source: ThirdParty/mpqc_open/lib/basis/cc-pv5z.kv@ 91c409

Candidate_v1.7.0 stable
Last change on this file since 91c409 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: 90.9 KB
RevLine 
[0b990d]1%BASIS "cc-pV5Z" 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%
13%
14% BASIS SET: (8s,4p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
15 hydrogen: "cc-pV5Z": [
16 (type: [am = s]
17 {exp coef:0} = {
18 402.00000000 0.27900000000E-03
19 60.240000000 0.21650000000E-02
20 13.730000000 0.11201000000E-01
21 3.9050000000 0.44878000000E-01
22 })
23 (type: [am = s]
24 {exp coef:0} = {
25 1.2830000000 1.0000000000
26 })
27 (type: [am = s]
28 {exp coef:0} = {
29 0.46550000000 1.0000000000
30 })
31 (type: [am = s]
32 {exp coef:0} = {
33 0.18110000000 1.0000000000
34 })
35 (type: [am = s]
36 {exp coef:0} = {
37 0.72790000000E-01 1.0000000000
38 })
39 (type: [am = p]
40 {exp coef:0} = {
41 4.5160000000 1.0000000000
42 })
43 (type: [am = p]
44 {exp coef:0} = {
45 1.7120000000 1.0000000000
46 })
47 (type: [am = p]
48 {exp coef:0} = {
49 0.64900000000 1.0000000000
50 })
51 (type: [am = p]
52 {exp coef:0} = {
53 0.24600000000 1.0000000000
54 })
55 (type: [(am = d puream = 1)]
56 {exp coef:0} = {
57 2.9500000000 1.0000000000
58 })
59 (type: [(am = d puream = 1)]
60 {exp coef:0} = {
61 1.2060000000 1.0000000000
62 })
63 (type: [(am = d puream = 1)]
64 {exp coef:0} = {
65 0.49300000000 1.0000000000
66 })
67 (type: [(am = f puream = 1)]
68 {exp coef:0} = {
69 2.5060000000 1.0000000000
70 })
71 (type: [(am = f puream = 1)]
72 {exp coef:0} = {
73 0.87500000000 1.0000000000
74 })
75 (type: [(am = g puream = 1)]
76 {exp coef:0} = {
77 2.3580000000 1.0000000000
78 })
79 ]
80%
81% BASIS SET: (8s,4p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
82 helium: "cc-pV5Z": [
83 (type: [am = s]
84 {exp coef:0} = {
85 1145.0000000 0.35900000000E-03
86 171.70000000 0.27710000000E-02
87 39.070000000 0.14251000000E-01
88 11.040000000 0.55566000000E-01
89 })
90 (type: [am = s]
91 {exp coef:0} = {
92 3.5660000000 1.0000000000
93 })
94 (type: [am = s]
95 {exp coef:0} = {
96 1.2400000000 1.0000000000
97 })
98 (type: [am = s]
99 {exp coef:0} = {
100 0.44730000000 1.0000000000
101 })
102 (type: [am = s]
103 {exp coef:0} = {
104 0.16400000000 1.0000000000
105 })
106 (type: [am = p]
107 {exp coef:0} = {
108 10.153000000 1.0000000000
109 })
110 (type: [am = p]
111 {exp coef:0} = {
112 3.6270000000 1.0000000000
113 })
114 (type: [am = p]
115 {exp coef:0} = {
116 1.2960000000 1.0000000000
117 })
118 (type: [am = p]
119 {exp coef:0} = {
120 0.46300000000 1.0000000000
121 })
122 (type: [(am = d puream = 1)]
123 {exp coef:0} = {
124 7.6660000000 1.0000000000
125 })
126 (type: [(am = d puream = 1)]
127 {exp coef:0} = {
128 2.6470000000 1.0000000000
129 })
130 (type: [(am = d puream = 1)]
131 {exp coef:0} = {
132 0.91400000000 1.0000000000
133 })
134 (type: [(am = f puream = 1)]
135 {exp coef:0} = {
136 5.4110000000 1.0000000000
137 })
138 (type: [(am = f puream = 1)]
139 {exp coef:0} = {
140 1.7070000000 1.0000000000
141 })
142 (type: [(am = g puream = 1)]
143 {exp coef:0} = {
144 3.4300000000 1.0000000000
145 })
146 ]
147%
148% BASIS SET: (14s,7p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
149 lithium: "cc-pV5Z": [
150 (type: [am = s am = s]
151 {exp coef:0 coef:1} = {
152 29493.000000 0.18000000000E-04 -0.30000000000E-05
153 4417.1010000 0.14100000000E-03 -0.22000000000E-04
154 1005.2230000 0.73900000000E-03 -0.11500000000E-03
155 284.70090000 0.31070000000E-02 -0.48700000000E-03
156 92.865430000 0.11135000000E-01 -0.17460000000E-02
157 33.511790000 0.34670000000E-01 -0.55200000000E-02
158 13.041800000 0.92171000000E-01 -0.14928000000E-01
159 5.3575360000 0.19957600000 -0.34206000000E-01
160 2.2793380000 0.32883600000 -0.62155000000E-01
161 0.99399000000 0.34597500000 -0.95902000000E-01
162 })
163 (type: [am = s]
164 {exp coef:0} = {
165 0.43347100000 1.0000000000
166 })
167 (type: [am = s]
168 {exp coef:0} = {
169 0.95566000000E-01 1.0000000000
170 })
171 (type: [am = s]
172 {exp coef:0} = {
173 0.44657000000E-01 1.0000000000
174 })
175 (type: [am = s]
176 {exp coef:0} = {
177 0.20633000000E-01 1.0000000000
178 })
179 (type: [am = p]
180 {exp coef:0} = {
181 11.250000000 0.13120000000E-02
182 2.5000000000 0.99180000000E-02
183 0.65000000000 0.37542000000E-01
184 })
185 (type: [am = p]
186 {exp coef:0} = {
187 0.25000000000 1.0000000000
188 })
189 (type: [am = p]
190 {exp coef:0} = {
191 0.10000000000 1.0000000000
192 })
193 (type: [am = p]
194 {exp coef:0} = {
195 0.39000000000E-01 1.0000000000
196 })
197 (type: [am = p]
198 {exp coef:0} = {
199 0.17000000000E-01 1.0000000000
200 })
201 (type: [(am = d puream = 1)]
202 {exp coef:0} = {
203 0.55000000000 1.0000000000
204 })
205 (type: [(am = d puream = 1)]
206 {exp coef:0} = {
207 0.29000000000 1.0000000000
208 })
209 (type: [(am = d puream = 1)]
210 {exp coef:0} = {
211 0.14000000000 1.0000000000
212 })
213 (type: [(am = d puream = 1)]
214 {exp coef:0} = {
215 0.61000000000E-01 1.0000000000
216 })
217 (type: [(am = f puream = 1)]
218 {exp coef:0} = {
219 0.35000000000 1.0000000000
220 })
221 (type: [(am = f puream = 1)]
222 {exp coef:0} = {
223 0.22000000000 1.0000000000
224 })
225 (type: [(am = f puream = 1)]
226 {exp coef:0} = {
227 0.11000000000 1.0000000000
228 })
229 (type: [(am = g puream = 1)]
230 {exp coef:0} = {
231 0.32000000000 1.0000000000
232 })
233 (type: [(am = g puream = 1)]
234 {exp coef:0} = {
235 0.16000000000 1.0000000000
236 })
237 (type: [(am = h puream = 1)]
238 {exp coef:0} = {
239 0.32000000000 1.0000000000
240 })
241 ]
242%
243% BASIS SET: (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
244 beryllium: "cc-pV5Z": [
245 (type: [am = s am = s]
246 {exp coef:0 coef:1} = {
247 54620.000000 0.18000000000E-04 -0.30000000000E-05
248 8180.0000000 0.13800000000E-03 -0.25000000000E-04
249 1862.0000000 0.72300000000E-03 -0.13100000000E-03
250 527.30000000 0.30390000000E-02 -0.55800000000E-03
251 172.00000000 0.10908000000E-01 -0.19880000000E-02
252 62.100000000 0.34035000000E-01 -0.63700000000E-02
253 24.210000000 0.91193000000E-01 -0.17217000000E-01
254 9.9930000000 0.19926800000 -0.40858000000E-01
255 4.3050000000 0.32935500000 -0.74237000000E-01
256 1.9210000000 0.34048900000 -0.11923400000
257 })
258 (type: [am = s]
259 {exp coef:0} = {
260 0.86630000000 1.0000000000
261 })
262 (type: [am = s]
263 {exp coef:0} = {
264 0.24750000000 1.0000000000
265 })
266 (type: [am = s]
267 {exp coef:0} = {
268 0.10090000000 1.0000000000
269 })
270 (type: [am = s]
271 {exp coef:0} = {
272 0.41290000000E-01 1.0000000000
273 })
274 (type: [am = p]
275 {exp coef:0} = {
276 43.750000000 0.63300000000E-03
277 10.330000000 0.48080000000E-02
278 3.2260000000 0.20527000000E-01
279 1.1270000000 0.67816000000E-01
280 })
281 (type: [am = p]
282 {exp coef:0} = {
283 0.43340000000 1.0000000000
284 })
285 (type: [am = p]
286 {exp coef:0} = {
287 0.18080000000 1.0000000000
288 })
289 (type: [am = p]
290 {exp coef:0} = {
291 0.78270000000E-01 1.0000000000
292 })
293 (type: [am = p]
294 {exp coef:0} = {
295 0.33720000000E-01 1.0000000000
296 })
297 (type: [(am = d puream = 1)]
298 {exp coef:0} = {
299 1.6350000000 1.0000000000
300 })
301 (type: [(am = d puream = 1)]
302 {exp coef:0} = {
303 0.74100000000 1.0000000000
304 })
305 (type: [(am = d puream = 1)]
306 {exp coef:0} = {
307 0.33500000000 1.0000000000
308 })
309 (type: [(am = d puream = 1)]
310 {exp coef:0} = {
311 0.15190000000 1.0000000000
312 })
313 (type: [(am = f puream = 1)]
314 {exp coef:0} = {
315 0.68600000000 1.0000000000
316 })
317 (type: [(am = f puream = 1)]
318 {exp coef:0} = {
319 0.40100000000 1.0000000000
320 })
321 (type: [(am = f puream = 1)]
322 {exp coef:0} = {
323 0.23500000000 1.0000000000
324 })
325 (type: [(am = g puream = 1)]
326 {exp coef:0} = {
327 0.60300000000 1.0000000000
328 })
329 (type: [(am = g puream = 1)]
330 {exp coef:0} = {
331 0.32400000000 1.0000000000
332 })
333 (type: [(am = h puream = 1)]
334 {exp coef:0} = {
335 0.51000000000 1.0000000000
336 })
337 ]
338%
339% BASIS SET: (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
340 boron: "cc-pV5Z": [
341 (type: [am = s am = s]
342 {exp coef:0 coef:1} = {
343 68260.000000 0.24000000000E-04 -0.50000000000E-05
344 10230.000000 0.18500000000E-03 -0.37000000000E-04
345 2328.0000000 0.97000000000E-03 -0.19600000000E-03
346 660.40000000 0.40560000000E-02 -0.82400000000E-03
347 216.20000000 0.14399000000E-01 -0.29230000000E-02
348 78.600000000 0.43901000000E-01 -0.91380000000E-02
349 30.980000000 0.11305700000 -0.24105000000E-01
350 12.960000000 0.23382500000 -0.54755000000E-01
351 5.6590000000 0.35396000000 -0.96943000000E-01
352 2.5560000000 0.30154700000 -0.13748500000
353 })
354 (type: [am = s]
355 {exp coef:0} = {
356 1.1750000000 1.0000000000
357 })
358 (type: [am = s]
359 {exp coef:0} = {
360 0.42490000000 1.0000000000
361 })
362 (type: [am = s]
363 {exp coef:0} = {
364 0.17120000000 1.0000000000
365 })
366 (type: [am = s]
367 {exp coef:0} = {
368 0.69130000000E-01 1.0000000000
369 })
370 (type: [am = p]
371 {exp coef:0} = {
372 66.440000000 0.83800000000E-03
373 15.710000000 0.64090000000E-02
374 4.9360000000 0.28081000000E-01
375 1.7700000000 0.92152000000E-01
376 })
377 (type: [am = p]
378 {exp coef:0} = {
379 0.70080000000 1.0000000000
380 })
381 (type: [am = p]
382 {exp coef:0} = {
383 0.29010000000 1.0000000000
384 })
385 (type: [am = p]
386 {exp coef:0} = {
387 0.12110000000 1.0000000000
388 })
389 (type: [am = p]
390 {exp coef:0} = {
391 0.49730000000E-01 1.0000000000
392 })
393 (type: [(am = d puream = 1)]
394 {exp coef:0} = {
395 2.0100000000 1.0000000000
396 })
397 (type: [(am = d puream = 1)]
398 {exp coef:0} = {
399 0.79600000000 1.0000000000
400 })
401 (type: [(am = d puream = 1)]
402 {exp coef:0} = {
403 0.31600000000 1.0000000000
404 })
405 (type: [(am = d puream = 1)]
406 {exp coef:0} = {
407 0.12500000000 1.0000000000
408 })
409 (type: [(am = f puream = 1)]
410 {exp coef:0} = {
411 1.2150000000 1.0000000000
412 })
413 (type: [(am = f puream = 1)]
414 {exp coef:0} = {
415 0.52500000000 1.0000000000
416 })
417 (type: [(am = f puream = 1)]
418 {exp coef:0} = {
419 0.22700000000 1.0000000000
420 })
421 (type: [(am = g puream = 1)]
422 {exp coef:0} = {
423 1.1240000000 1.0000000000
424 })
425 (type: [(am = g puream = 1)]
426 {exp coef:0} = {
427 0.46100000000 1.0000000000
428 })
429 (type: [(am = h puream = 1)]
430 {exp coef:0} = {
431 0.83400000000 1.0000000000
432 })
433 ]
434%
435% BASIS SET: (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
436 carbon: "cc-pV5Z": [
437 (type: [am = s am = s]
438 {exp coef:0 coef:1} = {
439 96770.000000 0.25000000000E-04 -0.50000000000E-05
440 14500.000000 0.19000000000E-03 -0.41000000000E-04
441 3300.0000000 0.10000000000E-02 -0.21300000000E-03
442 935.80000000 0.41830000000E-02 -0.89700000000E-03
443 306.20000000 0.14859000000E-01 -0.31870000000E-02
444 111.30000000 0.45301000000E-01 -0.99610000000E-02
445 43.900000000 0.11650400000 -0.26375000000E-01
446 18.400000000 0.24024900000 -0.60001000000E-01
447 8.0540000000 0.35879900000 -0.10682500000
448 3.6370000000 0.29394100000 -0.14416600000
449 })
450 (type: [am = s]
451 {exp coef:0} = {
452 1.6560000000 1.0000000000
453 })
454 (type: [am = s]
455 {exp coef:0} = {
456 0.63330000000 1.0000000000
457 })
458 (type: [am = s]
459 {exp coef:0} = {
460 0.25450000000 1.0000000000
461 })
