source: ThirdParty/mpqc_open/lib/basis/cc-pcv5z.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: 24.1 KB
Line 
1%BASIS "cc-pCV5Z" CARTESIAN
2basis:(
3%Elements References
4%-------- ----------
5%H : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
6%He : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).
7%Li : Unofficial set from D. Feller.
8%B - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
9%Na - Mg: Unofficial set from D. Feller.
10%Al - Ar: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
11%Ca : J. Koput and K.A. Peterson, J. Phys. Chem. A, 106, 9595 (2002).
12%Elements References
13%-------- ----------
14% B - Na: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989) and D. E. Woon and
15% T.H. Dunning, Jr. J. Chem. Phys. 103, 4572 (1995).
16%Ca : J. Koput and K.A. Peterson, J. Phys. Chem. A, 106, 9595 (2002).
17%
18%
19% BASIS SET: (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
20% AUGMENTING FUNCTIONS: Tight (s,p,d,f,g)
21 boron: "cc-pCV5Z": [
22 (type: [am = s am = s]
23 {exp coef:0 coef:1} = {
24 68260.000000 0.24000000000E-04 -0.50000000000E-05
25 10230.000000 0.18500000000E-03 -0.37000000000E-04
26 2328.0000000 0.97000000000E-03 -0.19600000000E-03
27 660.40000000 0.40560000000E-02 -0.82400000000E-03
28 216.20000000 0.14399000000E-01 -0.29230000000E-02
29 78.600000000 0.43901000000E-01 -0.91380000000E-02
30 30.980000000 0.11305700000 -0.24105000000E-01
31 12.960000000 0.23382500000 -0.54755000000E-01
32 5.6590000000 0.35396000000 -0.96943000000E-01
33 2.5560000000 0.30154700000 -0.13748500000
34 })
35 (type: [am = s]
36 {exp coef:0} = {
37 1.1750000000 1.0000000000
38 })
39 (type: [am = s]
40 {exp coef:0} = {
41 0.42490000000 1.0000000000
42 })
43 (type: [am = s]
44 {exp coef:0} = {
45 0.17120000000 1.0000000000
46 })
47 (type: [am = s]
48 {exp coef:0} = {
49 0.69130000000E-01 1.0000000000
50 })
51 (type: [am = s]
52 {exp coef:0} = {
53 6.4110000000 1.0000000000
54 })
55 (type: [am = s]
56 {exp coef:0} = {
57 14.521000000 1.0000000000
58 })
59 (type: [am = s]
60 {exp coef:0} = {
61 32.890000000 1.0000000000
62 })
63 (type: [am = s]
64 {exp coef:0} = {
65 74.496000000 1.0000000000
66 })
67 (type: [am = p]
68 {exp coef:0} = {
69 66.440000000 0.83800000000E-03
70 15.710000000 0.64090000000E-02
71 4.9360000000 0.28081000000E-01
72 1.7700000000 0.92152000000E-01
73 })
74 (type: [am = p]
75 {exp coef:0} = {
76 0.70080000000 1.0000000000
77 })
78 (type: [am = p]
79 {exp coef:0} = {
80 0.29010000000 1.0000000000
81 })
82 (type: [am = p]
83 {exp coef:0} = {
84 0.12110000000 1.0000000000
85 })
86 (type: [am = p]
87 {exp coef:0} = {
88 0.49730000000E-01 1.0000000000
89 })
90 (type: [am = p]
91 {exp coef:0} = {
92 5.1720000000 1.0000000000
93 })
94 (type: [am = p]
95 {exp coef:0} = {
96 13.225000000 1.0000000000
97 })
98 (type: [am = p]
99 {exp coef:0} = {
100 33.816000000 1.0000000000
101 })
102 (type: [am = p]
103 {exp coef:0} = {
104 86.467000000 1.0000000000
105 })
106 (type: [(am = d puream = 1)]
107 {exp coef:0} = {
108 2.0100000000 1.0000000000
109 })
110 (type: [(am = d puream = 1)]
111 {exp coef:0} = {
112 0.79600000000 1.0000000000
113 })
114 (type: [(am = d puream = 1)]
115 {exp coef:0} = {
116 0.31600000000 1.0000000000
117 })
