.35568e-03
257 0.18656e+03 0.43918e-02
258 0.72696e+02 0.23820e-01
259 0.29992e+02 0.13830e+00
260 0.12899e+02 0.43028e+00
261 0.56135e+01 0.85179e+00
262 })
263 (type: [am=s]
264 {exp coef:0} = {
265 0.22986e+01 0.10000e+01
266 })
267 (type: [am=s]
268 {exp coef:0} = {
269 0.99980e+00 0.10000e+01
270 })
271 (type: [am=s]
272 {exp coef:0} = {
273 0.40746e+00 0.10000e+01
274 })
275 (type: [am=s]
276 {exp coef:0} = {
277 0.15922e+00 0.10000e+01
278 })
279 (type: [am=p]
280 {exp coef:0} = {
281 0.27202e+03 0.54881e-03
282 0.64243e+02 0.45733e-02
283 0.20249e+02 0.23534e-01
284 0.76438e+01 0.74362e-01
285 0.31232e+01 0.18659e+00
286 })
287 (type: [am=p]
288 {exp coef:0} = {
289 0.13251e+01 0.10000e+01
290 })
291 (type: [am=p]
292 {exp coef:0} = {
293 0.55551e+00 0.10000e+01
294 })
295 (type: [am=p]
296 {exp coef:0} = {
297 0.22229e+00 0.10000e+01
298 })
299 (type: [am=p]
300 {exp coef:0} = {
301 0.84010e-01 0.10000e+01
302 })
303 (type: [(am=d puream=1)]
304 {exp coef:0} = {
305 0.70000e+01 0.10000e+01
306 })
307 (type: [(am=d puream=1)]
308 {exp coef:0} = {
309 0.20000e+01 0.10000e+01
310 })
311 (type: [(am=d puream=1)]
312 {exp coef:0} = {
313 0.80000e+00 0.10000e+01
314 })
315 (type: [(am=d puream=1)]
316 {exp coef:0} = {
317 0.30000e+00 0.10000e+01
318 })
319 (type: [(am=f puream=1)]
320 {exp coef:0} = {
321 0.21000e+01 0.10000e+01
322 })
323 (type: [(am=f puream=1)]
324 {exp coef:0} = {
325 0.90000e+00 0.10000e+01
326 })
327 (type: [(am=g puream=1)]
328 {exp coef:0} = {
329 0.16000e+01 0.10000e+01
330 })
331 ]
332 fluorine: "pc-3": [
333 (type: [am=s]
334 {exp coef:0} = {
335 0.21566e+06 0.25377e-04
336 0.32299e+05 0.19695e-03
337 0.73504e+04 0.10359e-02
338 0.20818e+04 0.43300e-02
339 0.67909e+03 0.15459e-01
340 0.24510e+03 0.46915e-01
341 0.95462e+02 0.11877e+00
342 0.39422e+02 0.21727e+00
343 0.17018e+02 0.23687e+00
344 })
345 (type: [am=s]
346 {exp coef:0} = {
347 0.20818e+04 0.65619e-04
348 0.67909e+03 0.35364e-03
349 0.24510e+03 0.41021e-02
350 0.95462e+02 0.23212e-01
351 0.39422e+02 0.13371e+00
352 0.17018e+02 0.42345e+00
353 0.74525e+01 0.86202e+00
354 })
355 (type: [am=s]
356 {exp coef:0} = {
357 0.31329e+01 0.10000e+01
358 })
359 (type: [am=s]
360 {exp coef:0} = {
361 0.13395e+01 0.10000e+01
362 })
363 (type: [am=s]
364 {exp coef:0} = {
365 0.54218e+00 0.10000e+01
366 })
367 (type: [am=s]
368 {exp coef:0} = {
369 0.20904e+00 0.10000e+01
370 })
371 (type: [am=p]
372 {exp coef:0} = {
373 0.35122e+03 0.55257e-03
374 0.82978e+02 0.46211e-02
375 0.26267e+02 0.23794e-01
376 0.99307e+01 0.76241e-01
377 0.40670e+01 0.18912e+00
378 })
379 (type: [am=p]
380 {exp coef:0} = {
381 0.17246e+01 0.10000e+01
382 })
383 (type: [am=p]
384 {exp coef:0} = {
385 0.71976e+00 0.10000e+01
386 })
387 (type: [am=p]
388 {exp coef:0} = {
389 0.28624e+00 0.10000e+01
390 })
391 (type: [am=p]
392 {exp coef:0} = {
393 0.10789e+00 0.10000e+01