462 (type: [am = s]
463 {exp coef:0} = {
464 0.10190000000 1.0000000000
465 })
466 (type: [am = p]
467 {exp coef:0} = {
468 101.80000000 0.89100000000E-03
469 24.040000000 0.69760000000E-02
470 7.5710000000 0.31669000000E-01
471 2.7320000000 0.10400600000
472 })
473 (type: [am = p]
474 {exp coef:0} = {
475 1.0850000000 1.0000000000
476 })
477 (type: [am = p]
478 {exp coef:0} = {
479 0.44960000000 1.0000000000
480 })
481 (type: [am = p]
482 {exp coef:0} = {
483 0.18760000000 1.0000000000
484 })
485 (type: [am = p]
486 {exp coef:0} = {
487 0.76060000000E-01 1.0000000000
488 })
489 (type: [(am = d puream = 1)]
490 {exp coef:0} = {
491 3.1340000000 1.0000000000
492 })
493 (type: [(am = d puream = 1)]
494 {exp coef:0} = {
495 1.2330000000 1.0000000000
496 })
497 (type: [(am = d puream = 1)]
498 {exp coef:0} = {
499 0.48500000000 1.0000000000
500 })
501 (type: [(am = d puream = 1)]
502 {exp coef:0} = {
503 0.19100000000 1.0000000000
504 })
505 (type: [(am = f puream = 1)]
506 {exp coef:0} = {
507 2.0060000000 1.0000000000
508 })
509 (type: [(am = f puream = 1)]
510 {exp coef:0} = {
511 0.83800000000 1.0000000000
512 })
513 (type: [(am = f puream = 1)]
514 {exp coef:0} = {
515 0.35000000000 1.0000000000
516 })
517 (type: [(am = g puream = 1)]
518 {exp coef:0} = {
519 1.7530000000 1.0000000000
520 })
521 (type: [(am = g puream = 1)]
522 {exp coef:0} = {
523 0.67800000000 1.0000000000
524 })
525 (type: [(am = h puream = 1)]
526 {exp coef:0} = {
527 1.2590000000 1.0000000000
528 })
529 ]
530%
531% BASIS SET: (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
532 nitrogen: "cc-pV5Z": [
533 (type: [am = s am = s]
534 {exp coef:0 coef:1} = {
535 129200.00000 0.25000000000E-04 -0.60000000000E-05
536 19350.000000 0.19700000000E-03 -0.43000000000E-04
537 4404.0000000 0.10320000000E-02 -0.22700000000E-03
538 1248.0000000 0.43250000000E-02 -0.95800000000E-03
539 408.00000000 0.15380000000E-01 -0.34160000000E-02
540 148.20000000 0.46867000000E-01 -0.10667000000E-01
541 58.500000000 0.12011600000 -0.28279000000E-01
542 24.590000000 0.24569500000 -0.64020000000E-01
543 10.810000000 0.36137900000 -0.11393200000
544 4.8820000000 0.28728300000 -0.14699500000
545 })
546 (type: [am = s]
547 {exp coef:0} = {
548 2.1950000000 1.0000000000
549 })
550 (type: [am = s]
551 {exp coef:0} = {
552 0.87150000000 1.0000000000
553 })
554 (type: [am = s]
555 {exp coef:0} = {
556 0.35040000000 1.0000000000
557 })
558 (type: [am = s]
559 {exp coef:0} = {
560 0.13970000000 1.0000000000
561 })
562 (type: [am = p]
563 {exp coef:0} = {
564 147.00000000 0.89200000000E-03
565 34.760000000 0.70820000000E-02
566 11.000000000 0.32816000000E-01
567 3.9950000000 0.10820900000
568 })
569 (type: [am = p]
570 {exp coef:0} = {
571 1.5870000000 1.0000000000
572 })
573 (type: [am = p]
574 {exp coef:0} = {
575 0.65330000000 1.0000000000
576 })
577 (type: [am = p]
578 {exp coef:0} = {
579 0.26860000000 1.0000000000
580 })
581 (type: [am = p]
582 {exp coef:0} = {
583 0.10670000000 1.0000000000
584 })
585 (type: [(am = d puream = 1)]
586 {exp coef:0} = {
587 4.6470000000 1.0000000000
588 })
589 (type: [(am = d puream = 1)]
590 {exp coef:0} = {
591 1.8130000000 1.0000000000
592 })
593 (type: [(am = d puream = 1)]
594 {exp coef:0} = {
595 0.70700000000 1.0000000000
596 })
597 (type: [(am = d puream = 1)]
598 {exp coef:0} = {
599 0.27600000000 1.0000000000
600 })
601 (type: [(am = f puream = 1)]
602 {exp coef:0} = {
603 2.9420000000 1.0000000000
604 })
605 (type: [(am = f puream = 1)]
606 {exp coef:0} = {
607 1.2040000000 1.0000000000
608 })
609 (type: [(am = f puream = 1)]
610 {exp coef:0} = {
611 0.49300000000 1.0000000000
612 })
613 (type: [(am = g puream = 1)]
614 {exp coef:0} = {
615 2.5110000000 1.0000000000
616 })
617 (type: [(am = g puream = 1)]
618 {exp coef:0} = {
619 0.94200000000 1.0000000000
620 })
621 (type: [(am = h puream = 1)]
622 {exp coef:0} = {
623 1.7680000000 1.0000000000
624 })
625 ]
626%
627% BASIS SET: (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
628 oxygen: "cc-pV5Z": [
629 (type: [am = s am = s]
630 {exp coef:0 coef:1} = {
631 164200.00000 0.26000000000E-04 -0.60000000000E-05
632 24590.000000 0.20500000000E-03 -0.46000000000E-04
633 5592.0000000 0.10760000000E-02 -0.24400000000E-03
634 1582.0000000 0.45220000000E-02 -0.10310000000E-02
635 516.10000000 0.16108000000E-01 -0.36880000000E-02
636 187.20000000 0.49085000000E-01 -0.11514000000E-01
637 73.930000000 0.12485700000 -0.30435000000E-01
638 31.220000000 0.25168600000 -0.68147000000E-01
639 13.810000000 0.36242000000 -0.12036800000
640 6.2560000000 0.27905100000 -0.14826000000
641 })
642 (type: [am = s]
643 {exp coef:0} = {
644 2.7760000000 1.0000000000
645 })
646 (type: [am = s]
647 {exp coef:0} = {
648 1.1380000000 1.0000000000
649 })
650 (type: [am = s]
651 {exp coef:0} = {
652 0.46000000000 1.0000000000
653 })
654 (type: [am = s]
655 {exp coef:0} = {
656 0.18290000000 1.0000000000
657 })
658 (type: [am = p]
659 {exp coef:0} = {
660 195.50000000 0.91800000000E-03
661 46.160000000 0.73880000000E-02
662 14.580000000 0.34958000000E-01
663 5.2960000000 0.11543100000
664 })
665 (type: [am = p]
666 {exp coef:0} = {
667 2.0940000000 1.0000000000
668 })
669 (type: [am = p]
670 {exp coef:0} = {
671 0.84710000000 1.0000000000
672 })
673 (type: [am = p]
674 {exp coef:0} = {
675 0.33680000000 1.0000000000
676 })
677 (type: [am = p]
678 {exp coef:0} = {
679 0.12850000000 1.0000000000
680 })
681 (type: [(am = d puream = 1)]
682 {exp coef:0} = {
683 5.8790000000 1.0000000000
684 })
685 (type: [(am = d puream = 1)]
686 {exp coef:0} = {
687 2.3070000000 1.0000000000
688 })
689 (type: [(am = d puream = 1)]
690 {exp coef:0} = {
691 0.90500000000 1.0000000000
692 })
693 (type: [(am = d puream = 1)]
694 {exp coef:0} = {
695 0.35500000000 1.0000000000
696 })
697 (type: [(am = f puream = 1)]
698 {exp coef:0} = {
699 4.0160000000 1.0000000000
700 })
701 (type: [(am = f puream = 1)]
702 {exp coef:0} = {
703 1.5540000000 1.0000000000
704 })
705 (type: [(am = f puream = 1)]
706 {exp coef:0} = {
707 0.60100000000 1.0000000000
708 })
709 (type: [(am = g puream = 1)]
710 {exp coef:0} = {
711 3.3500000000 1.0000000000
712 })
713 (type: [(am = g puream = 1)]
714 {exp coef:0} = {
715 1.1890000000 1.0000000000
716 })
717 (type: [(am = h puream = 1)]
718 {exp coef:0} = {
719 2.3190000000 1.0000000000
720 })
721 ]
722%
723% BASIS SET: (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
724 fluorine: "cc-pV5Z": [
725 (type: [am = s am = s]
726 {exp coef:0 coef:1} = {
727 211400.00000 0.26000000000E-04 -0.60000000000E-05
728 31660.000000 0.20100000000E-03 -0.47000000000E-04
729 7202.0000000 0.10560000000E-02 -0.24400000000E-03
730 2040.0000000 0.44320000000E-02 -0.10310000000E-02
731 666.40000000 0.15766000000E-01 -0.36830000000E-02
732 242.00000000 0.48112000000E-01 -0.11513000000E-01
733 95.530000000 0.12323200000 -0.30663000000E-01
734 40.230000000 0.25151900000 -0.69572000000E-01
735 17.720000000 0.36452500000 -0.12399200000
736 8.0050000000 0.27976600000 -0.15021400000
737 })
738 (type: [am = s]
739 {exp coef:0} = {
740 3.5380000000 1.0000000000
741 })
742 (type: [am = s]
743 {exp coef:0} = {
744 1.4580000000 1.0000000000
745 })
746 (type: [am = s]
747 {exp coef:0} = {
748 0.58870000000 1.0000000000
749 })
750 (type: [am = s]
751 {exp coef:0} = {
752 0.23240000000 1.0000000000
753 })
754 (type: [am = p]
755 {exp coef:0} = {
756 241.90000000 0.10020000000E-02
757 57.170000000 0.80540000000E-02
758 18.130000000 0.38048000000E-01
759 6.6240000000 0.12377900000
760 })
761 (type: [am = p]
762 {exp coef:0} = {
763 2.6220000000 1.0000000000
764 })
765 (type: [am = p]
766 {exp coef:0} = {
767 1.0570000000 1.0000000000
768 })
769 (type: [am = p]
770 {exp coef:0} = {
771 0.41760000000 1.0000000000
772 })
773 (type: [am = p]
774 {exp coef:0} = {
775 0.15740000000 1.0000000000
776 })
777 (type: [(am = d puream = 1)]
778 {exp coef:0} = {
779 7.7600000000 1.0000000000
780 })
781 (type: [(am = d puream = 1)]
782 {exp coef:0} = {
783 3.0320000000 1.0000000000
784 })
785 (type: [(am = d puream = 1)]
786 {exp coef:0} = {
787 1.1850000000 1.0000000000
788 })
789 (type: [(am = d puream = 1)]
790 {exp coef:0} = {
791 0.46300000000 1.0000000000
792 })
793 (type: [(am = f puream = 1)]
794 {exp coef:0} = {
795 5.3980000000 1.0000000000
796 })
797 (type: [(am = f puream = 1)]
798 {exp coef:0} = {
799 2.0780000000 1.0000000000
800 })
801 (type: [(am = f puream = 1)]
802 {exp coef:0} = {
803 0.80000000000 1.0000000000
804 })
805 (type: [(am = g puream = 1)]
806 {exp coef:0} = {
807 4.3380000000 1.0000000000
808 })
809 (type: [(am = g puream = 1)]
810 {exp coef:0} = {
811 1.5130000000 1.0000000000
812 })
813 (type: [(am = h puream = 1)]
814 {exp coef:0} = {
815 2.9950000000 1.0000000000
816 })
817 ]
818%
819% BASIS SET: (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
820 neon: "cc-pV5Z": [
821 (type: [am = s am = s]
822 {exp coef:0 coef:1} = {
823 262700.00000 0.26000000000E-04 -0.60000000000E-05
824 39350.000000 0.20000000000E-03 -0.47000000000E-04
825 8955.0000000 0.10500000000E-02 -0.24700000000E-03
826 2538.0000000 0.44000000000E-02 -0.10380000000E-02
827 829.90000000 0.15649000000E-01 -0.37110000000E-02
828 301.50000000 0.47758000000E-01 -0.11593000000E-01
829 119.00000000 0.12294300000 -0.31086000000E-01
830 50.000000000 0.25248300000 -0.70972000000E-01
831 21.980000000 0.36631400000 -0.12726600000
832 9.8910000000 0.27961700000 -0.15123100000
833 })
834 (type: [am = s]
835 {exp coef:0} = {
836 4.3270000000 1.0000000000
837 })
838 (type: [am = s]
839 {exp coef:0} = {
840 1.8040000000 1.0000000000
841 })
842 (type: [am = s]
843 {exp coef:0} = {
844 0.72880000000 1.0000000000
845 })
846 (type: [am = s]
847 {exp coef:0} = {
848 0.28670000000 1.0000000000
849 })
850 (type: [am = p]
851 {exp coef:0} = {
852 299.10000000 0.10380000000E-02
853 70.730000000 0.83750000000E-02
854 22.480000000 0.39693000000E-01
855 8.2460000000 0.12805600000
856 })
857 (type: [am = p]
858 {exp coef:0} = {
859 3.2690000000 1.0000000000
860 })
861 (type: [am = p]
862 {exp coef:0} = {
863 1.3150000000 1.0000000000
864 })
865 (type: [am = p]
866 {exp coef:0} = {
867 0.51580000000 1.0000000000
868 })
869 (type: [am = p]
870 {exp coef:0} = {
871 0.19180000000 1.0000000000
872 })
873 (type: [(am = d puream = 1)]
874 {exp coef:0} = {
875 9.8370000000 1.0000000000
876 })
877 (type: [(am = d puream = 1)]
878 {exp coef:0} = {
879 3.8440000000 1.0000000000
880 })
881 (type: [(am = d puream = 1)]
882 {exp coef:0} = {
883 1.5020000000 1.0000000000
884 })
885 (type: [(am = d puream = 1)]
886 {exp coef:0} = {
887 0.58700000000 1.0000000000
888 })
889 (type: [(am = f puream = 1)]
890 {exp coef:0} = {
891 7.0900000000 1.0000000000
892 })
893 (type: [(am = f puream = 1)]
894 {exp coef:0} = {
895 2.7380000000 1.0000000000
896 })
897 (type: [(am = f puream = 1)]
898 {exp coef:0} = {
899 1.0570000000 1.0000000000
900 })
901 (type: [(am = g puream = 1)]
902 {exp coef:0} = {
903 5.4600000000 1.0000000000
904 })
905 (type: [(am = g puream = 1)]
906 {exp coef:0} = {
907 1.8800000000 1.0000000000
908 })
909 (type: [(am = h puream = 1)]
910 {exp coef:0} = {
911 3.7760000000 1.0000000000
912 })
913 ]
914%
915% BASIS SET: (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]
916 sodium: "cc-pV5Z": [
917 (type: [am = s am = s am = s]
918 {exp coef:0 coef:1 coef:2} = {
919 1224000.0000 0.50000000000E-05 -0.10000000000E-05 0.