118 (type: [(am = d puream = 1)]
119 {exp coef:0} = {
120 0.12500000000 1.0000000000
121 })
122 (type: [(am = d puream = 1)]
123 {exp coef:0} = {
124 7.0660000000 1.0000000000
125 })
126 (type: [(am = d puream = 1)]
127 {exp coef:0} = {
128 19.721000000 1.0000000000
129 })
130 (type: [(am = d puream = 1)]
131 {exp coef:0} = {
132 55.042000000 1.0000000000
133 })
134 (type: [(am = f puream = 1)]
135 {exp coef:0} = {
136 1.2150000000 1.0000000000
137 })
138 (type: [(am = f puream = 1)]
139 {exp coef:0} = {
140 0.52500000000 1.0000000000
141 })
142 (type: [(am = f puream = 1)]
143 {exp coef:0} = {
144 0.22700000000 1.0000000000
145 })
146 (type: [(am = f puream = 1)]
147 {exp coef:0} = {
148 9.9940000000 1.0000000000
149 })
150 (type: [(am = f puream = 1)]
151 {exp coef:0} = {
152 33.090000000 1.0000000000
153 })
154 (type: [(am = g puream = 1)]
155 {exp coef:0} = {
156 1.1240000000 1.0000000000
157 })
158 (type: [(am = g puream = 1)]
159 {exp coef:0} = {
160 0.46100000000 1.0000000000
161 })
162 (type: [(am = g puream = 1)]
163 {exp coef:0} = {
164 24.020000000 1.0000000000
165 })
166 (type: [(am = h puream = 1)]
167 {exp coef:0} = {
168 0.83400000000 1.0000000000
169 })
170 ]
171%
172% BASIS SET: (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
173% AUGMENTING FUNCTIONS: Tight (s,p,d,f,g)
174 carbon: "cc-pCV5Z": [
175 (type: [am = s am = s]
176 {exp coef:0 coef:1} = {
177 96770.000000 0.25000000000E-04 -0.50000000000E-05
178 14500.000000 0.19000000000E-03 -0.41000000000E-04
179 3300.0000000 0.10000000000E-02 -0.21300000000E-03
180 935.80000000 0.41830000000E-02 -0.89700000000E-03
181 306.20000000 0.14859000000E-01 -0.31870000000E-02
182 111.30000000 0.45301000000E-01 -0.99610000000E-02
183 43.900000000 0.11650400000 -0.26375000000E-01
184 18.400000000 0.24024900000 -0.60001000000E-01
185 8.0540000000 0.35879900000 -0.10682500000
186 3.6370000000 0.29394100000 -0.14416600000
187 })
188 (type: [am = s]
189 {exp coef:0} = {
190 1.6560000000 1.0000000000
191 })
192 (type: [am = s]
193 {exp coef:0} = {
194 0.63330000000 1.0000000000
195 })
196 (type: [am = s]
197 {exp coef:0} = {
198 0.25450000000 1.0000000000
199 })
200 (type: [am = s]
201 {exp coef:0} = {
202 0.10190000000 1.0000000000
203 })
204 (type: [am = s]
205 {exp coef:0} = {
206 9.1850000000 1.0000000000
207 })
208 (type: [am = s]
209 {exp coef:0} = {
210 20.795000000 1.0000000000
211 })
212 (type: [am = s]
213 {exp coef:0} = {
214 47.080000000 1.0000000000
215 })
216 (type: [am = s]
217 {exp coef:0} = {
218 106.58800000 1.0000000000
219 })
220 (type: [am = p]
221 {exp coef:0} = {
222 101.80000000 0.89100000000E-03
223 24.040000000 0.69760000000E-02
224 7.5710000000 0.31669000000E-01
225 2.7320000000 0.10400600000
226 })
227 (type: [am = p]
228 {exp coef:0} = {
229 1.0850000000 1.0000000000
230 })
231 (type: [am = p]
232 {exp coef:0} = {
233 0.44960000000 1.0000000000
234 })
235 (type: [am = p]
236 {exp coef:0} = {
237 0.18760000000 1.0000000000
238 })
239 (type: [am = p]
240 {exp coef:0} = {
241 0.76060000000E-01 1.0000000000
242 })
243 (type: [am = p]
244 {exp coef:0} = {
245 7.6680000000 1.0000000000
246 })
247 (type: [am = p]
248 {exp coef:0} = {
249 19.484000000 1.0000000000
250 })
251 (type: [am = p]
