source: ThirdParty/mpqc_open/lib/basis/cc-pv6z.kv@ 0f9eb0

Candidate_v1.7.0 stable
Last change on this file since 0f9eb0 was 860145, checked in by Frederik Heber <heber@…>, 9 years ago

Merge commit '0b990dfaa8c6007a996d030163a25f7f5fc8a7e7' as 'ThirdParty/mpqc_open'
  • Property mode set to 100644
File size: 50.3 KB
RevLine 
[0b990d]1%BASIS "cc-pV6Z" CARTESIAN
2basis:(
3%Elements References
4%-------- ----------
5%H: K.A. Peterson, D.E. Woon and T. H. Dunning, Jr., (to be published).
6%B - Ne: A. K. Wilson, T. v. Mourik and T. H. Dunning, Jr., J. Mol. Struct.
7% (THEOCHEM) 388, 339 (1997).
8%
9%
10% BASIS SET: (10s,5p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
11 hydrogen: "cc-pV6Z": [
12 (type: [am = s]
13 {exp coef:0} = {
14 1776.7755600 0.44000000000E-04
15 254.01771200 0.37200000000E-03
16 54.698039000 0.20940000000E-02
17 15.018344000 0.88630000000E-02
18 4.9150780000 0.30540000000E-01
19 })
20 (type: [am = s]
21 {exp coef:0} = {
22 1.7949240000 1.0000000000
23 })
24 (type: [am = s]
25 {exp coef:0} = {
26 0.71071600000 1.0000000000
27 })
28 (type: [am = s]
29 {exp coef:0} = {
30 0.30480200000 1.0000000000
31 })
32 (type: [am = s]
33 {exp coef:0} = {
34 0.13804600000 1.0000000000
35 })
36 (type: [am = s]
37 {exp coef:0} = {
38 0.62157000000E-01 1.0000000000
39 })
40 (type: [am = p]
41 {exp coef:0} = {
42 8.6490000000 1.0000000000
43 })
44 (type: [am = p]
45 {exp coef:0} = {
46 3.4300000000 1.0000000000
47 })
48 (type: [am = p]
49 {exp coef:0} = {
50 1.3600000000 1.0000000000
51 })
52 (type: [am = p]
53 {exp coef:0} = {
54 0.53900000000 1.0000000000
55 })
56 (type: [am = p]
57 {exp coef:0} = {
58 0.21400000000 1.0000000000
59 })
60 (type: [(am = d puream = 1)]
61 {exp coef:0} = {
62 4.4530000000 1.0000000000
63 })
64 (type: [(am = d puream = 1)]
65 {exp coef:0} = {
66 1.9580000000 1.0000000000
67 })
68 (type: [(am = d puream = 1)]
69 {exp coef:0} = {
70 0.86100000000 1.0000000000
71 })
72 (type: [(am = d puream = 1)]
73 {exp coef:0} = {
74 0.37800000000 1.0000000000
75 })
76 (type: [(am = f puream = 1)]
77 {exp coef:0} = {
78 4.1000000000 1.0000000000
79 })
80 (type: [(am = f puream = 1)]
81 {exp coef:0} = {
82 1.7800000000 1.0000000000
83 })
84 (type: [(am = f puream = 1)]
85 {exp coef:0} = {
86 0.77300000000 1.0000000000
87 })
88 (type: [(am = g puream = 1)]
89 {exp coef:0} = {
90 3.1990000000 1.0000000000
91 })
92 (type: [(am = g puream = 1)]
93 {exp coef:0} = {
94 1.3260000000 1.0000000000
95 })
96 (type: [(am = h puream = 1)]
97 {exp coef:0} = {
98 2.6530000000 1.0000000000
99 })
100 ]
101%
102% BASIS SET: (10s,5p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
103 helium: "cc-pV6Z": [
104 (type: [am = s]
105 {exp coef:0} = {
106 4785.0000000 0.60000000000E-06
107 717.00000000 0.47000000000E-05
108 163.20000000 0.24400000000E-04
109 46.260000000 0.10120000000E-03
110 15.100000000 0.34860000000E-03
111 })
112 (type: [am = s]
113 {exp coef:0} = {
114 5.4370000000 1.0000000000
115 })
116 (type: [am = s]
117 {exp coef:0} = {
118 2.0880000000 1.0000000000
119 })
120 (type: [am = s]
121 {exp coef:0} = {
122 0.82970000000 1.0000000000
123 })
124 (type: [am = s]
125 {exp coef:0} = {
126 0.33660000000 1.0000000000
127 })
128 (type: [am = s]
129 {exp coef:0} = {
130 0.13690000000 1.0000000000
131 })
132 (type: [am = p]
133 {exp coef:0} = {
134 0.38700000000 1.0000000000
135 })
136 (type: [am = p]
137 {exp coef:0} = {
138 0.98400000000 1.0000000000
139 })
140 (type: [am = p]
141 {exp coef:0} = {
142 2.4980000000 1.0000000000
143 })
144 (type: [am = p]
145 {exp coef:0} = {
146 6.3420000000 1.0000000000
147 })
148 (type: [am = p]
149 {exp coef:0} = {
150 16.104000000 1.0000000000
151 })
152 (type: [(am = d puream = 1)]
153 {exp coef:0} = {
154 0.74700000000 1.0000000000
155 })
156 (type: [(am = d puream = 1)]
157 {exp coef:0} = {
158 1.9100000000 1.0000000000
159 })
160 (type: [(am = d puream = 1)]
161 {exp coef:0} = {
162 4.8860000000 1.0000000000
163 })
164 (type: [(am = d puream = 1)]
165 {exp coef:0} = {
166 12.498000000 1.0000000000
167 })
168 (type: [(am = f puream = 1)]
169 {exp coef:0} = {
170 1.2920000000 1.0000000000
171 })
172 (type: [(am = f puream = 1)]
173 {exp coef:0} = {
174 3.4620000000 1.0000000000
175 })
176 (type: [(am = f puream = 1)]
177 {exp coef:0} = {
178 9.2760000000 1.0000000000
179 })
180 (type: [(am = g puream = 1)]
181 {exp coef:0} = {
182 2.2360000000 1.0000000000
183 })
184 (type: [(am = g puream = 1)]
185 {exp coef:0} = {
186 6.5860000000 1.0000000000
187 })
188 (type: [(am = h puream = 1)]
189 {exp coef:0} = {
190 4.1590000000 1.0000000000
191 })
192 ]
193%
194% BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
195 boron: "cc-pV6Z": [
196 (type: [am = s am = s]
197 {exp coef:0 coef:1} = {
198 210400.00000 0.58300000000E-05 -0.11800000000E-05
199 31500.000000 0.45320000000E-04 -0.91500000000E-05
200 7169.0000000 0.23838000000E-03 -0.48190000000E-04
201 2030.0000000 0.10057000000E-02 -0.20306000000E-03
202 662.50000000 0.36449600000E-02 -0.73917000000E-03
203 239.20000000 0.11736280000E-01 -0.23860300000E-02
204 93.260000000 0.33807020000E-01 -0.69865400000E-02
205 38.640000000 0.85565930000E-01 -0.18115940000E-01
206 16.780000000 0.18260322000 -0.41231290000E-01
207 7.5410000000 0.30583760000 -0.77813530000E-01
208 3.4820000000 0.34080347000 -0.12123181000
209 })
210 (type: [am = s]
211 {exp coef:0} = {
212 1.6180000000 1.0000000000
213 })
214 (type: [am = s]
215 {exp coef:0} = {
216 0.62700000000 1.0000000000
217 })
218 (type: [am = s]
219 {exp coef:0} = {
220 0.29340000000 1.0000000000
221 })
222 (type: [am = s]
223 {exp coef:0} = {
224 0.13100000000 1.0000000000
225 })
226 (type: [am = s]
227 {exp coef:0} = {
228 0.58150000000E-01 1.0000000000
229 })
230 (type: [am = p]
231 {exp coef:0} = {
232 192.50000000 0.13490000000E-03
233 45.640000000 0.11474100000E-02
234 14.750000000 0.58479300000E-02
235 5.5030000000 0.21170910000E-01
236 2.2220000000 0.62668720000E-01
237 })
238 (type: [am = p]
239 {exp coef:0} = {
240 0.95900000000 1.0000000000