920 183200.00000 0.37000000000E-04 -0.90000000000E-05 0.10000000000E-05
921 41700.000000 0.19600000000E-03 -0.48000000000E-04 0.70000000000E-05
922 11810.000000 0.82700000000E-03 -0.20200000000E-03 0.30000000000E-04
923 3853.0000000 0.30030000000E-02 -0.73600000000E-03 0.11100000000E-03
924 1391.0000000 0.97030000000E-02 -0.23870000000E-02 0.35900000000E-03
925 542.50000000 0.28234000000E-01 -0.70500000000E-02 0.10630000000E-02
926 224.90000000 0.73206000000E-01 -0.18786000000E-01 0.28270000000E-02
927 97.930000000 0.16289700000 -0.44615000000E-01 0.67670000000E-02
928 44.310000000 0.28870800000 -0.89774000000E-01 0.13648000000E-01
929 20.650000000 0.34682900000 -0.14294000000 0.22281000000E-01
930 9.7290000000 0.20686500000 -0.12431500000 0.19601000000E-01
931 4.2280000000 0.32801000000E-01 0.99965000000E-01 -0.16771000000E-01
932 1.9690000000 -0.64800000000E-03 0.41708000000 -0.77373000000E-01
933 0.88900000000 0.14590000000E-02 0.47512300000 -0.11350100000
934 })
935 (type: [am = s]
936 {exp coef:0} = {
937 0.39640000000 1.0000000000
938 })
939 (type: [am = s]
940 {exp coef:0} = {
941 0.69930000000E-01 1.0000000000
942 })
943 (type: [am = s]
944 {exp coef:0} = {
945 0.32890000000E-01 1.0000000000
946 })
947 (type: [am = s]
948 {exp coef:0} = {
949 0.16120000000E-01 1.0000000000
950 })
951 (type: [am = p am = p]
952 {exp coef:0 coef:1} = {
953 413.40000000 0.90800000000E-03 -0.90000000000E-04
954 97.980000000 0.74180000000E-02 -0.73900000000E-03
955 31.370000000 0.35746000000E-01 -0.35730000000E-02
956 11.620000000 0.11852000000 -0.12014000000E-01
957 4.6710000000 0.26140300000 -0.26718000000E-01
958 1.9180000000 0.37839500000 -0.39275000000E-01
959 0.77750000000 0.33463200000 -0.37608000000E-01
960 0.30130000000 0.12684400000 -0.43323000000E-01
961 })
962 (type: [am = p]
963 {exp coef:0} = {
964 0.22750000000 1.0000000000
965 })
966 (type: [am = p]
967 {exp coef:0} = {
968 0.75270000000E-01 1.0000000000
969 })
970 (type: [am = p]
971 {exp coef:0} = {
972 0.31260000000E-01 1.0000000000
973 })
974 (type: [am = p]
975 {exp coef:0} = {
976 0.13420000000E-01 1.0000000000
977 })
978 (type: [(am = d puream = 1)]
979 {exp coef:0} = {
980 0.27340000000 1.0000000000
981 })
982 (type: [(am = d puream = 1)]
983 {exp coef:0} = {
984 0.15380000000 1.0000000000
985 })
986 (type: [(am = d puream = 1)]
987 {exp coef:0} = {
988 0.86500000000E-01 1.0000000000
989 })
990 (type: [(am = d puream = 1)]
991 {exp coef:0} = {
992 0.48700000000E-01 1.0000000000
993 })
994 (type: [(am = f puream = 1)]
995 {exp coef:0} = {
996 0.40000000000 1.0000000000
997 })
998 (type: [(am = f puream = 1)]
999 {exp coef:0} = {
1000 0.19120000000 1.0000000000
1001 })
1002 (type: [(am = f puream = 1)]
1003 {exp coef:0} = {
1004 0.10360000000 1.0000000000
1005 })
1006 (type: [(am = g puream = 1)]
1007 {exp coef:0} = {
1008 0.42500000000 1.0000000000
1009 })
1010 (type: [(am = g puream = 1)]
1011 {exp coef:0} = {
1012 0.17220000000 1.0000000000
1013 })
1014 (type: [(am = h puream = 1)]
1015 {exp coef:0} = {
1016 0.20000000000 1.0000000000
1017 })
1018 ]
1019%
1020% BASIS SET: (20s,14p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]
1021 magnesium: "cc-pV5Z": [
1022 (type: [am = s am = s am = s]
1023 {exp coef:0 coef:1 coef:2} = {
1024 2968000.0000 0.19717700000E-05 -0.49816000000E-06 0.96017500000E-07
1025 444300.00000 0.15336200000E-04 -0.38756300000E-05 0.74616400000E-06
1026 101100.00000 0.80685200000E-04 -0.20385400000E-04 0.39311900000E-05
1027 28640.000000 0.34077100000E-03 -0.86165900000E-04 0.16581200000E-04
1028 9343.0000000 0.12419400000E-02 -0.31417600000E-03 0.60625700000E-04
1029 3373.0000000 0.40412400000E-02 -0.10257700000E-02 0.19732200000E-03
1030 1316.0000000 0.11979700000E-01 -0.30581600000E-02 0.59088100000E-03
1031 545.80000000 0.32425300000E-01 -0.84106300000E-02 0.16190400000E-02
1032 238.10000000 0.78933200000E-01 -0.21120200000E-01 0.40975600000E-02
1033 108.20000000 0.16657500000 -0.47688200000E-01 0.92298900000E-02
1034 50.800000000 0.28287100000 -0.92411900000E-01 0.18216800000E-01
1035 24.480000000 0.33189000000 -0.14254800000 0.28288400000E-01
1036 11.930000000 0.20328700000 -0.12616800000 0.26505900000E-01
1037 5.5430000000 0.38289700000E-01 0.71528200000E-01 -0.17205300000E-01
1038 2.6750000000 0.30891600000E-03 0.38303900000 -0.88591700000E-01
1039 1.2630000000 0.13890700000E-02 0.49013300000 -0.16387100000
1040 })
1041 (type: [am = s]
1042 {exp coef:0} = {
1043 0.58830000000 1.0000000000
1044 })
1045 (type: [am = s]
1046 {exp coef:0} = {
1047 0.14960000000 1.0000000000
1048 })
1049 (type: [am = s]
1050 {exp coef:0} = {
1051 0.67000000000E-01 1.0000000000
1052 })
1053 (type: [am = s]
1054 {exp coef:0} = {
1055 0.29520000000E-01 1.0000000000
1056 })
1057 (type: [am = p am = p]
1058 {exp coef:0 coef:1} = {
1059 1441.0000000 0.15240700000E-03 -0.24103100000E-04
1060 341.40000000 0.13276400000E-02 -0.21080900000E-03
1061 110.70000000 0.72193700000E-02 -0.11453000000E-02
1062 41.970000000 0.28520500000E-01 -0.45641700000E-02
1063 17.490000000 0.86534600000E-01 -0.13960300000E-01
1064 7.7530000000 0.19495000000 -0.32110500000E-01
1065 3.5340000000 0.31205100000 -0.51621700000E-01
1066 1.6140000000 0.34847600000 -0.61371300000E-01
1067 0.72990000000 0.21888600000 -0.44246500000E-01
1068 0.30290000000 0.43557900000E-01 0.52319100000E-01
1069 })
1070 (type: [am = p]
1071 {exp coef:0} = {
1072 0.15830000000 1.0000000000
1073 })
1074 (type: [am = p]
1075 {exp coef:0} = {
1076 0.81900000000E-01 1.0000000000
1077 })
1078 (type: [am = p]
1079 {exp coef:0} = {
1080 0.41230000000E-01 1.0000000000
1081 })
1082 (type: [am = p]
1083 {exp coef:0} = {
1084 0.19880000000E-01 1.0000000000
1085 })
1086 (type: [(am = d puream = 1)]
1087 {exp coef:0} = {
1088 0.11000000000 1.0000000000
1089 })
1090 (type: [(am = d puream = 1)]
1091 {exp coef:0} = {
1092 0.24200000000 1.0000000000
1093 })
1094 (type: [(am = d puream = 1)]
1095 {exp coef:0} = {
1096 0.53200000000 1.0000000000
1097 })
1098 (type: [(am = d puream = 1)]
1099 {exp coef:0} = {
1100 1.1710000000 1.0000000000
1101 })
1102 (type: [(am = f puream = 1)]
1103 {exp coef:0} = {
1104 0.15500000000 1.0000000000
1105 })
1106 (type: [(am = f puream = 1)]
1107 {exp coef:0} = {
1108 0.26400000000 1.0000000000
1109 })
1110 (type: [(am = f puream = 1)]
1111 {exp coef:0} = {
1112 0.44800000000 1.0000000000
1113 })
1114 (type: [(am = g puream = 1)]
1115 {exp coef:0} = {
1116 0.24000000000 1.0000000000
1117 })
1118 (type: [(am = g puream = 1)]
1119 {exp coef:0} = {
1120 0.44400000000 1.0000000000
1121 })
1122 (type: [(am = h puream = 1)]
1123 {exp coef:0} = {
1124 0.37500000000 1.0000000000
1125 })
1126 ]
1127%
1128% BASIS SET: (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]
1129 aluminum: "cc-pV5Z": [
1130 (type: [am = s am = s am = s]
1131 {exp coef:0 coef:1 coef:2} = {
1132 3269000.0000 0.21396200000E-05 -0.55602600000E-06 0.12842300000E-06
1133 489400.00000 0.16626400000E-04 -0.43230300000E-05 0.99751400000E-06
1134 111400.00000 0.87516800000E-04 -0.22741300000E-04 0.52548000000E-05
1135 31560.000000 0.36899000000E-03 -0.96011600000E-04 0.22145000000E-04
1136 10320.000000 0.13390300000E-02 -0.34837600000E-03 0.80546400000E-04
1137 3731.0000000 0.43563600000E-02 -0.11383600000E-02 0.26250600000E-03
1138 1456.0000000 0.12895500000E-01 -0.33874400000E-02 0.78422000000E-03
1139 604.10000000 0.34820100000E-01 -0.93150500000E-02 0.21503900000E-02
1140 263.50000000 0.84353000000E-01 -0.23302300000E-01 0.54197400000E-02
1141 119.80000000 0.17590700000 -0.52348600000E-01 0.12168600000E-01
1142 56.320000000 0.29209100000 -0.99949900000E-01 0.23682300000E-01
1143 27.190000000 0.32822000000 -0.15056000000 0.36093700000E-01
1144 13.260000000 0.18692700000 -0.11912100000 0.30328400000E-01
1145 6.0520000000 0.31043000000E-01 0.10809100000 -0.30903400000E-01
1146 2.9810000000 -0.50892200000E-03 0.41112900000 -0.11912600000
1147 1.4760000000 0.14883600000E-02 0.45721400000 -0.21114500000
1148 })
1149 (type: [am = s]
1150 {exp coef:0} = {
1151 0.73340000000 1.0000000000
1152 })
1153 (type: [am = s]
1154 {exp coef:0} = {
1155 0.24470000000 1.0000000000
1156 })
1157 (type: [am = s]
1158 {exp coef:0} = {
1159 0.10880000000 1.0000000000
1160 })
1161 (type: [am = s]
1162 {exp coef:0} = {
1163 0.46720000000E-01 1.0000000000
1164 })
1165 (type: [am = p am = p]
1166 {exp coef:0 coef:1} = {
1167 1461.0000000 0.20861300000E-03 -0.37194700000E-04
1168 346.20000000 0.18100500000E-02 -0.32856300000E-03
1169 112.20000000 0.97343300000E-02 -0.17426400000E-02
1170 42.510000000 0.37826600000E-01 -0.69482800000E-02
1171 17.720000000 0.11089800000 -0.20280700000E-01
1172 7.8520000000 0.23429500000 -0.44865700000E-01
1173 3.5710000000 0.34524500000 -0.64327800000E-01
1174 1.6370000000 0.33143000000 -0.75266600000E-01
1175 })
1176 (type: [am = p]
1177 {exp coef:0} = {
1178 0.73820000000 1.0000000000
1179 })
1180 (type: [am = p]
1181 {exp coef:0} = {
1182 0.25770000000 1.0000000000
1183 })
1184 (type: [am = p]
1185 {exp coef:0} = {
1186 0.97730000000E-01 1.0000000000
1187 })
1188 (type: [am = p]
1189 {exp coef:0} = {
1190 0.36900000000E-01 1.0000000000
1191 })
1192 (type: [(am = d puream = 1)]
1193 {exp coef:0} = {
1194 1.3170000000 1.0000000000
1195 })
1196 (type: [(am = d puream = 1)]
1197 {exp coef:0} = {
1198 0.52600000000 1.0000000000
1199 })
1200 (type: [(am = d puream = 1)]
1201 {exp coef:0} = {
1202 0.21000000000 1.0000000000
1203 })
1204 (type: [(am = d puream = 1)]
1205 {exp coef:0} = {
1206 0.84000000000E-01 1.0000000000
1207 })
1208 (type: [(am = f puream = 1)]
1209 {exp coef:0} = {
1210 0.13000000000 1.0000000000
1211 })
1212 (type: [(am = f puream = 1)]
1213 {exp coef:0} = {
1214 0.25800000000 1.0000000000
1215 })
1216 (type: [(am = f puream = 1)]
1217 {exp coef:0} = {
1218 0.51300000000 1.0000000000
1219 })
1220 (type: [(am = g puream = 1)]
1221 {exp coef:0} = {
1222 0.25200000000 1.0000000000
1223 })
1224 (type: [(am = g puream = 1)]
1225 {exp coef:0} = {
1226 0.54300000000 1.0000000000
1227 })
1228 (type: [(am = h puream = 1)]
1229 {exp coef:0} = {
1230 0.44600000000 1.0000000000
1231 })
1232 ]
1233%
1234% BASIS SET: (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]
1235 silicon: "cc-pV5Z": [
1236 (type: [am = s am = s am = s]
1237 {exp coef:0 coef:1 coef:2} = {
1238 3948000.0000 0.20371200000E-05 -0.54208500000E-06 0.13890700000E-06
1239 591100.00000 0.15839400000E-04 -0.42167700000E-05 0.10795300000E-05
1240 134500.00000 0.83359000000E-04 -0.22181300000E-04 0.56862800000E-05
1241 38120.000000 0.35136100000E-03 -0.93602800000E-04 0.23953700000E-04