394 })
395 (type: [(am=d puream=1)]
396 {exp coef:0} = {
397 0.84000e+01 0.10000e+01
398 })
399 (type: [(am=d puream=1)]
400 {exp coef:0} = {
401 0.26000e+01 0.10000e+01
402 })
403 (type: [(am=d puream=1)]
404 {exp coef:0} = {
405 0.10000e+01 0.10000e+01
406 })
407 (type: [(am=d puream=1)]
408 {exp coef:0} = {
409 0.35000e+00 0.10000e+01
410 })
411 (type: [(am=f puream=1)]
412 {exp coef:0} = {
413 0.26000e+01 0.10000e+01
414 })
415 (type: [(am=f puream=1)]
416 {exp coef:0} = {
417 0.10500e+01 0.10000e+01
418 })
419 (type: [(am=g puream=1)]
420 {exp coef:0} = {
421 0.17000e+01 0.10000e+01
422 })
423 ]
424 silicon: "pc-3": [
425 (type: [am=s]
426 {exp coef:0} = {
427 0.91848e+06 0.12650e-04
428 0.13759e+06 0.98336e-04
429 0.31289e+05 0.51783e-03
430 0.88507e+04 0.21853e-02
431 0.28819e+04 0.79183e-02
432 0.10381e+04 0.25222e-01
433 0.40397e+03 0.70531e-01
434 0.16697e+03 0.16612e+00
435 0.72202e+02 0.30560e+00
436 0.32334e+02 0.35748e+00
437 0.14771e+02 0.19583e+00
438 0.59240e+01 0.23686e-01
439 })
440 (type: [am=s]
441 {exp coef:0} = {
442 0.88507e+04 -0.40074e-05
443 0.28819e+04 -0.55577e-05
444 0.10381e+04 -0.15833e-03
445 0.40397e+03 -0.68701e-03
446 0.16697e+03 -0.51741e-02
447 0.72202e+02 -0.19323e-01
448 0.32334e+02 -0.60309e-01
449 0.14771e+02 -0.51880e-01
450 0.59240e+01 0.17152e+00
451 0.26285e+01 0.30338e+00
452 })
453 (type: [am=s]
454 {exp coef:0} = {
455 0.10381e+04 0.93287e-05
456 0.40397e+03 0.67519e-04
457 0.16697e+03 0.40170e-03
458 0.72202e+02 0.18138e-02
459 0.32334e+02 0.55784e-02
460 0.14771e+02 0.69224e-02
461 0.59240e+01 -0.26192e-01
462 0.26285e+01 -0.12508e+00
463 0.11360e+01 -0.17545e+00
464 })
465 (type: [am=s]
466 {exp coef:0} = {
467 0.35611e+00 0.10000e+01
468 })
469 (type: [am=s]
470 {exp coef:0} = {
471 0.16384e+00 0.10000e+01
472 })
473 (type: [am=s]
474 {exp coef:0} = {
475 0.68062e-01 0.10000e+01
476 })
477 (type: [am=p]
478 {exp coef:0} = {
479 0.25529e+04 0.10925e-03
480 0.60606e+03 0.95808e-03
481 0.19555e+03 0.54477e-02
482 0.72844e+02 0.23607e-01
483 0.30401e+02 0.72280e-01
484 0.13565e+02 0.17561e+00
485 0.62479e+01 0.30405e+00
486 0.28977e+01 0.35739e+00
487 0.13321e+01 0.23612e+00
488 })
489 (type: [am=p]
490 {exp coef:0} = {
491 0.60606e+03 0.62893e-05
492 0.19555e+03 -0.38321e-05
493 0.72844e+02 0.10549e-03
494 0.30401e+02 -0.41779e-03
495 0.13565e+02 -0.51137e-03
496 0.62479e+01 -0.70295e-02
497 0.28977e+01 -0.43975e-02
498 0.13321e+01 0.51784e-02
499 0.58716e+00 0.13923e+00
500 })
501 (type: [am=p]
502 {exp coef:0} = {
503 0.26362e+00 0.10000e+01
504 })
505 (type: [am=p]
506 {exp coef:0} = {
507 0.10828e+00 0.10000e+01
508 })
509 (type: [am=p]
510 {exp coef:0} = {
511 0.41189e-01 0.10000e+01
512 })
513 (type: [(am=d puream=1)]
514 {exp coef:0} = {
515 0.66600e+01 0.10000e+01
516 })
517 (type: [(am=d puream=1)]
518 {exp coef:0} = {
519 0.17500e+01 0.10000e+01