241 })
242 (type: [am = p]
243 {exp coef:0} = {
244 0.43140000000 1.0000000000
245 })
246 (type: [am = p]
247 {exp coef:0} = {
248 0.19690000000 1.0000000000
249 })
250 (type: [am = p]
251 {exp coef:0} = {
252 0.90330000000E-01 1.0000000000
253 })
254 (type: [am = p]
255 {exp coef:0} = {
256 0.40660000000E-01 1.0000000000
257 })
258 (type: [(am = d puream = 1)]
259 {exp coef:0} = {
260 2.8860000000 1.0000000000
261 })
262 (type: [(am = d puream = 1)]
263 {exp coef:0} = {
264 1.2670000000 1.0000000000
265 })
266 (type: [(am = d puream = 1)]
267 {exp coef:0} = {
268 0.55600000000 1.0000000000
269 })
270 (type: [(am = d puream = 1)]
271 {exp coef:0} = {
272 0.24400000000 1.0000000000
273 })
274 (type: [(am = d puream = 1)]
275 {exp coef:0} = {
276 0.10700000000 1.0000000000
277 })
278 (type: [(am = f puream = 1)]
279 {exp coef:0} = {
280 1.6510000000 1.0000000000
281 })
282 (type: [(am = f puream = 1)]
283 {exp coef:0} = {
284 0.80020000000 1.0000000000
285 })
286 (type: [(am = f puream = 1)]
287 {exp coef:0} = {
288 0.38780000000 1.0000000000
289 })
290 (type: [(am = f puream = 1)]
291 {exp coef:0} = {
292 0.18800000000 1.0000000000
293 })
294 (type: [(am = g puream = 1)]
295 {exp coef:0} = {
296 1.6469000000 1.0000000000
297 })
298 (type: [(am = g puream = 1)]
299 {exp coef:0} = {
300 0.78890000000 1.0000000000
301 })
302 (type: [(am = g puream = 1)]
303 {exp coef:0} = {
304 0.37790000000 1.0000000000
305 })
306 (type: [(am = h puream = 1)]
307 {exp coef:0} = {
308 1.3120000000 1.0000000000
309 })
310 (type: [(am = h puream = 1)]
311 {exp coef:0} = {
312 0.58060000000 1.0000000000
313 })
314 (type: [(am = i puream = 1)]
315 {exp coef:0} = {
316 0.98470000000 1.0000000000
317 })
318 ]
319%
320% BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
321 carbon: "cc-pV6Z": [
322 (type: [am = s am = s]
323 {exp coef:0 coef:1} = {
324 312100.00000 0.56700000000E-05 -0.12100000000E-05
325 46740.000000 0.44100000000E-04 -0.93900000000E-05
326 10640.000000 0.23190000000E-03 -0.49470000000E-04
327 3013.0000000 0.97897000000E-03 -0.20857000000E-03
328 982.80000000 0.35516300000E-02 -0.76015000000E-03
329 354.80000000 0.11440610000E-01 -0.24546900000E-02
330 138.40000000 0.32998550000E-01 -0.72015300000E-02
331 57.350000000 0.84053470000E-01 -0.18807420000E-01
332 24.920000000 0.18067613000 -0.43250010000E-01
333 11.230000000 0.30491140000 -0.82597330000E-01
334 5.2010000000 0.34141570000 -0.12857592000
335 })
336 (type: [am = s]
337 {exp coef:0} = {
338 2.4260000000 1.0000000000
339 })
340 (type: [am = s]
341 {exp coef:0} = {
342 0.96730000000 1.0000000000
343 })
344 (type: [am = s]
345 {exp coef:0} = {
346 0.44560000000 1.0000000000
347 })
348 (type: [am = s]
349 {exp coef:0} = {
350 0.19710000000 1.0000000000
351 })
352 (type: [am = s]
353 {exp coef:0} = {
354 0.86350000000E-01 1.0000000000
355 })
356 (type: [am = p]
357 {exp coef:0} = {
358 295.20000000 0.14249000000E-03
359 69.980000000 0.12201000000E-02
360 22.640000000 0.63369600000E-02
361 8.4850000000 0.23518750000E-01
362 3.4590000000 0.69904470000E-01
363 })
364 (type: [am = p]
365 {exp coef:0} = {
366 1.5040000000 1.0000000000
367 })
368 (type: [am = p]
369 {exp coef:0} = {
370 0.67830000000 1.0000000000
371 })
372 (type: [am = p]
373 {exp coef:0} = {
374 0.30870000000 1.0000000000
375 })
376 (type: [am = p]
377 {exp coef:0} = {
378 0.14000000000 1.0000000000
379 })
380 (type: [am = p]
381 {exp coef:0} = {
382 0.61780000000E-01 1.0000000000
383 })
384 (type: [(am = d puream = 1)]
385 {exp coef:0} = {
386 4.5420000000 1.0000000000
387 })
388 (type: [(am = d puream = 1)]
389 {exp coef:0} = {
390 1.9790000000 1.0000000000
391 })
392 (type: [(am = d puream = 1)]
393 {exp coef:0} = {
394 0.86210000000 1.0000000000
395 })
396 (type: [(am = d puream = 1)]
397 {exp coef:0} = {
398 0.37560000000 1.0000000000
399 })
400 (type: [(am = d puream = 1)]
401 {exp coef:0} = {
402 0.16360000000 1.0000000000
403 })
404 (type: [(am = f puream = 1)]
405 {exp coef:0} = {
406 2.6310000000 1.0000000000
407 })
408 (type: [(am = f puream = 1)]
409 {exp coef:0} = {
410 1.2550000000 1.0000000000
411 })
412 (type: [(am = f puream = 1)]
413 {exp coef:0} = {
414 0.59880000000 1.0000000000
415 })
416 (type: [(am = f puream = 1)]
417 {exp coef:0} = {
418 0.28570000000 1.0000000000
419 })
420 (type: [(am = g puream = 1)]
421 {exp coef:0} = {
422 2.6520000000 1.0000000000
423 })
424 (type: [(am = g puream = 1)]
425 {exp coef:0} = {
426 1.2040000000 1.0000000000
427 })
428 (type: [(am = g puream = 1)]
429 {exp coef:0} = {
430 0.54700000000 1.0000000000
431 })
432 (type: [(am = h puream = 1)]
433 {exp coef:0} = {
434 2.0300000000 1.0000000000
435 })
436 (type: [(am = h puream = 1)]
437 {exp coef:0} = {
438 0.85110000000 1.0000000000
439 })
440 (type: [(am = i puream = 1)]
441 {exp coef:0} = {
442 1.4910000000 1.0000000000
443 })
444 ]
445%
446% BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
447 nitrogen: "cc-pV6Z": [
448 (type: [am = s am = s]
449 {exp coef:0 coef:1} = {
450 432300.00000 0.55900000000E-05 -0.12300000000E-05
451 64700.000000 0.43510000000E-04 -0.95800000000E-05
452 14720.000000 0.22893000000E-03 -0.50510000000E-04
453 4170.0000000 0.96502000000E-03 -0.21264000000E-03
454 1361.0000000 0.35021900000E-02 -0.77534000000E-03
455 491.20000000 0.11292120000E-01 -0.25062400000E-02
456 191.60000000 0.32612830000E-01 -0.73652900000E-02
457 79.410000000 0.83297270000E-01 -0.19301670000E-01
458 34.530000000 0.17998566000 -0.44717380000E-01
459 15.580000000 0.30500351000 -0.86066470000E-01
460 7.2320000000 0.34115932000 -0.13329627000
461 })
462 (type: [am = s]
463 {exp coef:0} = {
464 3.3820000000 1.0000000000
465 })
466 (type: [am = s]
467 {exp coef:0} = {
468 1.3690000000 1.0000000000
469 })
470 (type: [am = s]
471 {exp coef:0} = {
472 0.62480000000 1.0000000000
473 })
474 (type: [am = s]
475 {exp coef:0} = {
476 0.27470000000 1.0000000000
477 })
478 (type: [am = s]
479 {exp coef:0} = {
480 0.11920000000 1.0000000000
481 })
482 (type: [am = p]
483 {exp coef:0} = {