1242 12460.000000 0.12766000000E-02 -0.34011600000E-03 0.87240900000E-04
1243 4504.0000000 0.41519100000E-02 -0.11106100000E-02 0.28416300000E-03
1244 1758.0000000 0.12303000000E-01 -0.33087800000E-02 0.84984000000E-03
1245 729.10000000 0.33310200000E-01 -0.91160200000E-02 0.23352700000E-02
1246 318.00000000 0.80984500000E-01 -0.22879000000E-01 0.59046600000E-02
1247 144.60000000 0.17029000000 -0.51711900000E-01 0.13346100000E-01
1248 67.970000000 0.28687900000 -0.99909100000E-01 0.26288900000E-01
1249 32.820000000 0.33034000000 -0.15274700000 0.40742600000E-01
1250 16.030000000 0.19660200000 -0.12750800000 0.36147600000E-01
1251 7.3960000000 0.35453500000E-01 0.94696300000E-01 -0.30392300000E-01
1252 3.6610000000 -0.53520400000E-03 0.41403600000 -0.13596100000
1253 1.8230000000 0.16146500000E-02 0.46793400000 -0.25014400000
1254 })
1255 (type: [am = s]
1256 {exp coef:0} = {
1257 0.91470000000 1.0000000000
1258 })
1259 (type: [am = s]
1260 {exp coef:0} = {
1261 0.33930000000 1.0000000000
1262 })
1263 (type: [am = s]
1264 {exp coef:0} = {
1265 0.15000000000 1.0000000000
1266 })
1267 (type: [am = s]
1268 {exp coef:0} = {
1269 0.64380000000E-01 1.0000000000
1270 })
1271 (type: [am = p am = p]
1272 {exp coef:0 coef:1} = {
1273 1780.0000000 0.20120600000E-03 -0.42715200000E-04
1274 421.80000000 0.17493700000E-02 -0.37703900000E-03
1275 136.70000000 0.94814100000E-02 -0.20224000000E-02
1276 51.810000000 0.37231300000E-01 -0.81283300000E-02
1277 21.600000000 0.11076300000 -0.24227200000E-01
1278 9.5630000000 0.23793300000 -0.54382500000E-01
1279 4.3500000000 0.35369100000 -0.79905100000E-01
1280 2.0060000000 0.32883900000 -0.88895800000E-01
1281 })
1282 (type: [am = p]
1283 {exp coef:0} = {
1284 0.92050000000 1.0000000000
1285 })
1286 (type: [am = p]
1287 {exp coef:0} = {
1288 0.35000000000 1.0000000000
1289 })
1290 (type: [am = p]
1291 {exp coef:0} = {
1292 0.13810000000 1.0000000000
1293 })
1294 (type: [am = p]
1295 {exp coef:0} = {
1296 0.53380000000E-01 1.0000000000
1297 })
1298 (type: [(am = d puream = 1)]
1299 {exp coef:0} = {
1300 0.12600000000 1.0000000000
1301 })
1302 (type: [(am = d puream = 1)]
1303 {exp coef:0} = {
1304 0.32100000000 1.0000000000
1305 })
1306 (type: [(am = d puream = 1)]
1307 {exp coef:0} = {
1308 0.81700000000 1.0000000000
1309 })
1310 (type: [(am = d puream = 1)]
1311 {exp coef:0} = {
1312 2.0820000000 1.0000000000
1313 })
1314 (type: [(am = f puream = 1)]
1315 {exp coef:0} = {
1316 0.16900000000 1.0000000000
1317 })
1318 (type: [(am = f puream = 1)]
1319 {exp coef:0} = {
1320 0.34100000000 1.0000000000
1321 })
1322 (type: [(am = f puream = 1)]
1323 {exp coef:0} = {
1324 0.68800000000 1.0000000000
1325 })
1326 (type: [(am = g puream = 1)]
1327 {exp coef:0} = {
1328 0.32000000000 1.0000000000
1329 })
1330 (type: [(am = g puream = 1)]
1331 {exp coef:0} = {
1332 0.70500000000 1.0000000000
1333 })
1334 (type: [(am = h puream = 1)]
1335 {exp coef:0} = {
1336 0.58300000000 1.0000000000
1337 })
1338 ]
1339%
1340% BASIS SET: (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]
1341 phosphorus: "cc-pV5Z": [
1342 (type: [am = s am = s am = s]
1343 {exp coef:0 coef:1 coef:2} = {
1344 4666000.0000 0.19675900000E-05 -0.53415300000E-06 0.14677600000E-06
1345 698600.00000 0.15296300000E-04 -0.41542200000E-05 0.11406400000E-05
1346 159000.00000 0.80482600000E-04 -0.21848400000E-04 0.60056800000E-05
1347 45040.000000 0.33973700000E-03 -0.92327200000E-04 0.25342700000E-04
1348 14720.000000 0.12329100000E-02 -0.33510900000E-03 0.92160600000E-04
1349 5323.0000000 0.40134500000E-02 -0.10950800000E-02 0.30056300000E-03
1350 2076.0000000 0.11912400000E-01 -0.32679800000E-02 0.89988400000E-03
1351 861.10000000 0.32251100000E-01 -0.89995100000E-02 0.24735400000E-02
1352 375.70000000 0.78664300000E-01 -0.22652800000E-01 0.62681200000E-02
1353 170.80000000 0.16645800000 -0.51465000000E-01 0.14259800000E-01
1354 80.290000000 0.28303900000 -0.10018600000 0.28276900000E-01
1355 38.770000000 0.33194200000 -0.15507500000 0.44512400000E-01
1356 18.930000000 0.20335200000 -0.13381800000 0.40721700000E-01
1357 8.7960000000 0.38318300000E-01 0.87836100000E-01 -0.30190800000E-01
1358 4.3580000000 -0.38472000000E-03 0.42258100000 -0.15289400000
1359 2.1740000000 0.15874400000E-02 0.47489900000 -0.28241100000
1360 })
1361 (type: [am = s]
1362 {exp coef:0} = {
1363 1.0950000000 1.0000000000
1364 })
1365 (type: [am = s]
1366 {exp coef:0} = {
1367 0.44000000000 1.0000000000
1368 })
1369 (type: [am = s]
1370 {exp coef:0} = {
1371 0.19450000000 1.0000000000
1372 })
1373 (type: [am = s]
1374 {exp coef:0} = {
1375 0.83760000000E-01 1.0000000000
1376 })
1377 (type: [am = p am = p]
1378 {exp coef:0 coef:1} = {
1379 2010.0000000 0.21591500000E-03 -0.51144400000E-04
1380 476.30000000 0.18753600000E-02 -0.44835600000E-03
1381 154.40000000 0.10174200000E-01 -0.24234000000E-02
1382 58.510000000 0.39985600000E-01 -0.96982600000E-02
1383 24.400000000 0.11856300000 -0.29096500000E-01
1384 10.800000000 0.25181600000 -0.64172600000E-01
1385 4.9130000000 0.36656500000 -0.94507100000E-01
1386 2.2690000000 0.31617700000 -0.93470000000E-01
1387 })
1388 (type: [am = p]
1389 {exp coef:0} = {
1390 1.0430000000 1.0000000000
1391 })
1392 (type: [am = p]
1393 {exp coef:0} = {
1394 0.43130000000 1.0000000000
1395 })
1396 (type: [am = p]
1397 {exp coef:0} = {
1398 0.17670000000 1.0000000000
1399 })
1400 (type: [am = p]
1401 {exp coef:0} = {
1402 0.70090000000E-01 1.0000000000
1403 })
1404 (type: [(am = d puream = 1)]
1405 {exp coef:0} = {
1406 0.16600000000 1.0000000000
1407 })
1408 (type: [(am = d puream = 1)]
1409 {exp coef:0} = {
1410 0.41800000000 1.0000000000
1411 })
1412 (type: [(am = d puream = 1)]
1413 {exp coef:0} = {
1414 1.0540000000 1.0000000000
1415 })
1416 (type: [(am = d puream = 1)]
1417 {exp coef:0} = {
1418 2.6560000000 1.0000000000
1419 })
1420 (type: [(am = f puream = 1)]
1421 {exp coef:0} = {
1422 0.21900000000 1.0000000000
1423 })
1424 (type: [(am = f puream = 1)]
1425 {exp coef:0} = {
1426 0.45000000000 1.0000000000
1427 })
1428 (type: [(am = f puream = 1)]
1429 {exp coef:0} = {
1430 0.92300000000 1.0000000000
1431 })
1432 (type: [(am = g puream = 1)]
1433 {exp coef:0} = {
1434 0.41200000000 1.0000000000
1435 })
1436 (type: [(am = g puream = 1)]
1437 {exp coef:0} = {
1438 0.90300000000 1.0000000000
1439 })
1440 (type: [(am = h puream = 1)]
1441 {exp coef:0} = {
1442 0.74500000000 1.0000000000
1443 })
1444 ]
1445%
1446% BASIS SET: (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]
1447 sulfur: "cc-pV5Z": [
1448 (type: [am = s am = s am = s]
1449 {exp coef:0 coef:1 coef:2} = {
1450 5481000.0000 0.18933800000E-05 -0.52291200000E-06 0.15182300000E-06
1451 820600.00000 0.14721100000E-04 -0.40669000000E-05 0.11800800000E-05
1452 186700.00000 0.77508400000E-04 -0.21406500000E-04 0.62169900000E-05
1453 52880.000000 0.32722400000E-03 -0.90454000000E-04 0.26240500000E-04
1454 17250.000000 0.11936500000E-02 -0.33008000000E-03 0.95904000000E-04
1455 6226.0000000 0.38839300000E-02 -0.10778200000E-02 0.31267800000E-03
1456 2429.0000000 0.11533600000E-01 -0.32187400000E-02 0.93632200000E-03
1457 1007.0000000 0.31274800000E-01 -0.88721700000E-02 0.25779000000E-02
1458 439.50000000 0.76438700000E-01 -0.22377100000E-01 0.65412100000E-02
1459 199.80000000 0.16270000000 -0.51057700000E-01 0.14963000000E-01
1460 93.920000000 0.27932800000 -0.10022500000 0.29894000000E-01
1461 45.340000000 0.33314500000 -0.15679500000 0.47694600000E-01
1462 22.150000000 0.20983600000 -0.13974800000 0.44955600000E-01
1463 10.340000000 0.41597400000E-01 0.81005900000E-01 -0.29300900000E-01
1464 5.1190000000 -0.45055200000E-03 0.43088300000 -0.16891600000
1465 2.5530000000 0.16885500000E-02 0.48168800000 -0.31101400000
1466 })
1467 (type: [am = s]
1468 {exp coef:0} = {
1469 1.2820000000 1.0000000000
1470 })
1471 (type: [am = s]
1472 {exp coef:0} = {
1473 0.54500000000 1.0000000000
1474 })
1475 (type: [am = s]
1476 {exp coef:0} = {
1477 0.24110000000 1.0000000000
1478 })
1479 (type: [am = s]
1480 {exp coef:0} = {
1481 0.10350000000 1.0000000000
1482 })
1483 (type: [am = p am = p]
1484 {exp coef:0 coef:1} = {
1485 2200.0000000 0.23904900000E-03 -0.60856200000E-04
1486 521.40000000 0.20768600000E-02 -0.53041900000E-03
1487 169.00000000 0.11236300000E-01 -0.28791500000E-02
1488 64.050000000 0.44069000000E-01 -0.11439700000E-01
1489 26.720000000 0.12916800000 -0.34276400000E-01
1490 11.830000000 0.26908300000 -0.73581100000E-01
1491 5.3780000000 0.37861100000 -0.10778200000
1492 2.4820000000 0.29677900000 -0.87976900000E-01
1493 })
1494 (type: [am = p]
1495 {exp coef:0} = {
1496 1.1160000000 1.0000000000
1497 })
1498 (type: [am = p]
1499 {exp coef:0} = {
1500 0.48480000000 1.0000000000
1501 })
1502 (type: [am = p]
1503 {exp coef:0} = {
1504 0.20060000000 1.0000000000
1505 })
1506 (type: [am = p]
1507 {exp coef:0} = {
1508 0.79510000000E-01 1.0000000000
1509 })
1510 (type: [(am = d puream = 1)]
1511 {exp coef:0} = {
1512 0.20500000000 1.0000000000
1513 })
1514 (type: [(am = d puream = 1)]
1515 {exp coef:0} = {
1516 0.51200000000 1.0000000000
1517 })
1518 (type: [(am = d puream = 1)]
1519 {exp coef:0} = {
1520 1.2810000000 1.0000000000
1521 })
1522 (type: [(am = d puream = 1)]
1523 {exp coef:0} = {
1524 3.2030000000 1.0000000000
1525 })
1526 (type: [(am = f puream = 1)]
1527 {exp coef:0} = {
1528 0.25500000000 1.0000000000
1529 })
1530 (type: [(am = f puream = 1)]
1531 {exp coef:0} = {
1532 0.52900000000 1.0000000000
1533 })
1534 (type: [(am = f puream = 1)]
1535 {exp coef:0} = {
1536 1.0960000000 1.0000000000
1537 })
1538 (type: [(am = g puream = 1)]
1539 {exp coef:0} = {
1540 0.46300000000 1.0000000000
1541 })
1542 (type: [(am = g puream = 1)]
1543 {exp coef:0} = {
1544 1.0710000000 1.0000000000
1545 })
1546 (type: [(am = h puream = 1)]
1547 {exp coef:0} = {
1548 0.87200000000 1.0000000000
1549 })
1550 ]
1551%
1552% BASIS SET: (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]
1553 chlorine: "cc-pV5Z": [
1554 (type: [am = s am = s am = s]
1555 {exp coef:0 coef:1 coef:2} = {
1556 6410000.0000 0.18135000000E-05 -0.50830300000E-06 0.15380800000E-06
1557 959600.00000 0.14111800000E-04 -0.39563300000E-05 0.11965400000E-05
1558 218300.00000 0.74240600000E-04 -0.20809500000E-04 0.62982800000E-05
1559 61810.000000 0.31413100000E-03 -0.88117500000E-04 0.26645000000E-04
1560 20140.000000 0.11464200000E-02 -0.32174200000E-03 0.97416200000E-04
1561 7264.0000000 0.37388800000E-02 -0.10527700000E-02 0.31836000000E-03
1562 2832.0000000 0.11094600000E-01 -0.31418300000E-02 0.95237700000E-03