520 })
521 (type: [(am=d puream=1)]
522 {exp coef:0} = {
523 0.52000e+00 0.10000e+01
524 })
525 (type: [(am=d puream=1)]
526 {exp coef:0} = {
527 0.19000e+00 0.10000e+01
528 })
529 (type: [(am=f puream=1)]
530 {exp coef:0} = {
531 0.11500e+01 0.10000e+01
532 })
533 (type: [(am=f puream=1)]
534 {exp coef:0} = {
535 0.38000e+00 0.10000e+01
536 })
537 (type: [(am=g puream=1)]
538 {exp coef:0} = {
539 0.65000e+00 0.10000e+01
540 })
541 ]
542 phosphorus: "pc-3": [
543 (type: [am=s]
544 {exp coef:0} = {
545 0.10637e+07 0.12509e-04
546 0.16000e+06 0.96671e-04
547 0.36513e+05 0.50682e-03
548 0.10359e+05 0.21310e-02
549 0.33828e+04 0.76925e-02
550 0.12223e+04 0.24421e-01
551 0.47730e+03 0.68122e-01
552 0.19809e+03 0.16069e+00
553 0.85994e+02 0.29867e+00
554 0.38627e+02 0.35878e+00
555 0.17688e+02 0.20616e+00
556 0.72551e+01 0.27386e-01
557 })
558 (type: [am=s]
559 {exp coef:0} = {
560 0.10359e+05 -0.34502e-05
561 0.33828e+04 -0.53427e-05
562 0.12223e+04 -0.13814e-03
563 0.47730e+03 -0.60882e-03
564 0.19809e+03 -0.45064e-02
565 0.85994e+02 -0.17071e-01
566 0.38627e+02 -0.53954e-01
567 0.17688e+02 -0.51494e-01
568 0.72551e+01 0.13758e+00
569 0.32699e+01 0.27525e+00
570 })
571 (type: [am=s]
572 {exp coef:0} = {
573 0.12223e+04 0.15801e-04
574 0.47730e+03 0.11353e-03
575 0.19809e+03 0.67329e-03
576 0.85994e+02 0.30314e-02
577 0.38627e+02 0.92292e-02
578 0.17688e+02 0.11936e-01
579 0.72551e+01 -0.35725e-01
580 0.32699e+01 -0.15875e+00
581 0.14313e+01 -0.21236e+00
582 })
583 (type: [am=s]
584 {exp coef:0} = {
585 0.47047e+00 0.10000e+01
586 })
587 (type: [am=s]
588 {exp coef:0} = {
589 0.21289e+00 0.10000e+01
590 })
591 (type: [am=s]
592 {exp coef:0} = {
593 0.87742e-01 0.10000e+01
594 })
595 (type: [am=p]
596 {exp coef:0} = {
597 0.27622e+04 0.12618e-03
598 0.65478e+03 0.11048e-02
599 0.21258e+03 0.61483e-02
600 0.79895e+02 0.26307e-01
601 0.33366e+02 0.79866e-01
602 0.14986e+02 0.18840e+00
603 0.69680e+01 0.31362e+00
604 0.32818e+01 0.35326e+00
605 0.15247e+01 0.21366e+00
606 })
607 (type: [am=p]
608 {exp coef:0} = {
609 0.65478e+03 0.59592e-05
610 0.21258e+03 -0.68086e-05
611 0.79895e+02 0.74513e-04
612 0.33366e+02 -0.60664e-03
613 0.14986e+02 -0.12604e-02
614 0.69680e+01 -0.94719e-02
615 0.32818e+01 -0.44014e-02
616 0.15247e+01 0.12466e-01
617 0.66924e+00 0.21343e+00
618 })
619 (type: [am=p]
620 {exp coef:0} = {
621 0.29929e+00 0.10000e+01
622 })
623 (type: [am=p]
624 {exp coef:0} = {
625 0.12811e+00 0.10000e+01
626 })
627 (type: [am=p]
628 {exp coef:0} = {
629 0.50992e-01 0.10000e+01
630 })
631 (type: [(am=d puream=1)]
632 {exp coef:0} = {
633 0.77100e+01 0.10000e+01
634 })
635 (type: [(am=d puream=1)]
636 {exp coef:0} = {
637 0.20300e+01 0.10000e+01
638 })
639 (type: [(am=d puream=1)]
640 {exp coef:0} = {
641 0.60000e+00 0.10000e+01
642 })
643 (type: [(am=d puream=1)]
644 {exp coef:0} = {
645 0.22000e+00 0.10000e+01