484 415.90000000 0.14841000000E-03
485 98.610000000 0.12763400000E-02
486 31.920000000 0.67024200000E-02
487 12.000000000 0.25261700000E-01
488 4.9190000000 0.75189430000E-01
489 })
490 (type: [am = p]
491 {exp coef:0} = {
492 2.1480000000 1.0000000000
493 })
494 (type: [am = p]
495 {exp coef:0} = {
496 0.96960000000 1.0000000000
497 })
498 (type: [am = p]
499 {exp coef:0} = {
500 0.43990000000 1.0000000000
501 })
502 (type: [am = p]
503 {exp coef:0} = {
504 0.19780000000 1.0000000000
505 })
506 (type: [am = p]
507 {exp coef:0} = {
508 0.86030000000E-01 1.0000000000
509 })
510 (type: [(am = d puream = 1)]
511 {exp coef:0} = {
512 6.7170000000 1.0000000000
513 })
514 (type: [(am = d puream = 1)]
515 {exp coef:0} = {
516 2.8960000000 1.0000000000
517 })
518 (type: [(am = d puream = 1)]
519 {exp coef:0} = {
520 1.2490000000 1.0000000000
521 })
522 (type: [(am = d puream = 1)]
523 {exp coef:0} = {
524 0.53800000000 1.0000000000
525 })
526 (type: [(am = d puream = 1)]
527 {exp coef:0} = {
528 0.23200000000 1.0000000000
529 })
530 (type: [(am = f puream = 1)]
531 {exp coef:0} = {
532 3.8290000000 1.0000000000
533 })
534 (type: [(am = f puream = 1)]
535 {exp coef:0} = {
536 1.7950000000 1.0000000000
537 })
538 (type: [(am = f puream = 1)]
539 {exp coef:0} = {
540 0.84100000000 1.0000000000
541 })
542 (type: [(am = f puream = 1)]
543 {exp coef:0} = {
544 0.39400000000 1.0000000000
545 })
546 (type: [(am = g puream = 1)]
547 {exp coef:0} = {
548 3.8560000000 1.0000000000
549 })
550 (type: [(am = g puream = 1)]
551 {exp coef:0} = {
552 1.7020000000 1.0000000000
553 })
554 (type: [(am = g puream = 1)]
555 {exp coef:0} = {
556 0.75100000000 1.0000000000
557 })
558 (type: [(am = h puream = 1)]
559 {exp coef:0} = {
560 2.8750000000 1.0000000000
561 })
562 (type: [(am = h puream = 1)]
563 {exp coef:0} = {
564 1.1700000000 1.0000000000
565 })
566 (type: [(am = i puream = 1)]
567 {exp coef:0} = {
568 2.0990000000 1.0000000000
569 })
570 ]
571%
572% BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
573 oxygen: "cc-pV6Z": [
574 (type: [am = s am = s]
575 {exp coef:0 coef:1} = {
576 570800.00000 0.55500000000E-05 -0.12600000000E-05
577 85480.000000 0.43110000000E-04 -0.97700000000E-05
578 19460.000000 0.22667000000E-03 -0.51480000000E-04
579 5512.0000000 0.95637000000E-03 -0.21696000000E-03
580 1798.0000000 0.34732000000E-02 -0.79162000000E-03
581 648.90000000 0.11197780000E-01 -0.25590000000E-02
582 253.10000000 0.32387660000E-01 -0.75331300000E-02
583 104.90000000 0.82859770000E-01 -0.19788970000E-01
584 45.650000000 0.17958381000 -0.46062880000E-01
585 20.620000000 0.30522110000 -0.89195600000E-01
586 9.5870000000 0.34089349000 -0.13754216000
587 })
588 (type: [am = s]
589 {exp coef:0} = {
590 4.4930000000 1.0000000000
591 })
592 (type: [am = s]
593 {exp coef:0} = {
594 1.8370000000 1.0000000000
595 })
596 (type: [am = s]
597 {exp coef:0} = {
598 0.83490000000 1.0000000000
599 })
600 (type: [am = s]
601 {exp coef:0} = {
602 0.36580000000 1.0000000000
603 })
604 (type: [am = s]
605 {exp coef:0} = {
606 0.15700000000 1.0000000000
607 })
608 (type: [am = p]
609 {exp coef:0} = {
610 525.60000000 0.16664000000E-03
611 124.60000000 0.14333600000E-02
612 40.340000000 0.75476200000E-02
613 15.180000000 0.28594560000E-01
614 6.2450000000 0.84388580000E-01
615 })
616 (type: [am = p]
617 {exp coef:0} = {
618 2.7320000000 1.0000000000
619 })
620 (type: [am = p]
621 {exp coef:0} = {
622 1.2270000000 1.0000000000
623 })
624 (type: [am = p]
625 {exp coef:0} = {
626 0.54920000000 1.0000000000
627 })
628 (type: [am = p]
629 {exp coef:0} = {
630 0.24180000000 1.0000000000
631 })
632 (type: [am = p]
633 {exp coef:0} = {
634 0.10250000000 1.0000000000
635 })
636 (type: [(am = d puream = 1)]
637 {exp coef:0} = {
638 8.2530000000 1.0000000000
639 })
640 (type: [(am = d puream = 1)]
641 {exp coef:0} = {
642 3.5970000000 1.0000000000
643 })
644 (type: [(am = d puream = 1)]
645 {exp coef:0} = {
646 1.5680000000 1.0000000000
647 })
648 (type: [(am = d puream = 1)]
649 {exp coef:0} = {
650 0.68400000000 1.0000000000
651 })
652 (type: [(am = d puream = 1)]
653 {exp coef:0} = {
654 0.29800000000 1.0000000000
655 })
656 (type: [(am = f puream = 1)]
657 {exp coef:0} = {
658 5.4300000000 1.0000000000
659 })
660 (type: [(am = f puream = 1)]
661 {exp coef:0} = {
662 2.4160000000 1.0000000000
663 })
664 (type: [(am = f puream = 1)]
665 {exp coef:0} = {
666 1.0750000000 1.0000000000
667 })
668 (type: [(am = f puream = 1)]
669 {exp coef:0} = {
670 0.47800000000 1.0000000000
671 })
672 (type: [(am = g puream = 1)]
673 {exp coef:0} = {
674 5.2110000000 1.0000000000
675 })
676 (type: [(am = g puream = 1)]
677 {exp coef:0} = {
678 2.1900000000 1.0000000000
679 })
680 (type: [(am = g puream = 1)]
681 {exp coef:0} = {
682 0.92000000000 1.0000000000
683 })
684 (type: [(am = h puream = 1)]
685 {exp coef:0} = {
686 3.8720000000 1.0000000000
687 })
688 (type: [(am = h puream = 1)]
689 {exp coef:0} = {
690 1.5050000000 1.0000000000
691 })
692 (type: [(am = i puream = 1)]
693 {exp coef:0} = {
694 2.7730000000 1.0000000000
695 })
696 ]
697%
698% BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
699 fluorine: "cc-pV6Z": [
700 (type: [am = s am = s]
701 {exp coef:0 coef:1} = {
702 723500.00000 0.55600000000E-05 -0.12900000000E-05
703 108400.00000 0.43180000000E-04 -0.99900000000E-05
704 24680.000000 0.22700000000E-03 -0.52600000000E-04
705 6990.0000000 0.95803000000E-03 -0.22172000000E-03
706 2282.0000000 0.34701500000E-02 -0.80692000000E-03
707 824.60000000 0.11185260000E-01 -0.26081700000E-02
708 321.80000000 0.32328800000E-01 -0.76740200000E-02
709 133.50000000 0.82795450000E-01 -0.20193530000E-01
710 58.110000000 0.17988024000 -0.47187520000E-01
711 26.280000000 0.30557831000 -0.91580090000E-01
712 12.240000000 0.34026839000 -0.14048558000
713 })
714 (type: [am = s]
715 {exp coef:0} = {
716 5.7470000000 1.0000000000
717 })
718 (type: [am = s]
719 {exp coef:0} = {
720 2.3650000000 1.0000000000
721 })
722 (type: [am = s]
723 {exp coef:0} = {