1563 1175.0000000 0.30115200000E-01 -0.86636300000E-02 0.26243000000E-02
1564 512.60000000 0.73914500000E-01 -0.21935300000E-01 0.66816000000E-02
1565 233.00000000 0.15825800000 -0.50258400000E-01 0.15359500000E-01
1566 109.50000000 0.27475300000 -0.99541400000E-01 0.30943200000E-01
1567 52.860000000 0.33406600000 -0.15764700000 0.50063800000E-01
1568 25.840000000 0.21758900000 -0.14602400000 0.48978200000E-01
1569 12.170000000 0.45727800000E-01 0.69223000000E-01 -0.26080700000E-01
1570 6.0300000000 -0.13473900000E-03 0.43041200000 -0.17842600000
1571 3.0120000000 0.16393300000E-02 0.49080200000 -0.33232400000
1572 })
1573 (type: [am = s]
1574 {exp coef:0} = {
1575 1.5110000000 1.0000000000
1576 })
1577 (type: [am = s]
1578 {exp coef:0} = {
1579 0.66040000000 1.0000000000
1580 })
1581 (type: [am = s]
1582 {exp coef:0} = {
1583 0.29260000000 1.0000000000
1584 })
1585 (type: [am = s]
1586 {exp coef:0} = {
1587 0.12540000000 1.0000000000
1588 })
1589 (type: [am = p am = p]
1590 {exp coef:0 coef:1} = {
1591 2548.0000000 0.23570200000E-03 -0.63541000000E-04
1592 603.70000000 0.20515800000E-02 -0.55325900000E-03
1593 195.60000000 0.11154300000E-01 -0.30279500000E-02
1594 74.150000000 0.43981600000E-01 -0.12065000000E-01
1595 30.940000000 0.12999400000 -0.36634800000E-01
1596 13.690000000 0.27295900000 -0.79076400000E-01
1597 6.2290000000 0.38369000000 -0.11742200000
1598 2.8780000000 0.29187000000 -0.86094300000E-01
1599 })
1600 (type: [am = p]
1601 {exp coef:0} = {
1602 1.2820000000 1.0000000000
1603 })
1604 (type: [am = p]
1605 {exp coef:0} = {
1606 0.56410000000 1.0000000000
1607 })
1608 (type: [am = p]
1609 {exp coef:0} = {
1610 0.23480000000 1.0000000000
1611 })
1612 (type: [am = p]
1613 {exp coef:0} = {
1614 0.93120000000E-01 1.0000000000
1615 })
1616 (type: [(am = d puream = 1)]
1617 {exp coef:0} = {
1618 0.25000000000 1.0000000000
1619 })
1620 (type: [(am = d puream = 1)]
1621 {exp coef:0} = {
1622 0.61800000000 1.0000000000
1623 })
1624 (type: [(am = d puream = 1)]
1625 {exp coef:0} = {
1626 1.5290000000 1.0000000000
1627 })
1628 (type: [(am = d puream = 1)]
1629 {exp coef:0} = {
1630 3.7810000000 1.0000000000
1631 })
1632 (type: [(am = f puream = 1)]
1633 {exp coef:0} = {
1634 0.32000000000 1.0000000000
1635 })
1636 (type: [(am = f puream = 1)]
1637 {exp coef:0} = {
1638 0.65600000000 1.0000000000
1639 })
1640 (type: [(am = f puream = 1)]
1641 {exp coef:0} = {
1642 1.3450000000 1.0000000000
1643 })
1644 (type: [(am = g puream = 1)]
1645 {exp coef:0} = {
1646 0.55600000000 1.0000000000
1647 })
1648 (type: [(am = g puream = 1)]
1649 {exp coef:0} = {
1650 1.3020000000 1.0000000000
1651 })
1652 (type: [(am = h puream = 1)]
1653 {exp coef:0} = {
1654 1.0530000000 1.0000000000
1655 })
1656 ]
1657%
1658% BASIS SET: (20s,12p,4d,3f,2g,1h) -> [7s,6p,4d,3f,2g,1h]
1659 argon: "cc-pV5Z": [
1660 (type: [am = s am = s am = s]
1661 {exp coef:0 coef:1 coef:2} = {
1662 7401000.0000 0.17500000000E-05 -0.50000000000E-06 0.16000000000E-06
1663 1108000.0000 0.13610000000E-04 -0.38700000000E-05 0.12100000000E-05
1664 252100.00000 0.71630000000E-04 -0.20340000000E-04 0.63600000000E-05
1665 71380.000000 0.30303000000E-03 -0.86090000000E-04 0.26890000000E-04
1666 23260.000000 0.11060800000E-02 -0.31444000000E-03 0.98340000000E-04
1667 8390.0000000 0.36067100000E-02 -0.10284100000E-02 0.32129000000E-03
1668 3271.0000000 0.10713210000E-01 -0.30726700000E-02 0.96200000000E-03
1669 1357.0000000 0.29106770000E-01 -0.84753200000E-02 0.26524500000E-02
1670 592.00000000 0.71660110000E-01 -0.21520080000E-01 0.67703500000E-02
1671 269.10000000 0.15414053000 -0.49449320000E-01 0.15617270000E-01
1672 126.50000000 0.27041707000 -0.98775920000E-01 0.31716660000E-01
1673 61.030000000 0.33485470000 -0.15830822000 0.51997420000E-01
1674 29.860000000 0.22434631000 -0.15140298000 0.52475140000E-01
1675 14.170000000 0.50002840000E-01 0.58242640000E-01 -0.22641470000E-01
1676 7.0220000000 0.64590000000E-04 0.42938305000 -0.18606229000
1677 3.5110000000 0.16864100000E-02 0.49908884000 -0.35014547000
1678 })
1679 (type: [am = s]
1680 {exp coef:0} = {
1681 1.7580000000 1.0000000000
1682 })
1683 (type: [am = s]
1684 {exp coef:0} = {
1685 0.78410000000 1.0000000000
1686 })
1687 (type: [am = s]
1688 {exp coef:0} = {
1689 0.34800000000 1.0000000000
1690 })
1691 (type: [am = s]
1692 {exp coef:0} = {
1693 0.14910000000 1.0000000000
1694 })
1695 (type: [am = p am = p]
1696 {exp coef:0 coef:1} = {
1697 2927.0000000 0.23199000000E-03 -0.64910000000E-04
1698 693.50000000 0.20232900000E-02 -0.56531000000E-03
1699 224.70000000 0.11034010000E-01 -0.31098800000E-02
1700 85.170000000 0.43839700000E-01 -0.12469640000E-01
1701 35.530000000 0.13035904000 -0.38224650000E-01
1702 15.730000000 0.27574991000 -0.83079180000E-01
1703 7.1650000000 0.38764330000 -0.12459409000
1704 3.3220000000 0.28740741000 -0.83297130000E-01
1705 })
1706 (type: [am = p]
1707 {exp coef:0} = {
1708 1.4780000000 1.0000000000
1709 })
1710 (type: [am = p]
1711 {exp coef:0} = {
1712 0.65520000000 1.0000000000
1713 })
1714 (type: [am = p]
1715 {exp coef:0} = {
1716 0.27510000000 1.0000000000
1717 })
1718 (type: [am = p]
1719 {exp coef:0} = {
1720 0.10970000000 1.0000000000
1721 })
1722 (type: [(am = d puream = 1)]
1723 {exp coef:0} = {
1724 0.30900000000 1.0000000000
1725 })
1726 (type: [(am = d puream = 1)]
1727 {exp coef:0} = {
1728 0.77000000000 1.0000000000
1729 })
1730 (type: [(am = d puream = 1)]
1731 {exp coef:0} = {
1732 1.9170000000 1.0000000000
1733 })
1734 (type: [(am = d puream = 1)]
1735 {exp coef:0} = {
1736 4.7760000000 1.0000000000
1737 })
1738 (type: [(am = f puream = 1)]
1739 {exp coef:0} = {
1740 0.40800000000 1.0000000000
1741 })
1742 (type: [(am = f puream = 1)]
1743 {exp coef:0} = {
1744 0.82500000000 1.0000000000
1745 })
1746 (type: [(am = f puream = 1)]
1747 {exp coef:0} = {
1748 1.6680000000 1.0000000000
1749 })
1750 (type: [(am = g puream = 1)]
1751 {exp coef:0} = {
1752 0.66500000000 1.0000000000
1753 })
1754 (type: [(am = g puream = 1)]
1755 {exp coef:0} = {
1756 1.5620000000 1.0000000000
1757 })
1758 (type: [(am = h puream = 1)]
1759 {exp coef:0} = {
1760 1.2640000000 1.0000000000
1761 })
1762 ]
1763%
1764% BASIS SET: (26s,18p,8d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
1765 calcium: "cc-pV5Z": [
1766 (type: [am = s am = s am = s am = s]
1767 {exp coef:0 coef:1 coef:2 coef:3} = {
1768 28249600.000 0.43000000000E-06 -0.12000000000E-06 0.40000000000E-07 -0.10000000000E-07
1769 4250190.0000 0.32900000000E-05 -0.96000000000E-06 0.33000000000E-06 -0.80000000000E-07
1770 975014.00000 0.17140000000E-04 -0.49700000000E-05 0.17200000000E-05 -0.41000000000E-06
1771 277446.00000 0.72280000000E-04 -0.20990000000E-04 0.72400000000E-05 -0.17300000000E-05
1772 90454.700000 0.26522000000E-03 -0.77010000000E-04 0.26560000000E-04 -0.63400000000E-05
1773 32515.900000 0.87484000000E-03 -0.25431000000E-03 0.87720000000E-04 -0.20940000000E-04
1774 12610.600000 0.26499100000E-02 -0.77168000000E-03 0.26618000000E-03 -0.63560000000E-04
1775 5190.7700000 0.74844700000E-02 -0.21908300000E-02 0.75622000000E-03 -0.18056000000E-03
1776 2242.3300000 0.19730930000E-01 -0.58356700000E-02 0.20161800000E-02 -0.48155000000E-03
1777 1011.5300000 0.47797990000E-01 -0.14468690000E-01 0.50120300000E-02 -0.11972100000E-02
1778 475.54700000 0.10359562000 -0.32803840000E-01 0.11414850000E-01 -0.27288900000E-02
1779 232.07200000 0.19293018000 -0.66744350000E-01 0.23454260000E-01 -0.56118700000E-02
1780 116.87400000 0.28626757000 -0.11668667000 0.41737840000E-01 -0.10013050000E-01
1781 60.342700000 0.29278494000 -0.15919701000 0.58943050000E-01 -0.14190510000E-01
1782 31.524400000 0.16312798000 -0.11620650000 0.45034190000E-01 -0.10921700000E-01
1783 16.030800000 0.32216880000E-01 0.10547012000 -0.44376180000E-01 0.10863430000E-01
1784 8.4599200000 0.59258000000E-03 0.42483472000 -0.21875449000 0.55014930000E-01
1785 4.5271800000 0.10479000000E-02 0.45779736000 -0.36363043000 0.96882140000E-01
1786 2.4185900000 -0.38379000000E-03 0.16619966000 -0.15422068000 0.39479680000E-01
1787 1.2512900000 0.15772000000E-03 0.14623860000E-01 0.35238152000 -0.10866983000
1788 0.64343000000 -0.14357000000E-03 0.20465400000E-02 0.61412099000 -0.22728320000
1789 0.32918000000 0.57700000000E-04 0.19519000000E-03 0.30037275000 -0.25708490000
1790 })
1791 (type: [am = s]
1792 {exp coef:0} = {
1793 0.14239000000 1.0000000000
1794 })
1795 (type: [am = s]
1796 {exp coef:0} = {
1797 0.78190000000E-01 1.0000000000
1798 })
1799 (type: [am = s]
1800 {exp coef:0} = {
1801 0.37630000000E-01 1.0000000000
1802 })
1803 (type: [am = s]
1804 {exp coef:0} = {
1805 0.18290000000E-01 1.0000000000
1806 })
1807 (type: [am = p am = p am = p]
1808 {exp coef:0 coef:1 coef:2} = {
1809 406353.00000 0.23000000000E-06 -0.70000000000E-07 0.20000000000E-07
1810 13600.700000 0.23930000000E-04 -0.77900000000E-05 0.16200000000E-05
1811 3235.4700000 0.21218000000E-03 -0.69080000000E-04 0.14390000000E-04
1812 1053.0500000 0.12273300000E-02 -0.40059000000E-03 0.83540000000E-04
1813 403.56900000 0.54527700000E-02 -0.17849000000E-02 0.37208000000E-03
1814 171.49000000 0.19626690000E-01 -0.64832000000E-02 0.13533300000E-02
1815 78.236300000 0.58279930000E-01 -0.19562440000E-01 0.40864200000E-02
1816 37.606500000 0.13955299000 -0.48247670000E-01 0.10110730000E-01
1817 18.709000000 0.25592562000 -0.91286110000E-01 0.19167250000E-01
1818 9.5004100000 0.33998132000 -0.12842086000 0.27161320000E-01
1819 4.9055700000 0.27304774000 -0.99522920000E-01 0.20807740000E-01
1820 2.5267000000 0.96441480000E-01 0.90123840000E-01 -0.23085150000E-01
1821 1.2713900000 0.95523100000E-02 0.35519880000 -0.85510940000E-01
1822 0.62601000000 0.67589000000E-03 0.44448891000 -0.11794499000
1823 })
1824 (type: [am = p]
1825 {exp coef:0} = {
1826 0.30099000000 1.0000000000
1827 })
1828 (type: [am = p]
1829 {exp coef:0} = {
1830 0.11769000000 1.0000000000
1831 })
1832 (type: [am = p]
1833 {exp coef:0} = {
1834 0.51160000000E-01 1.0000000000
1835 })
1836 (type: [am = p]
1837 {exp coef:0} = {
1838 0.21420000000E-01 1.0000000000
1839 })
1840 (type: [(am = d puream = 1)]
1841 {exp coef:0} = {
1842 39.562800000 0.34460000000E-02
1843 11.437300000 0.21360000000E-01
1844 3.9674300000 0.75448000000E-01
1845 1.5247800000 0.17152800000
1846 })
1847 (type: [(am = d puream = 1)]
1848 {exp coef:0} = {
1849 0.59047000000 1.0000000000
1850 })
1851 (type: [(am = d puream = 1)]
1852 {exp coef:0} = {
1853 0.21914000000 1.0000000000
1854 })
1855 (type: [(am = d puream = 1)]
1856 {exp coef:0} = {
1857 0.79570000000E-01 1.0000000000