646 })
647 (type: [(am=f puream=1)]
648 {exp coef:0} = {
649 0.13400e+01 0.10000e+01
650 })
651 (type: [(am=f puream=1)]
652 {exp coef:0} = {
653 0.45000e+00 0.10000e+01
654 })
655 (type: [(am=g puream=1)]
656 {exp coef:0} = {
657 0.72000e+00 0.10000e+01
658 })
659 ]
660 sulfur: "pc-3": [
661 (type: [am=s]
662 {exp coef:0} = {
663 0.12504e+07 0.12023e-04
664 0.18808e+06 0.92935e-04
665 0.42918e+05 0.48720e-03
666 0.12179e+05 0.20479e-02
667 0.39787e+04 0.73897e-02
668 0.14381e+04 0.23481e-01
669 0.56167e+03 0.65685e-01
670 0.23311e+03 0.15597e+00
671 0.10122e+03 0.29322e+00
672 0.45493e+02 0.36011e+00
673 0.20847e+02 0.21506e+00
674 0.86492e+01 0.30782e-01
675 })
676 (type: [am=s]
677 {exp coef:0} = {
678 0.12179e+05 -0.30383e-05
679 0.39787e+04 -0.46456e-05
680 0.14381e+04 -0.12316e-03
681 0.56167e+03 -0.54723e-03
682 0.23311e+03 -0.40702e-02
683 0.10122e+03 -0.15652e-01
684 0.45493e+02 -0.50309e-01
685 0.20847e+02 -0.51517e-01
686 0.86492e+01 0.11823e+00
687 0.39456e+01 0.25628e+00
688 })
689 (type: [am=s]
690 {exp coef:0} = {
691 0.14381e+04 0.19556e-04
692 0.56167e+03 0.14386e-03
693 0.23311e+03 0.84419e-03
694 0.10122e+03 0.38621e-02
695 0.45493e+02 0.11813e-01
696 0.20847e+02 0.16114e-01
697 0.86492e+01 -0.41492e-01
698 0.39456e+01 -0.18517e+00
699 0.17472e+01 -0.23963e+00
700 })
701 (type: [am=s]
702 {exp coef:0} = {
703 0.59953e+00 0.10000e+01
704 })
705 (type: [am=s]
706 {exp coef:0} = {
707 0.27127e+00 0.10000e+01
708 })
709 (type: [am=s]
710 {exp coef:0} = {
711 0.11080e+00 0.10000e+01
712 })
713 (type: [am=p]
714 {exp coef:0} = {
715 0.32858e+04 0.12062e-03
716 0.77893e+03 0.10587e-02
717 0.25276e+03 0.59191e-02
718 0.95100e+02 0.25405e-01
719 0.39820e+02 0.77859e-01
720 0.17925e+02 0.18578e+00
721 0.83699e+01 0.31347e+00
722 0.39655e+01 0.35718e+00
723 0.18540e+01 0.21179e+00
724 })
725 (type: [am=p]
726 {exp coef:0} = {
727 0.77893e+03 0.42397e-05
728 0.25276e+03 -0.74333e-05
729 0.95100e+02 0.27726e-04
730 0.39820e+02 -0.65028e-03
731 0.17925e+02 -0.18933e-02
732 0.83699e+01 -0.10191e-01
733 0.39655e+01 -0.76291e-02
734 0.18540e+01 0.21032e-01
735 0.81971e+00 0.24347e+00
736 })
737 (type: [am=p]
738 {exp coef:0} = {
739 0.36117e+00 0.10000e+01
740 })
741 (type: [am=p]
742 {exp coef:0} = {
743 0.15097e+00 0.10000e+01
744 })
745 (type: [am=p]
746 {exp coef:0} = {
747 0.59620e-01 0.10000e+01
748 })
749 (type: [(am=d puream=1)]
750 {exp coef:0} = {
751 0.87600e+01 0.10000e+01
752 })
753 (type: [(am=d puream=1)]
754 {exp coef:0} = {
755 0.23000e+01 0.10000e+01
756 })
757 (type: [(am=d puream=1)]
758 {exp coef:0} = {
759 0.68000e+00 0.10000e+01
760 })
761 (type: [(am=d puream=1)]
762 {exp coef:0} = {
763 0.25000e+00 0.10000e+01
764 })
765 (type: [(am=f puream=1)]
766 {exp coef:0} = {
767 0.15300e+01 0.10000e+01
768 })
769 (type: [(am=f puream=1)]
770 {exp coef:0} = {
771 0.51000e+00 0.10000e+01
772 })