252 {exp coef:0} = {
253 49.510000000 1.0000000000
254 })
255 (type: [am = p]
256 {exp coef:0} = {
257 125.80400000 1.0000000000
258 })
259 (type: [(am = d puream = 1)]
260 {exp coef:0} = {
261 3.1340000000 1.0000000000
262 })
263 (type: [(am = d puream = 1)]
264 {exp coef:0} = {
265 1.2330000000 1.0000000000
266 })
267 (type: [(am = d puream = 1)]
268 {exp coef:0} = {
269 0.48500000000 1.0000000000
270 })
271 (type: [(am = d puream = 1)]
272 {exp coef:0} = {
273 0.19100000000 1.0000000000
274 })
275 (type: [(am = d puream = 1)]
276 {exp coef:0} = {
277 10.009000000 1.0000000000
278 })
279 (type: [(am = d puream = 1)]
280 {exp coef:0} = {
281 28.065000000 1.0000000000
282 })
283 (type: [(am = d puream = 1)]
284 {exp coef:0} = {
285 78.695000000 1.0000000000
286 })
287 (type: [(am = f puream = 1)]
288 {exp coef:0} = {
289 2.0060000000 1.0000000000
290 })
291 (type: [(am = f puream = 1)]
292 {exp coef:0} = {
293 0.83800000000 1.0000000000
294 })
295 (type: [(am = f puream = 1)]
296 {exp coef:0} = {
297 0.35000000000 1.0000000000
298 })
299 (type: [(am = f puream = 1)]
300 {exp coef:0} = {
301 11.693000000 1.0000000000
302 })
303 (type: [(am = f puream = 1)]
304 {exp coef:0} = {
305 41.569000000 1.0000000000
306 })
307 (type: [(am = g puream = 1)]
308 {exp coef:0} = {
309 1.7530000000 1.0000000000
310 })
311 (type: [(am = g puream = 1)]
312 {exp coef:0} = {
313 0.67800000000 1.0000000000
314 })
315 (type: [(am = g puream = 1)]
316 {exp coef:0} = {
317 32.780000000 1.0000000000
318 })
319 (type: [(am = h puream = 1)]
320 {exp coef:0} = {
321 1.2590000000 1.0000000000
322 })
323 ]
324%
325% BASIS SET: (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
326% AUGMENTING FUNCTIONS: Tight (s,p,d,f,g)
327 nitrogen: "cc-pCV5Z": [
328 (type: [am = s am = s]
329 {exp coef:0 coef:1} = {
330 129200.00000 0.25000000000E-04 -0.60000000000E-05
331 19350.000000 0.19700000000E-03 -0.43000000000E-04
332 4404.0000000 0.10320000000E-02 -0.22700000000E-03
333 1248.0000000 0.43250000000E-02 -0.95800000000E-03
334 408.00000000 0.15380000000E-01 -0.34160000000E-02
335 148.20000000 0.46867000000E-01 -0.10667000000E-01
336 58.500000000 0.12011600000 -0.28279000000E-01
337 24.590000000 0.24569500000 -0.64020000000E-01
338 10.810000000 0.36137900000 -0.11393200000
339 4.8820000000 0.28728300000 -0.14699500000
340 })
341 (type: [am = s]
342 {exp coef:0} = {
343 2.1950000000 1.0000000000
344 })
345 (type: [am = s]
346 {exp coef:0} = {
347 0.87150000000 1.0000000000
348 })
349 (type: [am = s]
350 {exp coef:0} = {
351 0.35040000000 1.0000000000
352 })
353 (type: [am = s]
354 {exp coef:0} = {
355 0.13970000000 1.0000000000
356 })
357 (type: [am = s]
358 {exp coef:0} = {
359 12.275000000 1.0000000000
360 })
361 (type: [am = s]
362 {exp coef:0} = {
363 27.827000000 1.0000000000
364 })
365 (type: [am = s]
366 {exp coef:0} = {
367 63.085000000 1.0000000000
368 })
369 (type: [am = s]
370 {exp coef:0} = {
371 143.01300000 1.0000000000
372 })
373 (type: [am = p]
374 {exp coef:0} = {
375 147.00000000 0.89200000000E-03
376 34.760000000 0.70820000000E-02
377 11.000000000 0.32816000000E-01
378 3.9950000000 0.10820900000
379 })
380 (type: [am = p]
381 {exp coef:0} = {
382 1.5870000000 1.0000000000
383 })
384 (type: [am = p]