1858 })
1859 (type: [(am = d puream = 1)]
1860 {exp coef:0} = {
1861 0.28340000000E-01 1.0000000000
1862 })
1863 (type: [(am = f puream = 1)]
1864 {exp coef:0} = {
1865 0.86000000000E-01 1.0000000000
1866 })
1867 (type: [(am = f puream = 1)]
1868 {exp coef:0} = {
1869 0.25800000000 1.0000000000
1870 })
1871 (type: [(am = f puream = 1)]
1872 {exp coef:0} = {
1873 0.77410000000 1.0000000000
1874 })
1875 (type: [(am = g puream = 1)]
1876 {exp coef:0} = {
1877 0.10120000000 1.0000000000
1878 })
1879 (type: [(am = g puream = 1)]
1880 {exp coef:0} = {
1881 0.30230000000 1.0000000000
1882 })
1883 (type: [(am = h puream = 1)]
1884 {exp coef:0} = {
1885 0.25340000000 1.0000000000
1886 })
1887 ]
1888%
1889% BASIS SET: (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
1890 gallium: "cc-pV5Z": [
1891 (type: [am = s am = s am = s am = s]
1892 {exp coef:0 coef:1 coef:2 coef:3} = {
1893 108615220.00 0.24000000000E-06 -0.70000000000E-07 0.30000000000E-07 -0.70000000000E-08
1894 16264540.000 0.18600000000E-05 -0.58000000000E-06 0.22000000000E-06 -0.51000000000E-07
1895 3700111.6000 0.98000000000E-05 -0.30300000000E-05 0.11600000000E-05 -0.27000000000E-06
1896 1047169.1000 0.41520000000E-04 -0.12870000000E-04 0.49100000000E-05 -0.11420000000E-05
1897 341067.57000 0.15205000000E-03 -0.47140000000E-04 0.17980000000E-04 -0.41830000000E-05
1898 122771.54000 0.50077000000E-03 -0.15530000000E-03 0.59200000000E-04 -0.13781000000E-04
1899 47659.578000 0.15187000000E-02 -0.47180000000E-03 0.18010000000E-03 -0.41882000000E-04
1900 19633.354000 0.43025000000E-02 -0.13405000000E-02 0.51140000000E-03 -0.11902300000E-03
1901 8488.7347000 0.11452300000E-01 -0.35955000000E-02 0.13740000000E-02 -0.31960000000E-03
1902 3823.1381000 0.28564000000E-01 -0.91016000000E-02 0.34818000000E-02 -0.81070000000E-03
1903 1784.4755000 0.65748500000E-01 -0.21636000000E-01 0.83169000000E-02 -0.19360000000E-02
1904 860.05305000 0.13528950000 -0.47336500000E-01 0.18318000000E-01 -0.42722000000E-02
1905 426.69867000 0.23455140000 -0.92499700000E-01 0.36390300000E-01 -0.84945000000E-02
1906 217.26161000 0.30783510000 -0.15043510000 0.60808300000E-01 -0.14270900000E-01
1907 112.96987000 0.25299470000 -0.17212270000 0.73293900000E-01 -0.17268100000E-01
1908 59.449441000 0.96010400000E-01 -0.44017900000E-01 0.19741600000E-01 -0.47782000000E-02
1909 30.782256000 0.97885000000E-02 0.29738280000 -0.16129700000 0.39492700000E-01
1910 16.423212000 0.59120000000E-03 0.52797480000 -0.40219480000 0.10272000000
1911 8.7578890000 -0.55400000000E-04 0.30089050000 -0.29272480000 0.77352900000E-01
1912 4.4096290000 0.13800000000E-04 0.45881900000E-01 0.27069420000 -0.84956500000E-01
1913 2.2494490000 -0.64200000000E-04 0.12828000000E-02 0.63597590000 -0.22198340000
1914 1.1261150000 0.16900000000E-04 0.12588000000E-02 0.37024890000 -0.25320890000
1915 })
1916 (type: [am = s]
1917 {exp coef:0} = {
1918 0.51548600000 1.0000000000
1919 })
1920 (type: [am = s]
1921 {exp coef:0} = {
1922 0.24257800000 1.0000000000
1923 })
1924 (type: [am = s]
1925 {exp coef:0} = {
1926 0.10708600000 1.0000000000
1927 })
1928 (type: [am = s]
1929 {exp coef:0} = {
1930 0.46988000000E-01 1.0000000000
1931 })
1932 (type: [am = p am = p am = p]
1933 {exp coef:0 coef:1 coef:2} = {
1934 32152.190000 0.28300000000E-04 -0.10700000000E-04 0.17000000000E-05
1935 7609.3842000 0.25290000000E-03 -0.95800000000E-04 0.15800000000E-04
1936 2471.4744000 0.14686000000E-02 -0.55820000000E-03 0.90800000000E-04
1937 946.06363000 0.65627000000E-02 -0.25040000000E-02 0.41200000000E-03
1938 401.94711000 0.23802300000E-01 -0.91996000000E-02 0.14984000000E-02
1939 183.64688000 0.70894500000E-01 -0.27997300000E-01 0.46252000000E-02
1940 88.533264000 0.16763840000 -0.68874600000E-01 0.11271300000E-01
1941 44.270355000 0.29597540000 -0.12738430000 0.21321200000E-01
1942 22.723083000 0.34886100000 -0.15858890000 0.25952300000E-01
1943 11.823141000 0.21754960000 -0.42496800000E-01 0.66320000000E-02
1944 6.0421350000 0.52051100000E-01 0.24414400000 -0.50170400000E-01
1945 3.0317540000 0.34378000000E-02 0.44591110000 -0.84297700000E-01
1946 1.4933660000 0.98330000000E-03 0.35295220000 -0.90302300000E-01
1947 })
1948 (type: [am = p]
1949 {exp coef:0} = {
1950 0.70972700000 1.0000000000
1951 })
1952 (type: [am = p]
1953 {exp coef:0} = {
1954 0.24859300000 1.0000000000
1955 })
1956 (type: [am = p]
1957 {exp coef:0} = {
1958 0.94395000000E-01 1.0000000000
1959 })
1960 (type: [am = p]
1961 {exp coef:0} = {
1962 0.35887000000E-01 1.0000000000
1963 })
1964 (type: [(am = d puream = 1)]
1965 {exp coef:0} = {
1966 1040.5046000 0.89200000000E-04
1967 314.59714000 0.86250000000E-03
1968 122.78760000 0.50094000000E-02
1969 54.760369000 0.19964900000E-01
1970 26.298944000 0.58321400000E-01
1971 13.263445000 0.13168680000
1972 6.8850650000 0.22186760000
1973 3.5795250000 0.28250590000
1974 1.8315640000 0.28319890000
1975 })
1976 (type: [(am = d puream = 1)]
1977 {exp coef:0} = {
1978 0.91290900000 1.0000000000
1979 })
1980 (type: [(am = d puream = 1)]
1981 {exp coef:0} = {
1982 0.43534000000 1.0000000000
1983 })
1984 (type: [(am = d puream = 1)]
1985 {exp coef:0} = {
1986 0.18851800000 1.0000000000
1987 })
1988 (type: [(am = d puream = 1)]
1989 {exp coef:0} = {
1990 0.75800000000E-01 1.0000000000
1991 })
1992 (type: [(am = f puream = 1)]
1993 {exp coef:0} = {
1994 0.13400000000 1.0000000000
1995 })
1996 (type: [(am = f puream = 1)]
1997 {exp coef:0} = {
1998 0.28260000000 1.0000000000
1999 })
2000 (type: [(am = f puream = 1)]
2001 {exp coef:0} = {
2002 0.59600000000 1.0000000000
2003 })
2004 (type: [(am = g puream = 1)]
2005 {exp coef:0} = {
2006 0.27500000000 1.0000000000
2007 })
2008 (type: [(am = g puream = 1)]
2009 {exp coef:0} = {
2010 0.61460000000 1.0000000000
2011 })
2012 (type: [(am = h puream = 1)]
2013 {exp coef:0} = {
2014 0.49860000000 1.0000000000
2015 })
2016 ]
2017%
2018% BASIS SET: (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
2019 germanium: "cc-pV5Z": [
2020 (type: [am = s am = s am = s am = s]
2021 {exp coef:0 coef:1 coef:2 coef:3} = {
2022 122001190.00 0.22000000000E-06 -0.70000000000E-07 0.30000000000E-07 -0.70000000000E-08
2023 18257470.000 0.17500000000E-05 -0.54000000000E-06 0.21000000000E-06 -0.54000000000E-07
2024 4150821.5000 0.92000000000E-05 -0.28600000000E-05 0.11000000000E-05 -0.28300000000E-06
2025 1174101.8000 0.38990000000E-04 -0.12130000000E-04 0.46700000000E-05 -0.11200000000E-05
2026 382309.15000 0.14280000000E-03 -0.44430000000E-04 0.17130000000E-04 -0.43910000000E-05
2027 137607.96000 0.47030000000E-03 -0.14640000000E-03 0.56400000000E-04 -0.14461000000E-04
2028 53419.242000 0.14267000000E-02 -0.44470000000E-03 0.17150000000E-03 -0.43965000000E-04
2029 22005.756000 0.40434000000E-02 -0.12637000000E-02 0.48720000000E-03 -0.12490000000E-03
2030 9513.8479000 0.10773200000E-01 -0.33920000000E-02 0.13097000000E-02 -0.33580000000E-03
2031 4284.1756000 0.26927300000E-01 -0.85979000000E-02 0.33232000000E-02 -0.85250000000E-03
2032 1999.1664000 0.62237400000E-01 -0.20496400000E-01 0.79591000000E-02 -0.20424000000E-02
2033 963.24716000 0.12903820000 -0.45057100000E-01 0.17609700000E-01 -0.45245000000E-02
2034 477.80500000 0.22673120000 -0.88792200000E-01 0.35257600000E-01 -0.90744000000E-02
2035 243.31589000 0.30489030000 -0.14662990000 0.59768700000E-01 -0.15448300000E-01
2036 126.63999000 0.26176620000 -0.17431400000 0.74740600000E-01 -0.19433800000E-01
2037 66.783579000 0.10763480000 -0.61165600000E-01 0.27786300000E-01 -0.73289000000E-02
2038 34.416084000 0.12623400000E-01 0.27166900000 -0.14728780000 0.39648500000E-01
2039 18.372814000 0.39180000000E-03 0.52802260000 -0.39742020000 0.11217960000
2040 9.8054610000 0.81200000000E-04 0.32401380000 -0.32056660000 0.93568600000E-01
2041 4.9694030000 -0.48900000000E-04 0.54417700000E-01 0.23319680000 -0.80645900000E-01
2042 2.5486230000 -0.31700000000E-04 0.14463000000E-02 0.64248900000 -0.25011090000
2043 1.2845940000 -0.10900000000E-05 0.14248000000E-02 0.39666840000 -0.29780990000
2044 })
2045 (type: [am = s]
2046 {exp coef:0} = {
2047 0.58335300000 1.0000000000
2048 })
2049 (type: [am = s]
2050 {exp coef:0} = {
2051 0.29343900000 1.0000000000
2052 })
2053 (type: [am = s]
2054 {exp coef:0} = {
2055 0.13267200000 1.0000000000
2056 })
2057 (type: [am = s]
2058 {exp coef:0} = {
2059 0.59239000000E-01 1.0000000000
2060 })
2061 (type: [am = p am = p am = p]
2062 {exp coef:0 coef:1 coef:2} = {
2063 32314.970000 0.31600000000E-04 -0.12200000000E-04 0.24000000000E-05
2064 7648.2002000 0.28200000000E-03 -0.10840000000E-03 0.21400000000E-04
2065 2484.2114000 0.16353000000E-02 -0.63110000000E-03 0.12430000000E-03
2066 951.00305000 0.72864000000E-02 -0.28243000000E-02 0.55890000000E-03
2067 404.04833000 0.26293100000E-01 -0.10331700000E-01 0.20383000000E-02
2068 184.60354000 0.77594300000E-01 -0.31210200000E-01 0.62016000000E-02
2069 88.964128000 0.18036530000 -0.75595400000E-01 0.15010600000E-01
2070 44.447742000 0.30953540000 -0.13629440000 0.27412700000E-01
2071 22.799075000 0.34547520000 -0.15901500000 0.31779600000E-01
2072 11.835928000 0.19632900000 -0.14980500000E-01 0.92280000000E-03
2073 6.0112940000 0.40906800000E-01 0.28682250000 -0.69834200000E-01
2074 2.9957840000 0.24197000000E-02 0.46266560000 -0.11196000000
2075 1.4695700000 0.80030000000E-03 0.31685050000 -0.99356500000E-01
2076 })
2077 (type: [am = p]
2078 {exp coef:0} = {
2079 0.69068100000 1.0000000000
2080 })
2081 (type: [am = p]
2082 {exp coef:0} = {
2083 0.28616000000 1.0000000000
2084 })
2085 (type: [am = p]
2086 {exp coef:0} = {
2087 0.11774200000 1.0000000000
2088 })
2089 (type: [am = p]
2090 {exp coef:0} = {
2091 0.47385000000E-01 1.0000000000
2092 })
2093 (type: [(am = d puream = 1)]
2094 {exp coef:0} = {
2095 1226.7982000 0.76300000000E-04
2096 371.23223000 0.74250000000E-03
2097 144.89099000 0.43756000000E-02
2098 64.604130000 0.17925700000E-01
2099 31.039737000 0.53925300000E-01
2100 15.643870000 0.12571910000
2101 8.1258220000 0.21915660000
2102 4.2397620000 0.28606620000
2103 2.1863860000 0.28965040000
2104 })
2105 (type: [(am = d puream = 1)]
2106 {exp coef:0} = {
2107 1.1038710000 1.0000000000
2108 })
2109 (type: [(am = d puream = 1)]
2110 {exp coef:0} = {
2111 0.53381100000 1.0000000000
2112 })
2113 (type: [(am = d puream = 1)]
2114 {exp coef:0} = {
2115 0.23135500000 1.0000000000
2116 })
2117 (type: [(am = d puream = 1)]
2118 {exp coef:0} = {
2119 0.95300000000E-01 1.0000000000
2120 })
2121 (type: [(am = f puream = 1)]
2122 {exp coef:0} = {
2123 0.16300000000 1.0000000000
2124 })