724 1.0710000000 1.0000000000
725 })
726 (type: [am = s]
727 {exp coef:0} = {
728 0.46810000000 1.0000000000
729 })
730 (type: [am = s]
731 {exp coef:0} = {
732 0.19940000000 1.0000000000
733 })
734 (type: [am = p]
735 {exp coef:0} = {
736 660.00000000 0.17721000000E-03
737 156.40000000 0.15269100000E-02
738 50.640000000 0.80720700000E-02
739 19.080000000 0.30740210000E-01
740 7.8720000000 0.90119140000E-01
741 })
742 (type: [am = p]
743 {exp coef:0} = {
744 3.4490000000 1.0000000000
745 })
746 (type: [am = p]
747 {exp coef:0} = {
748 1.5450000000 1.0000000000
749 })
750 (type: [am = p]
751 {exp coef:0} = {
752 0.68640000000 1.0000000000
753 })
754 (type: [am = p]
755 {exp coef:0} = {
756 0.29860000000 1.0000000000
757 })
758 (type: [am = p]
759 {exp coef:0} = {
760 0.12450000000 1.0000000000
761 })
762 (type: [(am = d puream = 1)]
763 {exp coef:0} = {
764 10.573000000 1.0000000000
765 })
766 (type: [(am = d puream = 1)]
767 {exp coef:0} = {
768 4.6130000000 1.0000000000
769 })
770 (type: [(am = d puream = 1)]
771 {exp coef:0} = {
772 2.0130000000 1.0000000000
773 })
774 (type: [(am = d puream = 1)]
775 {exp coef:0} = {
776 0.87800000000 1.0000000000
777 })
778 (type: [(am = d puream = 1)]
779 {exp coef:0} = {
780 0.38300000000 1.0000000000
781 })
782 (type: [(am = f puream = 1)]
783 {exp coef:0} = {
784 7.5630000000 1.0000000000
785 })
786 (type: [(am = f puream = 1)]
787 {exp coef:0} = {
788 3.3300000000 1.0000000000
789 })
790 (type: [(am = f puream = 1)]
791 {exp coef:0} = {
792 1.4660000000 1.0000000000
793 })
794 (type: [(am = f puream = 1)]
795 {exp coef:0} = {
796 0.64500000000 1.0000000000
797 })
798 (type: [(am = g puream = 1)]
799 {exp coef:0} = {
800 6.7350000000 1.0000000000
801 })
802 (type: [(am = g puream = 1)]
803 {exp coef:0} = {
804 2.7830000000 1.0000000000
805 })
806 (type: [(am = g puream = 1)]
807 {exp coef:0} = {
808 1.1500000000 1.0000000000
809 })
810 (type: [(am = h puream = 1)]
811 {exp coef:0} = {
812 5.0880000000 1.0000000000
813 })
814 (type: [(am = h puream = 1)]
815 {exp coef:0} = {
816 1.9370000000 1.0000000000
817 })
818 (type: [(am = i puream = 1)]
819 {exp coef:0} = {
820 3.5810000000 1.0000000000
821 })
822 ]
823%
824% BASIS SET: (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
825 neon: "cc-pV6Z": [
826 (type: [am = s am = s]
827 {exp coef:0 coef:1} = {
828 902400.00000 0.55100000000E-05 -0.12900000000E-05
829 135100.00000 0.42820000000E-04 -0.10050000000E-04
830 30750.000000 0.22514000000E-03 -0.52930000000E-04
831 8710.0000000 0.95016000000E-03 -0.22312000000E-03
832 2842.0000000 0.34471900000E-02 -0.81338000000E-03
833 1026.0000000 0.11125450000E-01 -0.26323000000E-02
834 400.10000000 0.32205680000E-01 -0.77591000000E-02
835 165.90000000 0.82598910000E-01 -0.20452770000E-01
836 72.210000000 0.17990564000 -0.47975050000E-01
837 32.660000000 0.30605208000 -0.93400860000E-01
838 15.220000000 0.34012559000 -0.14277215000
839 })
840 (type: [am = s]
841 {exp coef:0} = {
842 7.1490000000 1.0000000000
843 })
844 (type: [am = s]
845 {exp coef:0} = {
846 2.9570000000 1.0000000000
847 })
848 (type: [am = s]
849 {exp coef:0} = {
850 1.3350000000 1.0000000000
851 })
852 (type: [am = s]
853 {exp coef:0} = {
854 0.58160000000 1.0000000000
855 })
856 (type: [am = s]
857 {exp coef:0} = {
858 0.24630000000 1.0000000000
859 })
860 (type: [am = p]
861 {exp coef:0} = {
862 815.60000000 0.18376000000E-03
863 193.30000000 0.15850900000E-02
864 62.600000000 0.84146400000E-02
865 23.610000000 0.32200330000E-01
866 9.7620000000 0.93963900000E-01
867 })
868 (type: [am = p]
869 {exp coef:0} = {
870 4.2810000000 1.0000000000
871 })
872 (type: [am = p]
873 {exp coef:0} = {
874 1.9150000000 1.0000000000
875 })
876 (type: [am = p]
877 {exp coef:0} = {
878 0.84760000000 1.0000000000
879 })
880 (type: [am = p]
881 {exp coef:0} = {
882 0.36600000000 1.0000000000
883 })
884 (type: [am = p]
885 {exp coef:0} = {
886 0.15100000000 1.0000000000
887 })
888 (type: [(am = d puream = 1)]
889 {exp coef:0} = {
890 13.317000000 1.0000000000
891 })
892 (type: [(am = d puream = 1)]
893 {exp coef:0} = {
894 5.8030000000 1.0000000000
895 })
896 (type: [(am = d puream = 1)]
897 {exp coef:0} = {
898 2.5290000000 1.0000000000
899 })
900 (type: [(am = d puream = 1)]
901 {exp coef:0} = {
902 1.1020000000 1.0000000000
903 })
904 (type: [(am = d puream = 1)]
905 {exp coef:0} = {
906 0.48000000000 1.0000000000
907 })
908 (type: [(am = f puream = 1)]
909 {exp coef:0} = {
910 10.356000000 1.0000000000
911 })
912 (type: [(am = f puream = 1)]
913 {exp coef:0} = {
914 4.5380000000 1.0000000000
915 })
916 (type: [(am = f puream = 1)]
917 {exp coef:0} = {
918 1.9890000000 1.0000000000
919 })
920 (type: [(am = f puream = 1)]
921 {exp coef:0} = {
922 0.87100000000 1.0000000000
923 })
924 (type: [(am = g puream = 1)]
925 {exp coef:0} = {
926 8.3450000000 1.0000000000
927 })
928 (type: [(am = g puream = 1)]
929 {exp coef:0} = {
930 3.4170000000 1.0000000000
931 })
932 (type: [(am = g puream = 1)]
933 {exp coef:0} = {
934 1.3990000000 1.0000000000
935 })
936 (type: [(am = h puream = 1)]
937 {exp coef:0} = {
938 6.5190000000 1.0000000000
939 })
940 (type: [(am = h puream = 1)]
941 {exp coef:0} = {
942 2.4470000000 1.0000000000
943 })
944 (type: [(am = i puream = 1)]
945 {exp coef:0} = {
946 4.4890000000 1.0000000000
947 })
948 ]
949 aluminum: "cc-pV6Z": [
950 (type: [am = s am = s am = s]
951 {exp coef:0 coef:1 coef:2} = {
952 3652000.0000 0.19000000000E-05 -0.50000000000E-06 0.10000000000E-06
953 546800.00000 0.14500000000E-04 -0.38000000000E-05 0.90000000000E-06
954 124500.00000 0.76200000000E-04 -0.19800000000E-04 0.46000000000E-05
955 35440.000000 0.31580000000E-03 -0.82100000000E-04 0.19000000000E-04
956 11840.000000 0.10974000000E-02 -0.28580000000E-03 0.65900000000E-04
957 4434.0000000 0.33697000000E-02 -0.87850000000E-03 0.20310000000E-03
958 1812.0000000 0.93222000000E-02 -0.24482000000E-02 0.56470000000E-03
959 791.50000000 0.23799200000E-01 -0.63100000000E-02 0.14620000000E-02
960 361.00000000 0.56819100000E-01 -0.15485400000E-01 0.35794000000E-02