385 {exp coef:0} = {
386 0.65330000000 1.0000000000
387 })
388 (type: [am = p]
389 {exp coef:0} = {
390 0.26860000000 1.0000000000
391 })
392 (type: [am = p]
393 {exp coef:0} = {
394 0.10670000000 1.0000000000
395 })
396 (type: [am = p]
397 {exp coef:0} = {
398 10.760000000 1.0000000000
399 })
400 (type: [am = p]
401 {exp coef:0} = {
402 27.180000000 1.0000000000
403 })
404 (type: [am = p]
405 {exp coef:0} = {
406 68.656000000 1.0000000000
407 })
408 (type: [am = p]
409 {exp coef:0} = {
410 173.42500000 1.0000000000
411 })
412 (type: [(am = d puream = 1)]
413 {exp coef:0} = {
414 4.6470000000 1.0000000000
415 })
416 (type: [(am = d puream = 1)]
417 {exp coef:0} = {
418 1.8130000000 1.0000000000
419 })
420 (type: [(am = d puream = 1)]
421 {exp coef:0} = {
422 0.70700000000 1.0000000000
423 })
424 (type: [(am = d puream = 1)]
425 {exp coef:0} = {
426 0.27600000000 1.0000000000
427 })
428 (type: [(am = d puream = 1)]
429 {exp coef:0} = {
430 14.053000000 1.0000000000
431 })
432 (type: [(am = d puream = 1)]
433 {exp coef:0} = {
434 39.081000000 1.0000000000
435 })
436 (type: [(am = d puream = 1)]
437 {exp coef:0} = {
438 108.68500000 1.0000000000
439 })
440 (type: [(am = f puream = 1)]
441 {exp coef:0} = {
442 2.9420000000 1.0000000000
443 })
444 (type: [(am = f puream = 1)]
445 {exp coef:0} = {
446 1.2040000000 1.0000000000
447 })
448 (type: [(am = f puream = 1)]
449 {exp coef:0} = {
450 0.49300000000 1.0000000000
451 })
452 (type: [(am = f puream = 1)]
453 {exp coef:0} = {
454 14.357000000 1.0000000000
455 })
456 (type: [(am = f puream = 1)]
457 {exp coef:0} = {
458 52.690000000 1.0000000000
459 })
460 (type: [(am = g puream = 1)]
461 {exp coef:0} = {
462 2.5110000000 1.0000000000
463 })
464 (type: [(am = g puream = 1)]
465 {exp coef:0} = {
466 0.94200000000 1.0000000000
467 })
468 (type: [(am = g puream = 1)]
469 {exp coef:0} = {
470 41.120000000 1.0000000000
471 })
472 (type: [(am = h puream = 1)]
473 {exp coef:0} = {
474 1.7680000000 1.0000000000
475 })
476 ]
477%
478% BASIS SET: (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
479% AUGMENTING FUNCTIONS: Tight (s,p,d,f,g)
480 oxygen: "cc-pCV5Z": [
481 (type: [am = s am = s]
482 {exp coef:0 coef:1} = {
483 164200.00000 0.26000000000E-04 -0.60000000000E-05
484 24590.000000 0.20500000000E-03 -0.46000000000E-04
485 5592.0000000 0.10760000000E-02 -0.24400000000E-03
486 1582.0000000 0.45220000000E-02 -0.10310000000E-02
487 516.10000000 0.16108000000E-01 -0.36880000000E-02
488 187.20000000 0.49085000000E-01 -0.11514000000E-01
489 73.930000000 0.12485700000 -0.30435000000E-01
490 31.220000000 0.25168600000 -0.68147000000E-01
491 13.810000000 0.36242000000 -0.12036800000
492 6.2560000000 0.27905100000 -0.14826000000
493 })
494 (type: [am = s]
495 {exp coef:0} = {
496 2.7760000000 1.0000000000
497 })
498 (type: [am = s]
499 {exp coef:0} = {
500 1.1380000000 1.0000000000
501 })
502 (type: [am = s]
503 {exp coef:0} = {
504 0.46000000000 1.0000000000
505 })
506 (type: [am = s]
507 {exp coef:0} = {
508 0.18290000000 1.0000000000
509 })
510 (type: [am = s]
511 {exp coef:0} = {
512 15.645000000 1.0000000000
513 })
514 (type: [am = s]
515 {exp coef:0} = {
516 35.874000000 1.0000000000
517 })
518 (type: [am = s]
519 {exp coef:0} = {