2125 (type: [(am = f puream = 1)]
2126 {exp coef:0} = {
2127 0.32970000000 1.0000000000
2128 })
2129 (type: [(am = f puream = 1)]
2130 {exp coef:0} = {
2131 0.67090000000 1.0000000000
2132 })
2133 (type: [(am = g puream = 1)]
2134 {exp coef:0} = {
2135 0.31600000000 1.0000000000
2136 })
2137 (type: [(am = g puream = 1)]
2138 {exp coef:0} = {
2139 0.70340000000 1.0000000000
2140 })
2141 (type: [(am = h puream = 1)]
2142 {exp coef:0} = {
2143 0.58150000000 1.0000000000
2144 })
2145 ]
2146%
2147% BASIS SET: (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
2148 arsenic: "cc-pV5Z": [
2149 (type: [am = s am = s am = s am = s]
2150 {exp coef:0 coef:1 coef:2 coef:3} = {
2151 137507530.00 0.21000000000E-06 -0.70000000000E-07 0.30000000000E-07 -0.70000000000E-08
2152 20515052.000 0.16300000000E-05 -0.51000000000E-06 0.20000000000E-06 -0.55000000000E-07
2153 4648716.4000 0.86500000000E-05 -0.27000000000E-05 0.10500000000E-05 -0.28900000000E-06
2154 1311264.6000 0.36760000000E-04 -0.11470000000E-04 0.44700000000E-05 -0.12300000000E-05
2155 426185.86000 0.13488000000E-03 -0.42100000000E-04 0.16400000000E-04 -0.45170000000E-05
2156 153237.06000 0.44460000000E-03 -0.13880000000E-03 0.54040000000E-04 -0.14884000000E-04
2157 59459.404000 0.13488000000E-02 -0.42180000000E-03 0.16430000000E-03 -0.45265000000E-04
2158 24492.812000 0.38231000000E-02 -0.11984000000E-02 0.46690000000E-03 -0.12858200000E-03
2159 10590.253000 0.10190800000E-01 -0.32174000000E-02 0.12552000000E-02 -0.34580100000E-03
2160 4769.7841000 0.25502700000E-01 -0.81598000000E-02 0.31869000000E-02 -0.87803100000E-03
2161 2226.3698000 0.59110400000E-01 -0.19483400000E-01 0.76432000000E-02 -0.21073000000E-02
2162 1073.0862000 0.12328880000 -0.42978700000E-01 0.16966900000E-01 -0.46817000000E-02
2163 532.50059000 0.21917430000 -0.85298700000E-01 0.34190900000E-01 -0.94558000000E-02
2164 271.29755000 0.30136120000 -0.14284020000 0.58728700000E-01 -0.16299000000E-01
2165 141.31195000 0.26948920000 -0.17572820000 0.75885600000E-01 -0.21213800000E-01
2166 74.584433000 0.11912700000 -0.76412700000E-01 0.35061400000E-01 -0.98944000000E-02
2167 38.298338000 0.15698000000E-01 0.24665750000 -0.13386230000 0.38637900000E-01
2168 20.469130000 0.20470000000E-03 0.52538240000 -0.39136340000 0.11888930000
2169 10.939578000 0.22360000000E-03 0.34597240000 -0.34628200000 0.10889900000
2170 5.5903670000 -0.11680000000E-03 0.63953300000E-01 0.19413270000 -0.72207900000E-01
2171 2.8828590000 0.41900000000E-05 0.18299000000E-02 0.64519860000 -0.27180000000
2172 1.4660860000 -0.21670000000E-04 0.15645000000E-02 0.42348130000 -0.33716620000
2173 })
2174 (type: [am = s]
2175 {exp coef:0} = {
2176 0.67483900000 1.0000000000
2177 })
2178 (type: [am = s]
2179 {exp coef:0} = {
2180 0.34639900000 1.0000000000
2181 })
2182 (type: [am = s]
2183 {exp coef:0} = {
2184 0.15928900000 1.0000000000
2185 })
2186 (type: [am = s]
2187 {exp coef:0} = {
2188 0.72109000000E-01 1.0000000000
2189 })
2190 (type: [am = p am = p am = p]
2191 {exp coef:0 coef:1 coef:2} = {
2192 34166.161000 0.32200000000E-04 -0.12600000000E-04 0.28000000000E-05
2193 8086.5608000 0.28680000000E-03 -0.11190000000E-03 0.24900000000E-04
2194 2626.5114000 0.16633000000E-02 -0.65160000000E-03 0.14510000000E-03
2195 1005.3950000 0.74125000000E-02 -0.29173000000E-02 0.65040000000E-03
2196 427.12735000 0.26751200000E-01 -0.10673800000E-01 0.23818000000E-02
2197 195.15113000 0.78894400000E-01 -0.32245500000E-01 0.72207000000E-02
2198 94.054308000 0.18299160000 -0.77973100000E-01 0.17531800000E-01
2199 46.999880000 0.31249410000 -0.14010380000 0.31741400000E-01
2200 24.117457000 0.34453220000 -0.16071320000 0.36544900000E-01
2201 12.519982000 0.19164360000 -0.76703000000E-02 -0.16024000000E-02
2202 6.3573250000 0.38713600000E-01 0.30079830000 -0.82464400000E-01
2203 3.1680520000 0.22418000000E-02 0.47158780000 -0.13443720000
2204 1.5534810000 0.72090000000E-03 0.30320640000 -0.10516860000
2205 })
2206 (type: [am = p]
2207 {exp coef:0} = {
2208 0.71032500000 1.0000000000
2209 })
2210 (type: [am = p]
2211 {exp coef:0} = {
2212 0.32095500000 1.0000000000
2213 })
2214 (type: [am = p]
2215 {exp coef:0} = {
2216 0.13935700000 1.0000000000
2217 })
2218 (type: [am = p]
2219 {exp coef:0} = {
2220 0.58410000000E-01 1.0000000000
2221 })
2222 (type: [(am = d puream = 1)]
2223 {exp coef:0} = {
2224 1424.4506000 0.66600000000E-04
2225 431.06676000 0.65370000000E-03
2226 168.12864000 0.39041000000E-02
2227 74.866724000 0.16391900000E-01
2228 35.945855000 0.50623200000E-01
2229 18.098474000 0.12110210000
2230 9.4057800000 0.21681690000
2231 4.9239040000 0.28874520000
2232 2.5564930000 0.29477690000
2233 })
2234 (type: [(am = d puream = 1)]
2235 {exp coef:0} = {
2236 1.3042330000 1.0000000000
2237 })
2238 (type: [(am = d puream = 1)]
2239 {exp coef:0} = {
2240 0.63711800000 1.0000000000
2241 })
2242 (type: [(am = d puream = 1)]
2243 {exp coef:0} = {
2244 0.27579500000 1.0000000000
2245 })
2246 (type: [(am = d puream = 1)]
2247 {exp coef:0} = {
2248 0.11530000000 1.0000000000
2249 })
2250 (type: [(am = f puream = 1)]
2251 {exp coef:0} = {
2252 0.19600000000 1.0000000000
2253 })
2254 (type: [(am = f puream = 1)]
2255 {exp coef:0} = {
2256 0.38590000000 1.0000000000
2257 })
2258 (type: [(am = f puream = 1)]
2259 {exp coef:0} = {
2260 0.75990000000 1.0000000000
2261 })
2262 (type: [(am = g puream = 1)]
2263 {exp coef:0} = {
2264 0.37000000000 1.0000000000
2265 })
2266 (type: [(am = g puream = 1)]
2267 {exp coef:0} = {
2268 0.80920000000 1.0000000000
2269 })
2270 (type: [(am = h puream = 1)]
2271 {exp coef:0} = {
2272 0.67730000000 1.0000000000
2273 })
2274 ]
2275%
2276% BASIS SET: (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
2277 selenium: "cc-pV5Z": [
2278 (type: [am = s am = s am = s am = s]
2279 {exp coef:0 coef:1 coef:2 coef:3} = {
2280 154432250.00 0.19000000000E-06 -0.60000000000E-07 0.20000000000E-07 -0.70000000000E-08
2281 23129212.000 0.15100000000E-05 -0.47000000000E-06 0.19000000000E-06 -0.54000000000E-07
2282 5261792.9000 0.79600000000E-05 -0.24900000000E-05 0.98000000000E-06 -0.28700000000E-06
2283 1488816.7000 0.33750000000E-04 -0.10560000000E-04 0.41500000000E-05 -0.12140000000E-05
2284 484656.56000 0.12372000000E-03 -0.38730000000E-04 0.15240000000E-04 -0.44560000000E-05
2285 174270.63000 0.40839000000E-03 -0.12786000000E-03 0.50310000000E-04 -0.14706000000E-04
2286 67529.090000 0.12431000000E-02 -0.38980000000E-03 0.15346000000E-03 -0.44871000000E-04
2287 27750.837000 0.35389000000E-02 -0.11123000000E-02 0.43780000000E-03 -0.12798900000E-03
2288 11964.216000 0.94822000000E-02 -0.30007000000E-02 0.11827000000E-02 -0.34570200000E-03
2289 5370.7148000 0.23890100000E-01 -0.76563000000E-02 0.30208000000E-02 -0.88340000000E-03
2290 2497.3194000 0.55875700000E-01 -0.18422100000E-01 0.72992000000E-02 -0.21363000000E-02
2291 1198.7679000 0.11791040000 -0.41018400000E-01 0.16352800000E-01 -0.47892000000E-02
2292 592.58026000 0.21279620000 -0.82302600000E-01 0.33296200000E-01 -0.97758000000E-02
2293 300.97708000 0.29893040000 -0.13988400000 0.58013900000E-01 -0.17087700000E-01
2294 156.46024000 0.27656510000 -0.17703370000 0.77023300000E-01 -0.22865600000E-01
2295 82.476086000 0.12929410000 -0.88776100000E-01 0.41106500000E-01 -0.12302800000E-01
2296 42.270887000 0.18587500000E-01 0.22515370000 -0.12257820000 0.37525400000E-01
2297 22.630220000 0.77300000000E-04 0.52071710000 -0.38533970000 0.12443420000
2298 12.122374000 0.34270000000E-03 0.36450930000 -0.36750730000 0.12311950000
2299 6.2491700000 -0.17530000000E-03 0.73616900000E-01 0.15743400000 -0.62433000000E-01
2300 3.2426780000 0.35700000000E-04 0.23540000000E-02 0.64408720000 -0.28948340000
2301 1.6663620000 -0.40650000000E-04 0.16947000000E-02 0.44822090000 -0.37443990000
2302 })
2303 (type: [am = s]
2304 {exp coef:0} = {
2305 0.78726400000 1.0000000000
2306 })
2307 (type: [am = s]
2308 {exp coef:0} = {
2309 0.40297200000 1.0000000000
2310 })
2311 (type: [am = s]
2312 {exp coef:0} = {
2313 0.18709600000 1.0000000000
2314 })
2315 (type: [am = s]
2316 {exp coef:0} = {
2317 0.84706000000E-01 1.0000000000
2318 })
2319 (type: [am = p am = p am = p]
2320 {exp coef:0 coef:1 coef:2} = {
2321 36511.337000 0.32000000000E-04 -0.12700000000E-04 0.31000000000E-05
2322 8640.5510000 0.28540000000E-03 -0.11300000000E-03 0.27300000000E-04
2323 2805.6911000 0.16567000000E-02 -0.65820000000E-03 0.15930000000E-03
2324 1073.4961000 0.73955000000E-02 -0.29528000000E-02 0.71360000000E-03
2325 455.77475000 0.26754300000E-01 -0.10828900000E-01 0.26260000000E-02
2326 208.09432000 0.79098900000E-01 -0.32812400000E-01 0.79667000000E-02
2327 100.23111000 0.18379670000 -0.79507000000E-01 0.19444000000E-01
2328 50.073522000 0.31380410000 -0.14302740000 0.35132800000E-01
2329 25.700262000 0.34436500000 -0.16277870000 0.40402800000E-01
2330 13.346792000 0.18985910000 -0.42983000000E-02 -0.33969000000E-02
2331 6.7870510000 0.37919300000E-01 0.30918290000 -0.92099900000E-01
2332 3.3916540000 0.21781000000E-02 0.47760130000 -0.15350900000
2333 1.6703270000 0.65900000000E-03 0.29285260000 -0.10587050000
2334 })
2335 (type: [am = p]
2336 {exp coef:0} = {
2337 0.75259900000 1.0000000000
2338 })
2339 (type: [am = p]
2340 {exp coef:0} = {
2341 0.34681300000 1.0000000000
2342 })
2343 (type: [am = p]
2344 {exp coef:0} = {
2345 0.15185500000 1.0000000000
2346 })
2347 (type: [am = p]
2348 {exp coef:0} = {
2349 0.63856000000E-01 1.0000000000
2350 })
2351 (type: [(am = d puream = 1)]
2352 {exp coef:0} = {
2353 1635.0663000 0.59100000000E-04
2354 494.67266000 0.58400000000E-03
2355 192.84388000 0.35256000000E-02
2356 85.782195000 0.15112700000E-01
2357 41.149966000 0.47844600000E-01
2358 20.678170000 0.11743450000
2359 10.726386000 0.21590740000
2360 5.6124540000 0.29292160000
2361 2.9203760000 0.30008640000
2362 })
2363 (type: [(am = d puream = 1)]
2364 {exp coef:0} = {
2365 1.4981840000 1.0000000000
2366 })
2367 (type: [(am = d puream = 1)]
2368 {exp coef:0} = {
2369 0.73599900000 1.0000000000
2370 })
2371 (type: [(am = d puream = 1)]
2372 {exp coef:0} = {
2373 0.31600400000 1.0000000000
2374 })
2375 (type: [(am = d puream = 1)]
2376 {exp coef:0} = {
2377 0.13310000000 1.0000000000
2378 })
2379 (type: [(am = f puream = 1)]
2380 {exp coef:0} = {
2381 0.21000000000 1.0000000000
2382 })
2383 (type: [(am = f puream = 1)]
2384 {exp coef:0} = {
2385 0.42110000000 1.0000000000
2386 })
2387 (type: [(am = f puream = 1)]
2388 {exp coef:0} = {
2389 0.84420000000 1.0000000000
2390 })
2391 (type: [(am = g puream = 1)]
2392 {exp coef:0} = {
2393 0.38500000000 1.0000000000