961 169.50000000 0.12246800000 -0.34958900000E-01 0.81516000000E-02
962 81.680000000 0.22389700000 -0.70772900000E-01 0.16527600000E-01
963 40.280000000 0.31344600000 -0.11942300000 0.28546700000E-01
964 20.250000000 0.27497500000 -0.14884200000 0.36148400000E-01
965 10.230000000 0.11056400000 -0.59046500000E-01 0.15380400000E-01
966 4.8020000000 0.11921500000E-01 0.21669300000 -0.61214100000E-01
967 2.3390000000 0.65280000000E-03 0.47655700000 -0.15126300000
968 })
969 (type: [am = s]
970 {exp coef:0} = {
971 1.1630000000 1.0000000000
972 })
973 (type: [am = s]
974 {exp coef:0} = {
975 0.58820000000 1.0000000000
976 })
977 (type: [am = s]
978 {exp coef:0} = {
979 0.23110000000 1.0000000000
980 })
981 (type: [am = s]
982 {exp coef:0} = {
983 0.10270000000 1.0000000000
984 })
985 (type: [am = s]
986 {exp coef:0} = {
987 0.45210000000E-01 1.0000000000
988 })
989 (type: [am = p am = p]
990 {exp coef:0 coef:1} = {
991 2884.0000000 0.63800000000E-04 -0.80000000000E-05
992 683.20000000 0.56310000000E-03 -0.65100000000E-04
993 222.00000000 0.31691000000E-02 -0.39990000000E-03
994 84.820000000 0.13240100000E-01 -0.15369000000E-02
995 35.810000000 0.43340300000E-01 -0.55644000000E-02
996 16.220000000 0.11195000000 -0.13110600000E-01
997 7.7020000000 0.21779600000 -0.29720000000E-01
998 3.7410000000 0.31167500000 -0.34719500000E-01
999 1.8310000000 0.31672200000 -0.55162100000E-01
1000 })
1001 (type: [am = p]
1002 {exp coef:0} = {
1003 0.88780000000 1.0000000000
1004 })
1005 (type: [am = p]
1006 {exp coef:0} = {
1007 0.39890000000 1.0000000000
1008 })
1009 (type: [am = p]
1010 {exp coef:0} = {
1011 0.17180000000 1.0000000000
1012 })
1013 (type: [am = p]
1014 {exp coef:0} = {
1015 0.72980000000E-01 1.0000000000
1016 })
1017 (type: [am = p]
1018 {exp coef:0} = {
1019 0.30690000000E-01 1.0000000000
1020 })
1021 (type: [(am = d puream = 1)]
1022 {exp coef:0} = {
1023 2.2143000000 1.0000000000
1024 })
1025 (type: [(am = d puream = 1)]
1026 {exp coef:0} = {
1027 0.94490000000 1.0000000000
1028 })
1029 (type: [(am = d puream = 1)]
1030 {exp coef:0} = {
1031 0.40320000000 1.0000000000
1032 })
1033 (type: [(am = d puream = 1)]
1034 {exp coef:0} = {
1035 0.17210000000 1.0000000000
1036 })
1037 (type: [(am = d puream = 1)]
1038 {exp coef:0} = {
1039 0.73430000000E-01 1.0000000000
1040 })
1041 (type: [(am = f puream = 1)]
1042 {exp coef:0} = {
1043 0.87560000000 1.0000000000
1044 })
1045 (type: [(am = f puream = 1)]
1046 {exp coef:0} = {
1047 0.44720000000 1.0000000000
1048 })
1049 (type: [(am = f puream = 1)]
1050 {exp coef:0} = {
1051 0.22840000000 1.0000000000
1052 })
1053 (type: [(am = f puream = 1)]
1054 {exp coef:0} = {
1055 0.11670000000 1.0000000000
1056 })
1057 (type: [(am = g puream = 1)]
1058 {exp coef:0} = {
1059 0.69520000000 1.0000000000
1060 })
1061 (type: [(am = g puream = 1)]
1062 {exp coef:0} = {
1063 0.37710000000 1.0000000000
1064 })
1065 (type: [(am = g puream = 1)]
1066 {exp coef:0} = {
1067 0.20460000000 1.0000000000
1068 })
1069 (type: [(am = h puream = 1)]
1070 {exp coef:0} = {
1071 0.65600000000 1.0000000000
1072 })
1073 (type: [(am = h puream = 1)]
1074 {exp coef:0} = {
1075 0.33000000000 1.0000000000
1076 })
1077 (type: [(am = i puream = 1)]
1078 {exp coef:0} = {
1079 0.53020000000 1.0000000000
1080 })
1081 ]
1082%
1083% BASIS SET: (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i]
1084 silicon: "cc-pV6Z": [
1085 (type: [am = s am = s am = s]
1086 {exp coef:0 coef:1 coef:2} = {
1087 4465000.0000 0.17000000000E-05 -0.50000000000E-06 0.10000000000E-06
1088 668500.00000 0.13600000000E-04 -0.36000000000E-05 0.90000000000E-06
1089 152200.00000 0.71400000000E-04 -0.19000000000E-04 0.49000000000E-05
1090 43300.000000 0.29730000000E-03 -0.79100000000E-04 0.20300000000E-04
1091 14410.000000 0.10383000000E-02 -0.27690000000E-03 0.70900000000E-04
1092 5394.0000000 0.31747000000E-02 -0.84720000000E-03 0.21720000000E-03
1093 2212.0000000 0.87324000000E-02 -0.23478000000E-02 0.60130000000E-03
1094 968.10000000 0.22383000000E-01 -0.60705000000E-02 0.15591000000E-02
1095 441.20000000 0.53727300000E-01 -0.14971100000E-01 0.38443000000E-02
1096 207.10000000 0.11664900000 -0.33972900000E-01 0.87797000000E-02
1097 99.800000000 0.21597800000 -0.69458400000E-01 0.18038800000E-01
1098 49.240000000 0.30956600000 -0.11900100000 0.31522400000E-01
1099 24.740000000 0.28394500000 -0.15364500000 0.41690500000E-01
1100 12.470000000 0.12223200000 -0.70468400000E-01 0.20097300000E-01
1101 5.7950000000 0.14195200000E-01 0.21314900000 -0.66748400000E-01
1102 2.8300000000 0.31210000000E-03 0.49159600000 -0.18190600000
1103 })
1104 (type: [am = s]
1105 {exp coef:0} = {
1106 1.4070000000 1.0000000000
1107 })
1108 (type: [am = s]
1109 {exp coef:0} = {
1110 0.69950000000 1.0000000000
1111 })
1112 (type: [am = s]
1113 {exp coef:0} = {
1114 0.30830000000 1.0000000000
1115 })
1116 (type: [am = s]
1117 {exp coef:0} = {
1118 0.13850000000 1.0000000000
1119 })
1120 (type: [am = s]
1121 {exp coef:0} = {
1122 0.61450000000E-01 1.0000000000
1123 })
1124 (type: [am = p am = p]
1125 {exp coef:0 coef:1} = {
1126 3572.0000000 0.59900000000E-04 -0.12800000000E-04
1127 846.00000000 0.52960000000E-03 -0.11260000000E-03
1128 274.80000000 0.29958000000E-02 -0.64020000000E-03
1129 105.00000000 0.12633500000E-01 -0.27029000000E-02
1130 44.350000000 0.41904400000E-01 -0.90789000000E-02
1131 20.080000000 0.11025900000 -0.24234800000E-01
1132 9.5300000000 0.21883100000 -0.49346000000E-01
1133 4.6340000000 0.31782800000 -0.72585900000E-01
1134 2.2800000000 0.31942500000 -0.80425800000E-01
1135 })
1136 (type: [am = p]
1137 {exp coef:0} = {
1138 1.1160000000 1.0000000000
1139 })
1140 (type: [am = p]
1141 {exp coef:0} = {
1142 0.49910000000 1.0000000000
1143 })
1144 (type: [am = p]
1145 {exp coef:0} = {
1146 0.22540000000 1.0000000000
1147 })
1148 (type: [am = p]
1149 {exp coef:0} = {
1150 0.10010000000 1.0000000000
1151 })
1152 (type: [am = p]
1153 {exp coef:0} = {
1154 0.43320000000E-01 1.0000000000
1155 })