520 82.259000000 1.0000000000
521 })
522 (type: [am = s]
523 {exp coef:0} = {
524 188.62000000 1.0000000000
525 })
526 (type: [am = p]
527 {exp coef:0} = {
528 195.50000000 0.91800000000E-03
529 46.160000000 0.73880000000E-02
530 14.580000000 0.34958000000E-01
531 5.2960000000 0.11543100000
532 })
533 (type: [am = p]
534 {exp coef:0} = {
535 2.0940000000 1.0000000000
536 })
537 (type: [am = p]
538 {exp coef:0} = {
539 0.84710000000 1.0000000000
540 })
541 (type: [am = p]
542 {exp coef:0} = {
543 0.33680000000 1.0000000000
544 })
545 (type: [am = p]
546 {exp coef:0} = {
547 0.12850000000 1.0000000000
548 })
549 (type: [am = p]
550 {exp coef:0} = {
551 14.049000000 1.0000000000
552 })
553 (type: [am = p]
554 {exp coef:0} = {
555 35.446000000 1.0000000000
556 })
557 (type: [am = p]
558 {exp coef:0} = {
559 89.429000000 1.0000000000
560 })
561 (type: [am = p]
562 {exp coef:0} = {
563 225.63000000 1.0000000000
564 })
565 (type: [(am = d puream = 1)]
566 {exp coef:0} = {
567 5.8790000000 1.0000000000
568 })
569 (type: [(am = d puream = 1)]
570 {exp coef:0} = {
571 2.3070000000 1.0000000000
572 })
573 (type: [(am = d puream = 1)]
574 {exp coef:0} = {
575 0.90500000000 1.0000000000
576 })
577 (type: [(am = d puream = 1)]
578 {exp coef:0} = {
579 0.35500000000 1.0000000000
580 })
581 (type: [(am = d puream = 1)]
582 {exp coef:0} = {
583 16.703000000 1.0000000000
584 })
585 (type: [(am = d puream = 1)]
586 {exp coef:0} = {
587 47.320000000 1.0000000000
588 })
589 (type: [(am = d puream = 1)]
590 {exp coef:0} = {
591 134.05600000 1.0000000000
592 })
593 (type: [(am = f puream = 1)]
594 {exp coef:0} = {
595 4.0160000000 1.0000000000
596 })
597 (type: [(am = f puream = 1)]
598 {exp coef:0} = {
599 1.5540000000 1.0000000000
600 })
601 (type: [(am = f puream = 1)]
602 {exp coef:0} = {
603 0.60100000000 1.0000000000
604 })
605 (type: [(am = f puream = 1)]
606 {exp coef:0} = {
607 17.354000000 1.0000000000
608 })
609 (type: [(am = f puream = 1)]
610 {exp coef:0} = {
611 65.546000000 1.0000000000
612 })
613 (type: [(am = g puream = 1)]
614 {exp coef:0} = {
615 3.3500000000 1.0000000000
616 })
617 (type: [(am = g puream = 1)]
618 {exp coef:0} = {
619 1.1890000000 1.0000000000
620 })
621 (type: [(am = g puream = 1)]
622 {exp coef:0} = {
623 48.578000000 1.0000000000
624 })
625 (type: [(am = h puream = 1)]
626 {exp coef:0} = {
627 2.3190000000 1.0000000000
628 })
629 ]
630%
631% BASIS SET: (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
632% AUGMENTING FUNCTIONS: Tight (s,p,d,f,g)
633 fluorine: "cc-pCV5Z": [
634 (type: [am = s am = s]
635 {exp coef:0 coef:1} = {
636 211400.00000 0.26000000000E-04 -0.60000000000E-05
637 31660.000000 0.20100000000E-03 -0.47000000000E-04
638 7202.0000000 0.10560000000E-02 -0.24400000000E-03
639 2040.0000000 0.44320000000E-02 -0.10310000000E-02
640 666.40000000 0.15766000000E-01 -0.36830000000E-02
641 242.00000000 0.48112000000E-01 -0.11513000000E-01
642 95.530000000 0.12323200000 -0.30663000000E-01
643 40.230000000 0.25151900000 -0.69572000000E-01
644 17.720000000 0.36452500000 -0.12399200000
645 8.0050000000 0.27976600000 -0.15021400000
646 })
647 (type: [am = s]
648 {exp coef:0} = {
649 3.5380000000 1.0000000000
650 })
651 (type: [am = s]
652 {exp coef:0} = {