773 (type: [(am=g puream=1)]
774 {exp coef:0} = {
775 0.79000e+00 0.10000e+01
776 })
777 ]
778 chlorine: "pc-3": [
779 (type: [am=s]
780 {exp coef:0} = {
781 0.14611e+07 0.11534e-04
782 0.21959e+06 0.89235e-04
783 0.50085e+05 0.46811e-03
784 0.14206e+05 0.19692e-02
785 0.46389e+04 0.71112e-02
786 0.16763e+04 0.22625e-01
787 0.65451e+03 0.63488e-01
788 0.27153e+03 0.15173e+00
789 0.11787e+03 0.28826e+00
790 0.52984e+02 0.36113e+00
791 0.24292e+02 0.22303e+00
792 0.10184e+02 0.34031e-01
793 })
794 (type: [am=s]
795 {exp coef:0} = {
796 0.14206e+05 -0.27093e-05
797 0.46389e+04 -0.43191e-05
798 0.16763e+04 -0.10907e-03
799 0.65451e+03 -0.48853e-03
800 0.27153e+03 -0.36327e-02
801 0.11787e+03 -0.14142e-01
802 0.52984e+02 -0.46167e-01
803 0.24292e+02 -0.50107e-01
804 0.10184e+02 0.99999e-01
805 0.46928e+01 0.23750e+00
806 })
807 (type: [am=s]
808 {exp coef:0} = {
809 0.46389e+04 0.28740e-05
810 0.16763e+04 0.24949e-04
811 0.65451e+03 0.18272e-03
812 0.27153e+03 0.10821e-02
813 0.11787e+03 0.49846e-02
814 0.52984e+02 0.15414e-01
815 0.24292e+02 0.21774e-01
816 0.10184e+02 -0.48881e-01
817 0.46928e+01 -0.21808e+00
818 0.20974e+01 -0.27412e+00
819 })
820 (type: [am=s]
821 {exp coef:0} = {
822 0.74867e+00 0.10000e+01
823 })
824 (type: [am=s]
825 {exp coef:0} = {
826 0.33613e+00 0.10000e+01
827 })
828 (type: [am=s]
829 {exp coef:0} = {
830 0.13573e+00 0.10000e+01
831 })
832 (type: [am=p]
833 {exp coef:0} = {
834 0.38457e+04 0.11653e-03
835 0.91123e+03 0.10250e-02
836 0.29564e+03 0.57481e-02
837 0.11140e+03 0.24700e-01
838 0.46767e+02 0.76263e-01
839 0.21106e+02 0.18343e+00
840 0.99058e+01 0.31219e+00
841 0.47347e+01 0.35836e+00
842 0.22364e+01 0.21176e+00
843 })
844 (type: [am=p]
845 {exp coef:0} = {
846 0.91123e+03 0.35761e-05
847 0.29564e+03 -0.77768e-05
848 0.11140e+03 0.67666e-05
849 0.46767e+02 -0.69394e-03
850 0.21106e+02 -0.22563e-02
851 0.99058e+01 -0.11018e-01
852 0.47347e+01 -0.93663e-02
853 0.22364e+01 0.25171e-01
854 0.10071e+01 0.25574e+00
855 })
856 (type: [am=p]
857 {exp coef:0} = {
858 0.44369e+00 0.10000e+01
859 })
860 (type: [am=p]
861 {exp coef:0} = {
862 0.18488e+00 0.10000e+01
863 })
864 (type: [am=p]
865 {exp coef:0} = {
866 0.73268e-01 0.10000e+01
867 })
868 (type: [(am=d puream=1)]
869 {exp coef:0} = {
870 0.98100e+01 0.10000e+01
871 })
872 (type: [(am=d puream=1)]
873 {exp coef:0} = {
874 0.25800e+01 0.10000e+01
875 })
876 (type: [(am=d puream=1)]
877 {exp coef:0} = {
878 0.76000e+00 0.10000e+01
879 })
880 (type: [(am=d puream=1)]
881 {exp coef:0} = {
882 0.28000e+00 0.10000e+01
883 })
884 (type: [(am=f puream=1)]
885 {exp coef:0} = {
886 0.17200e+01 0.10000e+01
887 })
888 (type: [(am=f puream=1)]
889 {exp coef:0} = {
890 0.57000e+00 0.10000e+01
891 })
892 (type: [(am=g puream=1)]
893 {exp coef:0} = {
894 0.86000e+00 0.10000e+01
895 })
896 ]
897)
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