1156 (type: [(am = d puream = 1)]
1157 {exp coef:0} = {
1158 3.2386000000 1.0000000000
1159 })
1160 (type: [(am = d puream = 1)]
1161 {exp coef:0} = {
1162 1.3767000000 1.0000000000
1163 })
1164 (type: [(am = d puream = 1)]
1165 {exp coef:0} = {
1166 0.58530000000 1.0000000000
1167 })
1168 (type: [(am = d puream = 1)]
1169 {exp coef:0} = {
1170 0.24880000000 1.0000000000
1171 })
1172 (type: [(am = d puream = 1)]
1173 {exp coef:0} = {
1174 0.10580000000 1.0000000000
1175 })
1176 (type: [(am = f puream = 1)]
1177 {exp coef:0} = {
1178 1.3510000000 1.0000000000
1179 })
1180 (type: [(am = f puream = 1)]
1181 {exp coef:0} = {
1182 0.66000000000 1.0000000000
1183 })
1184 (type: [(am = f puream = 1)]
1185 {exp coef:0} = {
1186 0.32250000000 1.0000000000
1187 })
1188 (type: [(am = f puream = 1)]
1189 {exp coef:0} = {
1190 0.15750000000 1.0000000000
1191 })
1192 (type: [(am = g puream = 1)]
1193 {exp coef:0} = {
1194 0.85280000000 1.0000000000
1195 })
1196 (type: [(am = g puream = 1)]
1197 {exp coef:0} = {
1198 0.46310000000 1.0000000000
1199 })
1200 (type: [(am = g puream = 1)]
1201 {exp coef:0} = {
1202 0.25150000000 1.0000000000
1203 })
1204 (type: [(am = h puream = 1)]
1205 {exp coef:0} = {
1206 0.85570000000 1.0000000000
1207 })
1208 (type: [(am = h puream = 1)]
1209 {exp coef:0} = {
1210 0.42310000000 1.0000000000
1211 })
1212 (type: [(am = i puream = 1)]
1213 {exp coef:0} = {
1214 0.69460000000 1.0000000000
1215 })
1216 ]
1217%
1218% BASIS SET: (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i]
1219 phosphorus: "cc-pV6Z": [
1220 (type: [am = s am = s am = s]
1221 {exp coef:0 coef:1 coef:2} = {
1222 5384000.0000 0.16000000000E-05 -0.40000000000E-06 0.10000000000E-06
1223 806200.00000 0.12800000000E-04 -0.35000000000E-05 0.10000000000E-05
1224 183600.00000 0.67200000000E-04 -0.18300000000E-04 0.50000000000E-05
1225 52250.000000 0.27970000000E-03 -0.75900000000E-04 0.20900000000E-04
1226 17390.000000 0.97670000000E-03 -0.26570000000E-03 0.73000000000E-04
1227 6523.0000000 0.29684000000E-02 -0.80800000000E-03 0.22210000000E-03
1228 2687.0000000 0.81240000000E-02 -0.22273000000E-02 0.61220000000E-03
1229 1178.0000000 0.20920000000E-01 -0.57833000000E-02 0.15918000000E-02
1230 536.20000000 0.50559000000E-01 -0.14343800000E-01 0.39534000000E-02
1231 251.50000000 0.11047900000 -0.32706100000E-01 0.90572000000E-02
1232 121.30000000 0.20695700000 -0.67371600000E-01 0.18790900000E-01
1233 59.880000000 0.30473700000 -0.11764700000 0.33383100000E-01
1234 30.050000000 0.29295200000 -0.15728000000 0.45948400000E-01
1235 15.120000000 0.13556100000 -0.83854400000E-01 0.25524000000E-01
1236 7.0100000000 0.17320800000E-01 0.19971800000 -0.66949600000E-01
1237 3.4410000000 -0.35200000000E-04 0.49860500000 -0.20364500000
1238 })
1239 (type: [am = s]
1240 {exp coef:0} = {
1241 1.7120000000 1.0000000000
1242 })
1243 (type: [am = s]
1244 {exp coef:0} = {
1245 0.83370000000 1.0000000000
1246 })
1247 (type: [am = s]
1248 {exp coef:0} = {
1249 0.39120000000 1.0000000000
1250 })
1251 (type: [am = s]
1252 {exp coef:0} = {
1253 0.17770000000 1.0000000000
1254 })
1255 (type: [am = s]
1256 {exp coef:0} = {
1257 0.79390000000E-01 1.0000000000
1258 })
1259 (type: [am = p am = p]
1260 {exp coef:0 coef:1} = {
1261 4552.0000000 0.52000000000E-04 -0.12400000000E-04
1262 1078.0000000 0.46040000000E-03 -0.10940000000E-03
1263 350.10000000 0.26208000000E-02 -0.62560000000E-03
1264 133.80000000 0.11187300000E-01 -0.26734000000E-02
1265 56.520000000 0.37822900000E-01 -0.91552000000E-02
1266 25.580000000 0.10211600000 -0.25099300000E-01
1267 12.140000000 0.21031400000 -0.53181000000E-01
1268 5.9020000000 0.31738300000 -0.81588800000E-01
1269 2.9100000000 0.32716500000 -0.91972500000E-01
1270 })
1271 (type: [am = p]
1272 {exp coef:0} = {
1273 1.4350000000 1.0000000000
1274 })
1275 (type: [am = p]
1276 {exp coef:0} = {
1277 0.65700000000 1.0000000000
1278 })
1279 (type: [am = p]
1280 {exp coef:0} = {
1281 0.30050000000 1.0000000000
1282 })
1283 (type: [am = p]
1284 {exp coef:0} = {
1285 0.13400000000 1.0000000000
1286 })
1287 (type: [am = p]
1288 {exp coef:0} = {
1289 0.57830000000E-01 1.0000000000
1290 })
1291 (type: [(am = d puream = 1)]
1292 {exp coef:0} = {
1293 4.3008000000 1.0000000000
1294 })
1295 (type: [(am = d puream = 1)]
1296 {exp coef:0} = {
1297 1.8346000000 1.0000000000
1298 })
1299 (type: [(am = d puream = 1)]
1300 {exp coef:0} = {
1301 0.78260000000 1.0000000000
1302 })
1303 (type: [(am = d puream = 1)]
1304 {exp coef:0} = {
1305 0.33390000000 1.0000000000
1306 })
1307 (type: [(am = d puream = 1)]
1308 {exp coef:0} = {
1309 0.14240000000 1.0000000000
1310 })
1311 (type: [(am = f puream = 1)]
1312 {exp coef:0} = {
1313 1.8160000000 1.0000000000
1314 })
1315 (type: [(am = f puream = 1)]
1316 {exp coef:0} = {
1317 0.88060000000 1.0000000000
1318 })
1319 (type: [(am = f puream = 1)]
1320 {exp coef:0} = {
1321 0.42700000000 1.0000000000
1322 })
1323 (type: [(am = f puream = 1)]
1324 {exp coef:0} = {
1325 0.20700000000 1.0000000000
1326 })
1327 (type: [(am = g puream = 1)]
1328 {exp coef:0} = {
1329 1.0616000000 1.0000000000
1330 })
1331 (type: [(am = g puream = 1)]
1332 {exp coef:0} = {
1333 0.57910000000 1.0000000000
1334 })
1335 (type: [(am = g puream = 1)]
1336 {exp coef:0} = {
1337 0.31590000000 1.0000000000
1338 })
1339 (type: [(am = h puream = 1)]
1340 {exp coef:0} = {
1341 1.0850000000 1.0000000000
1342 })
1343 (type: [(am = h puream = 1)]
1344 {exp coef:0} = {
1345 0.52770000000 1.0000000000
1346 })
1347 (type: [(am = i puream = 1)]
1348 {exp coef:0} = {
1349 0.88900000000 1.0000000000
1350 })
1351 ]
1352%
1353% BASIS SET: (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i]
1354 sulfur: "cc-pV6Z": [
1355 (type: [am = s am = s am = s]
1356 {exp coef:0 coef:1 coef:2} = {
1357 6297000.0000 0.16000000000E-05 -0.40000000000E-06 0.10000000000E-06
1358 943100.00000 0.12400000000E-04 -0.34000000000E-05 0.10000000000E-05
1359 214900.00000 0.64900000000E-04 -0.17900000000E-04 0.52000000000E-05
1360 61250.000000 0.26930000000E-03 -0.74400000000E-04 0.21600000000E-04