653 1.4580000000 1.0000000000
654 })
655 (type: [am = s]
656 {exp coef:0} = {
657 0.58870000000 1.0000000000
658 })
659 (type: [am = s]
660 {exp coef:0} = {
661 0.23240000000 1.0000000000
662 })
663 (type: [am = s]
664 {exp coef:0} = {
665 19.876000000 1.0000000000
666 })
667 (type: [am = s]
668 {exp coef:0} = {
669 44.880000000 1.0000000000
670 })
671 (type: [am = s]
672 {exp coef:0} = {
673 101.33900000 1.0000000000
674 })
675 (type: [am = s]
676 {exp coef:0} = {
677 228.82400000 1.0000000000
678 })
679 (type: [am = p]
680 {exp coef:0} = {
681 241.90000000 0.10020000000E-02
682 57.170000000 0.80540000000E-02
683 18.130000000 0.38048000000E-01
684 6.6240000000 0.12377900000
685 })
686 (type: [am = p]
687 {exp coef:0} = {
688 2.6220000000 1.0000000000
689 })
690 (type: [am = p]
691 {exp coef:0} = {
692 1.0570000000 1.0000000000
693 })
694 (type: [am = p]
695 {exp coef:0} = {
696 0.41760000000 1.0000000000
697 })
698 (type: [am = p]
699 {exp coef:0} = {
700 0.15740000000 1.0000000000
701 })
702 (type: [am = p]
703 {exp coef:0} = {
704 17.306000000 1.0000000000
705 })
706 (type: [am = p]
707 {exp coef:0} = {
708 43.663000000 1.0000000000
709 })
710 (type: [am = p]
711 {exp coef:0} = {
712 110.16200000 1.0000000000
713 })
714 (type: [am = p]
715 {exp coef:0} = {
716 277.93800000 1.0000000000
717 })
718 (type: [(am = d puream = 1)]
719 {exp coef:0} = {
720 7.7600000000 1.0000000000
721 })
722 (type: [(am = d puream = 1)]
723 {exp coef:0} = {
724 3.0320000000 1.0000000000
725 })
726 (type: [(am = d puream = 1)]
727 {exp coef:0} = {
728 1.1850000000 1.0000000000
729 })
730 (type: [(am = d puream = 1)]
731 {exp coef:0} = {
732 0.46300000000 1.0000000000
733 })
734 (type: [(am = d puream = 1)]
735 {exp coef:0} = {
736 21.731000000 1.0000000000
737 })
738 (type: [(am = d puream = 1)]
739 {exp coef:0} = {
740 60.955000000 1.0000000000
741 })
742 (type: [(am = d puream = 1)]
743 {exp coef:0} = {
744 170.89000000 1.0000000000
745 })
746 (type: [(am = f puream = 1)]
747 {exp coef:0} = {
748 5.3980000000 1.0000000000
749 })
750 (type: [(am = f puream = 1)]
751 {exp coef:0} = {
752 2.0780000000 1.0000000000
753 })
754 (type: [(am = f puream = 1)]
755 {exp coef:0} = {
756 0.80000000000 1.0000000000
757 })
758 (type: [(am = f puream = 1)]
759 {exp coef:0} = {
760 22.337000000 1.0000000000
761 })
762 (type: [(am = f puream = 1)]
763 {exp coef:0} = {
764 82.290000000 1.0000000000
765 })
766 (type: [(am = g puream = 1)]
767 {exp coef:0} = {
768 4.3380000000 1.0000000000
769 })
770 (type: [(am = g puream = 1)]
771 {exp coef:0} = {
772 1.5130000000 1.0000000000
773 })
774 (type: [(am = g puream = 1)]
775 {exp coef:0} = {
776 49.727000000 1.0000000000
777 })
778 (type: [(am = h puream = 1)]
779 {exp coef:0} = {
780 2.9950000000 1.0000000000
781 })
782 ]
783%
784% BASIS SET: (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
785% AUGMENTING FUNCTIONS: Tight (s,p,d,f,g)
786 neon: "cc-pCV5Z": [
787 (type: [am = s am = s]
788 {exp coef:0 coef:1} = {
789 262700.00000 0.26000000000E-04 -0.60000000000E-05
790 39350.000000 0.20000000000E-03 -0.47000000000E-04
791 8955.0000000 0.10500000000E-02 -0.24700000000E-03
792 2538.0000000 0.44000000000E-02 -0.10380000000E-02
793 829.90000000 0.15649000000E-01 -0.37110000000E-02