2394 })
2395 (type: [(am = g puream = 1)]
2396 {exp coef:0} = {
2397 0.86590000000 1.0000000000
2398 })
2399 (type: [(am = h puream = 1)]
2400 {exp coef:0} = {
2401 0.72350000000 1.0000000000
2402 })
2403 ]
2404%
2405% BASIS SET: (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
2406 bromine: "cc-pV5Z": [
2407 (type: [am = s am = s am = s am = s]
2408 {exp coef:0 coef:1 coef:2 coef:3} = {
2409 165735150.00 0.19000000000E-06 -0.60000000000E-07 0.20000000000E-07 -0.70000000000E-08
2410 24774379.000 0.14900000000E-05 -0.47000000000E-06 0.19000000000E-06 -0.57000000000E-07
2411 5628202.0000 0.78800000000E-05 -0.24700000000E-05 0.98000000000E-06 -0.30100000000E-06
2412 1591899.7000 0.33390000000E-04 -0.10480000000E-04 0.41600000000E-05 -0.12760000000E-05
2413 518263.80000 0.12231000000E-03 -0.38400000000E-04 0.15260000000E-04 -0.46780000000E-05
2414 186490.92000 0.40321000000E-03 -0.12660000000E-03 0.50310000000E-04 -0.15416000000E-04
2415 72332.493000 0.12256400000E-02 -0.38545000000E-03 0.15325000000E-03 -0.46975000000E-04
2416 29761.135000 0.34823500000E-02 -0.10976100000E-02 0.43637000000E-03 -0.13372100000E-03
2417 12851.712000 0.93085600000E-02 -0.29537900000E-02 0.11758000000E-02 -0.36048500000E-03
2418 5780.9430000 0.23388300000E-01 -0.75146000000E-02 0.29946000000E-02 -0.91797600000E-03
2419 2695.0098000 0.54553000000E-01 -0.18023000000E-01 0.72119000000E-02 -0.22129000000E-02
2420 1297.6604000 0.11494790000 -0.40025500000E-01 0.16115100000E-01 -0.49473000000E-02
2421 643.63493000 0.20792250000 -0.80291900000E-01 0.32794300000E-01 -0.10095100000E-01
2422 327.95194000 0.29515960000 -0.13721660000 0.57430900000E-01 -0.17732400000E-01
2423 170.92262000 0.27987660000 -0.17694390000 0.77618700000E-01 -0.24165300000E-01
2424 90.250141000 0.13697520000 -0.97703300000E-01 0.45646400000E-01 -0.14318000000E-01
2425 46.292467000 0.21215400000E-01 0.20676330000 -0.11311710000 0.36281200000E-01
2426 24.848661000 -0.25400000000E-04 0.51484190000 -0.37955960000 0.12865520000
2427 13.347137000 0.45700000000E-03 0.37992060000 -0.38514940000 0.13568880000
2428 6.9482580000 -0.23480000000E-03 0.83012800000E-01 0.12368510000 -0.51676400000E-01
2429 3.6250750000 0.68580000000E-04 0.32157000000E-02 0.64061380000 -0.30307240000
2430 1.8821530000 -0.61160000000E-04 0.17129000000E-02 0.47074360000 -0.40738380000
2431 })
2432 (type: [am = s]
2433 {exp coef:0} = {
2434 0.91082200000 1.0000000000
2435 })
2436 (type: [am = s]
2437 {exp coef:0} = {
2438 0.46395700000 1.0000000000
2439 })
2440 (type: [am = s]
2441 {exp coef:0} = {
2442 0.21693300000 1.0000000000
2443 })
2444 (type: [am = s]
2445 {exp coef:0} = {
2446 0.98406000000E-01 1.0000000000
2447 })
2448 (type: [am = p am = p am = p]
2449 {exp coef:0 coef:1 coef:2} = {
2450 39391.530000 0.31200000000E-04 -0.12500000000E-04 0.32000000000E-05
2451 9325.2225000 0.27800000000E-03 -0.11160000000E-03 0.28800000000E-04
2452 3028.9943000 0.16138000000E-02 -0.64990000000E-03 0.16840000000E-03
2453 1159.5145000 0.72049000000E-02 -0.29159000000E-02 0.75430000000E-03
2454 492.68131000 0.26087300000E-01 -0.10700900000E-01 0.27801000000E-02
2455 225.17451000 0.77297100000E-01 -0.32495100000E-01 0.84462000000E-02
2456 108.59326000 0.18047750000 -0.79112300000E-01 0.20737600000E-01
2457 54.336079000 0.31061260000 -0.14352520000 0.37754200000E-01
2458 27.936650000 0.34542970000 -0.16582480000 0.44206200000E-01
2459 14.539626000 0.19485150000 -0.10659100000E-01 -0.21775000000E-02
2460 7.4213070000 0.40386000000E-01 0.30506620000 -0.97953000000E-01
2461 3.7303890000 0.23091000000E-02 0.48135630000 -0.16926560000
2462 1.8541270000 0.67150000000E-03 0.29427690000 -0.11174900000
2463 })
2464 (type: [am = p]
2465 {exp coef:0} = {
2466 0.84533700000 1.0000000000
2467 })
2468 (type: [am = p]
2469 {exp coef:0} = {
2470 0.39215200000 1.0000000000
2471 })
2472 (type: [am = p]
2473 {exp coef:0} = {
2474 0.17276700000 1.0000000000
2475 })
2476 (type: [am = p]
2477 {exp coef:0} = {
2478 0.72908000000E-01 1.0000000000
2479 })
2480 (type: [(am = d puream = 1)]
2481 {exp coef:0} = {
2482 1850.6354000 0.53800000000E-04
2483 557.07125000 0.54020000000E-03
2484 216.48687000 0.33012000000E-02
2485 96.138850000 0.14355100000E-01
2486 46.126380000 0.46116800000E-01
2487 23.201164000 0.11478730000
2488 12.055926000 0.21453690000
2489 6.3255450000 0.29531310000
2490 3.3049220000 0.30409380000
2491 })
2492 (type: [(am = d puream = 1)]
2493 {exp coef:0} = {
2494 1.7042530000 1.0000000000
2495 })
2496 (type: [(am = d puream = 1)]
2497 {exp coef:0} = {
2498 0.83994000000 1.0000000000
2499 })
2500 (type: [(am = d puream = 1)]
2501 {exp coef:0} = {
2502 0.35695300000 1.0000000000
2503 })
2504 (type: [(am = d puream = 1)]
2505 {exp coef:0} = {
2506 0.15200000000 1.0000000000
2507 })
2508 (type: [(am = f puream = 1)]
2509 {exp coef:0} = {
2510 0.25500000000 1.0000000000
2511 })
2512 (type: [(am = f puream = 1)]
2513 {exp coef:0} = {
2514 0.49550000000 1.0000000000
2515 })
2516 (type: [(am = f puream = 1)]
2517 {exp coef:0} = {
2518 0.96270000000 1.0000000000
2519 })
2520 (type: [(am = g puream = 1)]
2521 {exp coef:0} = {
2522 0.43900000000 1.0000000000
2523 })
2524 (type: [(am = g puream = 1)]
2525 {exp coef:0} = {
2526 0.97680000000 1.0000000000
2527 })
2528 (type: [(am = h puream = 1)]
2529 {exp coef:0} = {
2530 0.81930000000 1.0000000000
2531 })
2532 ]
2533%
2534% BASIS SET: (26s,17p,13d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
2535 krypton: "cc-pV5Z": [
2536 (type: [am = s am = s am = s am = s]
2537 {exp coef:0 coef:1 coef:2 coef:3} = {
2538 182822090.00 0.18000000000E-06 -0.57000000000E-06 0.20000000000E-07 -0.60000000000E-08
2539 27356156.000 0.14200000000E-05 -0.45000000000E-06 0.18000000000E-06 -0.57000000000E-07
2540 6221170.4000 0.74600000000E-05 -0.23500000000E-05 0.94000000000E-06 -0.30000000000E-06
2541 1760277.9000 0.31590000000E-04 -0.99400000000E-05 0.39900000000E-05 -0.12700000000E-05
2542 573193.82000 0.11575000000E-03 -0.36400000000E-04 0.14620000000E-04 -0.46580000000E-05
2543 206258.45000 0.38150000000E-03 -0.12010000000E-03 0.48190000000E-04 -0.15347000000E-04
2544 80026.669000 0.11590000000E-02 -0.36540000000E-03 0.14670000000E-03 -0.46736000000E-04
2545 32939.084000 0.32934000000E-02 -0.10407000000E-02 0.41770000000E-03 -0.13302200000E-03
2546 14222.633000 0.88161000000E-02 -0.28038000000E-02 0.11267000000E-02 -0.35906200000E-03
2547 6393.0707000 0.22218000000E-01 -0.71509000000E-02 0.28769000000E-02 -0.91650000000E-03
2548 2976.4538000 0.52088100000E-01 -0.17220400000E-01 0.69549000000E-02 -0.22184000000E-02
2549 1430.5254000 0.11063560000 -0.38480000000E-01 0.15636500000E-01 -0.49883000000E-02
2550 707.92621000 0.20253260000 -0.77862800000E-01 0.32080100000E-01 -0.10266100000E-01
2551 359.84847000 0.29263500000 -0.13474230000 0.56868900000E-01 -0.18244500000E-01
2552 187.14965000 0.28512240000 -0.17761480000 0.78484500000E-01 -0.25411000000E-01
2553 98.634523000 0.14550640000 -0.10684130000 0.50339800000E-01 -0.16393100000E-01
2554 50.547869000 0.23993900000E-01 0.18961320000 -0.10427420000 0.34697700000E-01
2555 27.167004000 -0.94900000000E-04 0.50918710000 -0.37437610000 0.13212830000
2556 14.615098000 0.55780000000E-03 0.39398590000 -0.40111310000 0.14709250000
2557 7.6513520000 -0.28700000000E-03 0.91903200000E-01 0.96838800000E-01 -0.41821600000E-01
2558 3.9972630000 0.96600000000E-04 0.39195000000E-02 0.64287760000 -0.31952400000
2559 2.0858530000 -0.78400000000E-04 0.17496000000E-02 0.48606000000 -0.43632860000
2560 })
2561 (type: [am = s]
2562 {exp coef:0} = {
2563 1.0147970000 1.0000000000
2564 })
2565 (type: [am = s]
2566 {exp coef:0} = {
2567 0.51978800000 1.0000000000
2568 })
2569 (type: [am = s]
2570 {exp coef:0} = {
2571 0.24510300000 1.0000000000
2572 })
2573 (type: [am = s]
2574 {exp coef:0} = {
2575 0.11189600000 1.0000000000
2576 })
2577 (type: [am = p am = p am = p]
2578 {exp coef:0 coef:1 coef:2} = {
2579 42993.056000 0.29700000000E-04 -0.12100000000E-04 0.33000000000E-05
2580 10173.723000 0.26510000000E-03 -0.10780000000E-03 0.29300000000E-04
2581 3303.1057000 0.15416000000E-02 -0.62900000000E-03 0.17130000000E-03
2582 1263.5400000 0.69065000000E-02 -0.28323000000E-02 0.76950000000E-03
2583 536.36546000 0.25139700000E-01 -0.10446200000E-01 0.28514000000E-02
2584 244.87617000 0.75012400000E-01 -0.31940000000E-01 0.87204000000E-02
2585 117.99117000 0.17674330000 -0.78459900000E-01 0.21618100000E-01
2586 59.021248000 0.30751350000 -0.14397190000 0.39802400000E-01
2587 30.356067000 0.34706440000 -0.16917030000 0.47477500000E-01
2588 15.819977000 0.20028020000 -0.17596600000E-01 -0.47730000000E-03
2589 8.1045800000 0.43050800000E-01 0.30026490000 -0.10218910000
2590 4.0979640000 0.24772000000E-02 0.48476610000 -0.18236110000
2591 2.0560610000 0.67890000000E-03 0.29672480000 -0.11733630000
2592 })
2593 (type: [am = p]
2594 {exp coef:0} = {
2595 0.95214500000 1.0000000000
2596 })
2597 (type: [am = p]
2598 {exp coef:0} = {
2599 0.44477400000 1.0000000000
2600 })
2601 (type: [am = p]
2602 {exp coef:0} = {
2603 0.19749600000 1.0000000000
2604 })
2605 (type: [am = p]
2606 {exp coef:0} = {
2607 0.83823000000E-01 1.0000000000
2608 })
2609 (type: [(am = d puream = 1)]
2610 {exp coef:0} = {
2611 2067.4360000 0.49600000000E-04
2612 625.69371000 0.49440000000E-03
2613 243.94679000 0.30265000000E-02
2614 108.42373000 0.13346100000E-01
2615 52.005216000 0.43786900000E-01
2616 26.115405000 0.11143880000
2617 13.546748000 0.21303410000
2618 7.1058100000 0.29792410000
2619 3.7215540000 0.30796600000
2620 })
2621 (type: [(am = d puream = 1)]
2622 {exp coef:0} = {
2623 1.9291200000 1.0000000000
2624 })
2625 (type: [(am = d puream = 1)]
2626 {exp coef:0} = {
2627 0.95582600000 1.0000000000
2628 })
2629 (type: [(am = d puream = 1)]
2630 {exp coef:0} = {
2631 0.40519700000 1.0000000000
2632 })
2633 (type: [(am = d puream = 1)]
2634 {exp coef:0} = {
2635 0.17410000000 1.0000000000
2636 })
2637 (type: [(am = f puream = 1)]
2638 {exp coef:0} = {
2639 0.31500000000 1.0000000000
2640 })
2641 (type: [(am = f puream = 1)]
2642 {exp coef:0} = {
2643 0.58700000000 1.0000000000
2644 })
2645 (type: [(am = f puream = 1)]
2646 {exp coef:0} = {
2647 1.0940000000 1.0000000000
2648 })
2649 (type: [(am = g puream = 1)]
2650 {exp coef:0} = {
2651 0.50100000000 1.0000000000
2652 })
2653 (type: [(am = g puream = 1)]
2654 {exp coef:0} = {
2655 1.1040000000 1.0000000000
2656 })
2657 (type: [(am = h puream = 1)]
2658 {exp coef:0} = {
2659 0.93030000000 1.0000000000
2660 })
2661 ]
2662)
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