1361 20450.000000 0.93470000000E-03 -0.25870000000E-03 0.75100000000E-04
1362 7719.0000000 0.28083000000E-02 -0.77770000000E-03 0.22580000000E-03
1363 3198.0000000 0.76740000000E-02 -0.21396000000E-02 0.62170000000E-03
1364 1402.0000000 0.19889800000E-01 -0.55906000000E-02 0.16251000000E-02
1365 637.20000000 0.48258900000E-01 -0.13907600000E-01 0.40535000000E-02
1366 298.90000000 0.10575700000 -0.31768900000E-01 0.92902000000E-02
1367 144.30000000 0.20022300000 -0.65930200000E-01 0.19456100000E-01
1368 71.210000000 0.30072800000 -0.11683200000 0.35004000000E-01
1369 35.730000000 0.29868800000 -0.15978700000 0.49489700000E-01
1370 17.970000000 0.14634700000 -0.94532200000E-01 0.30344300000E-01
1371 8.3410000000 0.20115900000E-01 0.18782800000 -0.66366100000E-01
1372 4.1120000000 -0.24880000000E-03 0.50468300000 -0.22315400000
1373 })
1374 (type: [am = s]
1375 {exp coef:0} = {
1376 2.0450000000 1.0000000000
1377 })
1378 (type: [am = s]
1379 {exp coef:0} = {
1380 0.97700000000 1.0000000000
1381 })
1382 (type: [am = s]
1383 {exp coef:0} = {
1384 0.47660000000 1.0000000000
1385 })
1386 (type: [am = s]
1387 {exp coef:0} = {
1388 0.21850000000 1.0000000000
1389 })
1390 (type: [am = s]
1391 {exp coef:0} = {
1392 0.97590000000E-01 1.0000000000
1393 })
1394 (type: [am = p am = p]
1395 {exp coef:0 coef:1} = {
1396 5266.0000000 0.52300000000E-04 -0.13300000000E-04
1397 1247.0000000 0.46350000000E-03 -0.11790000000E-03
1398 405.00000000 0.26410000000E-02 -0.67590000000E-03
1399 154.80000000 0.11316900000E-01 -0.28973000000E-02
1400 65.380000000 0.38470400000E-01 -0.99980000000E-02
1401 29.590000000 0.10433900000 -0.27541600000E-01
1402 14.040000000 0.21568400000 -0.58794300000E-01
1403 6.8240000000 0.32526000000 -0.90376100000E-01
1404 3.3690000000 0.32617800000 -0.99989100000E-01
1405 })
1406 (type: [am = p]
1407 {exp coef:0} = {
1408 1.6660000000 1.0000000000
1409 })
1410 (type: [am = p]
1411 {exp coef:0} = {
1412 0.76810000000 1.0000000000
1413 })
1414 (type: [am = p]
1415 {exp coef:0} = {
1416 0.35040000000 1.0000000000
1417 })
1418 (type: [am = p]
1419 {exp coef:0} = {
1420 0.15560000000 1.0000000000
1421 })
1422 (type: [am = p]
1423 {exp coef:0} = {
1424 0.66810000000E-01 1.0000000000
1425 })
1426 (type: [(am = d puream = 1)]
1427 {exp coef:0} = {
1428 5.0755000000 1.0000000000
1429 })
1430 (type: [(am = d puream = 1)]
1431 {exp coef:0} = {
1432 2.1833000000 1.0000000000
1433 })
1434 (type: [(am = d puream = 1)]
1435 {exp coef:0} = {
1436 0.93920000000 1.0000000000
1437 })
1438 (type: [(am = d puream = 1)]
1439 {exp coef:0} = {
1440 0.40400000000 1.0000000000
1441 })
1442 (type: [(am = d puream = 1)]
1443 {exp coef:0} = {
1444 0.17380000000 1.0000000000
1445 })
1446 (type: [(am = f puream = 1)]
1447 {exp coef:0} = {
1448 1.3222000000 1.0000000000
1449 })
1450 (type: [(am = f puream = 1)]
1451 {exp coef:0} = {
1452 0.73190000000 1.0000000000
1453 })
1454 (type: [(am = f puream = 1)]
1455 {exp coef:0} = {
1456 0.40510000000 1.0000000000
1457 })
1458 (type: [(am = f puream = 1)]
1459 {exp coef:0} = {
1460 0.22430000000 1.0000000000
1461 })
1462 (type: [(am = g puream = 1)]
1463 {exp coef:0} = {
1464 1.3473000000 1.0000000000
1465 })
1466 (type: [(am = g puream = 1)]
1467 {exp coef:0} = {
1468 0.70090000000 1.0000000000
1469 })
1470 (type: [(am = g puream = 1)]
1471 {exp coef:0} = {
1472 0.36470000000 1.0000000000
1473 })
1474 (type: [(am = h puream = 1)]
1475 {exp coef:0} = {
1476 1.2861000000 1.0000000000
1477 })
1478 (type: [(am = h puream = 1)]
1479 {exp coef:0} = {
1480 0.61150000000 1.0000000000
1481 })
1482 (type: [(am = i puream = 1)]
1483 {exp coef:0} = {
1484 1.0409000000 1.0000000000
1485 })
1486 ]
1487%
1488% BASIS SET: (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i]
1489 chlorine: "cc-pV6Z": [
1490 (type: [am = s am = s am = s]
1491 {exp coef:0 coef:1 coef:2} = {
1492 7733000.0000 0.14347400000E-05 -0.40222700000E-06 0.12169600000E-06
1493 1158000.0000 0.11148600000E-04 -0.31244800000E-05 0.94514100000E-06
1494 263700.00000 0.58586500000E-04 -0.16429000000E-04 0.49711900000E-05
1495 75010.000000 0.24451800000E-03 -0.68542100000E-04 0.20732300000E-04
1496 24890.000000 0.85828700000E-03 -0.24100100000E-03 0.72940200000E-04
1497 9318.0000000 0.26101900000E-02 -0.73353800000E-03 0.22189900000E-03
1498 3840.0000000 0.71378400000E-02 -0.20183000000E-02 0.61135500000E-03
1499 1684.0000000 0.18456400000E-01 -0.52610700000E-02 0.15933700000E-02
1500 766.30000000 0.44894400000E-01 -0.13098600000E-01 0.39800100000E-02
1501 359.50000000 0.99382200000E-01 -0.30179400000E-01 0.91937500000E-02
1502 173.40000000 0.19078200000 -0.63188800000E-01 0.19439900000E-01
1503 85.610000000 0.29356500000 -0.11385900000 0.35518700000E-01
1504 42.930000000 0.30647700000 -0.16125100000 0.52067400000E-01
1505 21.550000000 0.16220900000 -0.10923400000 0.36564400000E-01
1506 10.050000000 0.24938300000E-01 0.16299900000 -0.59750000000E-01
1507 4.9780000000 -0.51314200000E-03 0.50141300000 -0.23164100000
1508 })
1509 (type: [am = s]
1510 {exp coef:0} = {
1511 2.4780000000 1.0000000000
1512 })
1513 (type: [am = s]
1514 {exp coef:0} = {
1515 1.1800000000 1.0000000000
1516 })
1517 (type: [am = s]
1518 {exp coef:0} = {
1519 0.58280000000 1.0000000000
1520 })
1521 (type: [am = s]
1522 {exp coef:0} = {
1523 0.26680000000 1.0000000000
1524 })
1525 (type: [am = s]
1526 {exp coef:0} = {
1527 0.11830000000 1.0000000000
1528 })
1529 (type: [am = p am = p]
1530 {exp coef:0 coef:1} = {
1531 6091.0000000 0.51619400000E-04 -0.13925900000E-04
1532 1442.0000000 0.45846800000E-03 -0.12332400000E-03
1533 468.30000000 0.26150900000E-02 -0.70755100000E-03
1534 179.00000000 0.11255400000E-01 -0.30493900000E-02
1535 75.610000000 0.38457700000E-01 -0.10575200000E-01
1536 34.220000000 0.10508100000 -0.29409400000E-01
1537 16.230000000 0.21860300000 -0.63229600000E-01
1538 7.8900000000 0.33087400000 -0.98187000000E-01
1539 3.8980000000 0.32587900000 -0.10587000000
1540 })
1541 (type: [am = p]
1542 {exp coef:0} = {