794 301.50000000 0.47758000000E-01 -0.11593000000E-01
795 119.00000000 0.12294300000 -0.31086000000E-01
796 50.000000000 0.25248300000 -0.70972000000E-01
797 21.980000000 0.36631400000 -0.12726600000
798 9.8910000000 0.27961700000 -0.15123100000
799 })
800 (type: [am = s]
801 {exp coef:0} = {
802 4.3270000000 1.0000000000
803 })
804 (type: [am = s]
805 {exp coef:0} = {
806 1.8040000000 1.0000000000
807 })
808 (type: [am = s]
809 {exp coef:0} = {
810 0.72880000000 1.0000000000
811 })
812 (type: [am = s]
813 {exp coef:0} = {
814 0.28670000000 1.0000000000
815 })
816 (type: [am = s]
817 {exp coef:0} = {
818 24.313000000 1.0000000000
819 })
820 (type: [am = s]
821 {exp coef:0} = {
822 54.680000000 1.0000000000
823 })
824 (type: [am = s]
825 {exp coef:0} = {
826 122.97500000 1.0000000000
827 })
828 (type: [am = s]
829 {exp coef:0} = {
830 276.57100000 1.0000000000
831 })
832 (type: [am = p]
833 {exp coef:0} = {
834 299.10000000 0.10380000000E-02
835 70.730000000 0.83750000000E-02
836 22.480000000 0.39693000000E-01
837 8.2460000000 0.12805600000
838 })
839 (type: [am = p]
840 {exp coef:0} = {
841 3.2690000000 1.0000000000
842 })
843 (type: [am = p]
844 {exp coef:0} = {
845 1.3150000000 1.0000000000
846 })
847 (type: [am = p]
848 {exp coef:0} = {
849 0.51580000000 1.0000000000
850 })
851 (type: [am = p]
852 {exp coef:0} = {
853 0.19180000000 1.0000000000
854 })
855 (type: [am = p]
856 {exp coef:0} = {
857 21.309000000 1.0000000000
858 })
859 (type: [am = p]
860 {exp coef:0} = {
861 53.720000000 1.0000000000
862 })
863 (type: [am = p]
864 {exp coef:0} = {
865 135.42800000 1.0000000000
866 })
867 (type: [am = p]
868 {exp coef:0} = {
869 341.41400000 1.0000000000
870 })
871 (type: [(am = d puream = 1)]
872 {exp coef:0} = {
873 9.8370000000 1.0000000000
874 })
875 (type: [(am = d puream = 1)]
876 {exp coef:0} = {
877 3.8440000000 1.0000000000
878 })
879 (type: [(am = d puream = 1)]
880 {exp coef:0} = {
881 1.5020000000 1.0000000000
882 })
883 (type: [(am = d puream = 1)]
884 {exp coef:0} = {
885 0.58700000000 1.0000000000
886 })
887 (type: [(am = d puream = 1)]
888 {exp coef:0} = {
889 27.044000000 1.0000000000
890 })
891 (type: [(am = d puream = 1)]
892 {exp coef:0} = {
893 75.750000000 1.0000000000
894 })
895 (type: [(am = d puream = 1)]
896 {exp coef:0} = {
897 212.17600000 1.0000000000
898 })
899 (type: [(am = f puream = 1)]
900 {exp coef:0} = {
901 7.0900000000 1.0000000000
902 })
903 (type: [(am = f puream = 1)]
904 {exp coef:0} = {
905 2.7380000000 1.0000000000
906 })
907 (type: [(am = f puream = 1)]
908 {exp coef:0} = {
909 1.0570000000 1.0000000000
910 })
911 (type: [(am = f puream = 1)]
912 {exp coef:0} = {
913 28.029000000 1.0000000000
914 })
915 (type: [(am = f puream = 1)]
916 {exp coef:0} = {
917 102.58600000 1.0000000000
918 })
919 (type: [(am = g puream = 1)]
920 {exp coef:0} = {
921 5.4600000000 1.0000000000
922 })
923 (type: [(am = g puream = 1)]
924 {exp coef:0} = {
925 1.8800000000 1.0000000000
926 })
927 (type: [(am = g puream = 1)]
928 {exp coef:0} = {
929 38.794000000 1.0000000000
930 })
931 (type: [(am = h puream = 1)]
932 {exp coef:0} = {
933 3.7760000000 1.0000000000
934 })
935 ]
936)
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