1543 1.9330000000 1.0000000000
1544 })
1545 (type: [am = p]
1546 {exp coef:0} = {
1547 0.90570000000 1.0000000000
1548 })
1549 (type: [am = p]
1550 {exp coef:0} = {
1551 0.41400000000 1.0000000000
1552 })
1553 (type: [am = p]
1554 {exp coef:0} = {
1555 0.18360000000 1.0000000000
1556 })
1557 (type: [am = p]
1558 {exp coef:0} = {
1559 0.78590000000E-01 1.0000000000
1560 })
1561 (type: [(am = d puream = 1)]
1562 {exp coef:0} = {
1563 6.2428000000 1.0000000000
1564 })
1565 (type: [(am = d puream = 1)]
1566 {exp coef:0} = {
1567 2.6906000000 1.0000000000
1568 })
1569 (type: [(am = d puream = 1)]
1570 {exp coef:0} = {
1571 1.1596000000 1.0000000000
1572 })
1573 (type: [(am = d puream = 1)]
1574 {exp coef:0} = {
1575 0.49980000000 1.0000000000
1576 })
1577 (type: [(am = d puream = 1)]
1578 {exp coef:0} = {
1579 0.21540000000 1.0000000000
1580 })
1581 (type: [(am = f puream = 1)]
1582 {exp coef:0} = {
1583 2.5327000000 1.0000000000
1584 })
1585 (type: [(am = f puream = 1)]
1586 {exp coef:0} = {
1587 1.2406000000 1.0000000000
1588 })
1589 (type: [(am = f puream = 1)]
1590 {exp coef:0} = {
1591 0.60770000000 1.0000000000
1592 })
1593 (type: [(am = f puream = 1)]
1594 {exp coef:0} = {
1595 0.29770000000 1.0000000000
1596 })
1597 (type: [(am = g puream = 1)]
1598 {exp coef:0} = {
1599 1.5388000000 1.0000000000
1600 })
1601 (type: [(am = g puream = 1)]
1602 {exp coef:0} = {
1603 0.80500000000 1.0000000000
1604 })
1605 (type: [(am = g puream = 1)]
1606 {exp coef:0} = {
1607 0.42120000000 1.0000000000
1608 })
1609 (type: [(am = h puream = 1)]
1610 {exp coef:0} = {
1611 1.5613000000 1.0000000000
1612 })
1613 (type: [(am = h puream = 1)]
1614 {exp coef:0} = {
1615 0.73970000000 1.0000000000
1616 })
1617 (type: [(am = i puream = 1)]
1618 {exp coef:0} = {
1619 1.2572000000 1.0000000000
1620 })
1621 ]
1622%
1623% BASIS SET: (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i]
1624 argon: "cc-pV6Z": [
1625 (type: [am = s am = s am = s]
1626 {exp coef:0 coef:1 coef:2} = {
1627 9149000.0000 0.13000000000E-05 -0.40000000000E-06 0.10000000000E-06
1628 1370000.0000 0.10400000000E-04 -0.30000000000E-05 0.90000000000E-06
1629 311900.00000 0.54900000000E-04 -0.15600000000E-04 0.49000000000E-05
1630 88650.000000 0.22960000000E-03 -0.65200000000E-04 0.20400000000E-04
1631 29330.000000 0.81030000000E-03 -0.23040000000E-03 0.72000000000E-04
1632 10930.000000 0.24853000000E-02 -0.70750000000E-03 0.22100000000E-03
1633 4480.0000000 0.68369000000E-02 -0.19573000000E-02 0.61250000000E-03
1634 1962.0000000 0.17619900000E-01 -0.50856000000E-02 0.15908000000E-02
1635 894.10000000 0.42875200000E-01 -0.12652800000E-01 0.39722000000E-02
1636 419.60000000 0.95485300000E-01 -0.29306500000E-01 0.92204000000E-02
1637 202.30000000 0.18506400000 -0.61771200000E-01 0.19636700000E-01
1638 99.840000000 0.28904200000 -0.11254100000 0.36257000000E-01
1639 50.070000000 0.31016600000 -0.16229300000 0.54172500000E-01
1640 25.140000000 0.17218300000 -0.11841200000 0.40999600000E-01
1641 11.810000000 0.28522700000E-01 0.14614800000 -0.55174400000E-01
1642 5.8820000000 -0.57570000000E-03 0.49775200000 -0.23875400000
1643 })
1644 (type: [am = s]
1645 {exp coef:0} = {
1646 2.9390000000 1.0000000000
1647 })
1648 (type: [am = s]
1649 {exp coef:0} = {
1650 1.4050000000 1.0000000000
1651 })
1652 (type: [am = s]
1653 {exp coef:0} = {
1654 0.69630000000 1.0000000000
1655 })
1656 (type: [am = s]
1657 {exp coef:0} = {
1658 0.31880000000 1.0000000000
1659 })
1660 (type: [am = s]
1661 {exp coef:0} = {
1662 0.14100000000 1.0000000000
1663 })
1664 (type: [am = p am = p]
1665 {exp coef:0 coef:1} = {
1666 7050.0000000 0.50200000000E-04 -0.14000000000E-04
1667 1669.0000000 0.44540000000E-03 -0.12430000000E-03
1668 542.10000000 0.25480000000E-02 -0.71470000000E-03
1669 207.10000000 0.11015500000E-01 -0.30968000000E-02
1670 87.520000000 0.37849000000E-01 -0.10796100000E-01
1671 39.610000000 0.10435500000 -0.30353600000E-01
1672 18.780000000 0.21933500000 -0.65978500000E-01
1673 9.1300000000 0.33461500000 -0.10387700000
1674 4.5160000000 0.32677100000 -0.10995600000
1675 })
1676 (type: [am = p]
1677 {exp coef:0} = {
1678 2.2450000000 1.0000000000
1679 })
1680 (type: [am = p]
1681 {exp coef:0} = {
1682 1.0650000000 1.0000000000
1683 })
1684 (type: [am = p]
1685 {exp coef:0} = {
1686 0.48850000000 1.0000000000
1687 })
1688 (type: [am = p]
1689 {exp coef:0} = {
1690 0.21660000000 1.0000000000
1691 })
1692 (type: [am = p]
1693 {exp coef:0} = {
1694 0.92550000000E-01 1.0000000000
1695 })
1696 (type: [(am = d puream = 1)]
1697 {exp coef:0} = {
1698 7.6327000000 1.0000000000
1699 })
1700 (type: [(am = d puream = 1)]
1701 {exp coef:0} = {
1702 3.2876000000 1.0000000000
1703 })
1704 (type: [(am = d puream = 1)]
1705 {exp coef:0} = {
1706 1.4160000000 1.0000000000
1707 })
1708 (type: [(am = d puream = 1)]
1709 {exp coef:0} = {
1710 0.60990000000 1.0000000000
1711 })
1712 (type: [(am = d puream = 1)]
1713 {exp coef:0} = {
1714 0.26270000000 1.0000000000
1715 })
1716 (type: [(am = f puream = 1)]
1717 {exp coef:0} = {
1718 3.0582000000 1.0000000000
1719 })
1720 (type: [(am = f puream = 1)]
1721 {exp coef:0} = {
1722 1.5292000000 1.0000000000
1723 })
1724 (type: [(am = f puream = 1)]
1725 {exp coef:0} = {
1726 0.76470000000 1.0000000000
1727 })
1728 (type: [(am = f puream = 1)]
1729 {exp coef:0} = {
1730 0.38240000000 1.0000000000
1731 })
1732 (type: [(am = g puream = 1)]
1733 {exp coef:0} = {
1734 1.8450000000 1.0000000000
1735 })
1736 (type: [(am = g puream = 1)]
1737 {exp coef:0} = {
1738 0.96570000000 1.0000000000
1739 })
1740 (type: [(am = g puream = 1)]
1741 {exp coef:0} = {
1742 0.50550000000 1.0000000000
1743 })
1744 (type: [(am = h puream = 1)]
1745 {exp coef:0} = {
1746 1.8743000000 1.0000000000
1747 })
1748 (type: [(am = h puream = 1)]
1749 {exp coef:0} = {
1750 0.88710000000 1.0000000000
1751 })
1752 (type: [(am = i puream = 1)]
1753 {exp coef:0} = {
1754 1.5066000000 1.0000000000
1755 })
1756 ]
1757)
Note: See TracBrowser for help on using the repository browser.