source: ThirdParty/mpqc_open/lib/basis/cc-pvtz.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: 58.0 KB
Line 
1%BASIS "cc-pVTZ" 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 - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
8%Na - Mg: D.E. Woon and T.H. Dunning, Jr. (to be published)
9%Al - Ar: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
10%Ca : J. Koput and K.A. Peterson, J. Phys. Chem. A, 106, 9595 (2002).
11%
12%
13% BASIS SET: (5s,2p,1d) -> [3s,2p,1d]
14 hydrogen: "cc-pVTZ": [
15 (type: [am = s]
16 {exp coef:0} = {
17 33.870000000 0.60680000000E-02
18 5.0950000000 0.45308000000E-01
19 1.1590000000 0.20282200000
20 })
21 (type: [am = s]
22 {exp coef:0} = {
23 0.32580000000 1.0000000000
24 })
25 (type: [am = s]
26 {exp coef:0} = {
27 0.10270000000 1.0000000000
28 })
29 (type: [am = p]
30 {exp coef:0} = {
31 1.4070000000 1.0000000000
32 })
33 (type: [am = p]
34 {exp coef:0} = {
35 0.38800000000 1.0000000000
36 })
37 (type: [(am = d puream = 1)]
38 {exp coef:0} = {
39 1.0570000000 1.0000000000
40 })
41 ]
42%
43% BASIS SET: (6s,2p,1d) -> [3s,2p,1d]
44 helium: "cc-pVTZ": [
45 (type: [am = s]
46 {exp coef:0} = {
47 234.00000000 0.25870000000E-02
48 35.160000000 0.19533000000E-01
49 7.9890000000 0.90998000000E-01
50 2.2120000000 0.27205000000
51 })
52 (type: [am = s]
53 {exp coef:0} = {
54 0.66690000000 1.0000000000
55 })
56 (type: [am = s]
57 {exp coef:0} = {
58 0.20890000000 1.0000000000
59 })
60 (type: [am = p]
61 {exp coef:0} = {
62 3.0440000000 1.0000000000
63 })
64 (type: [am = p]
65 {exp coef:0} = {
66 0.75800000000 1.0000000000
67 })
68 (type: [(am = d puream = 1)]
69 {exp coef:0} = {
70 1.9650000000 1.0000000000
71 })
72 ]
73%
74% BASIS SET: (11s,5p,2d,1f) -> [4s,3p,2d,1f]
75 lithium: "cc-pVTZ": [
76 (type: [am = s am = s]
77 {exp coef:0 coef:1} = {
78 5988.0000000 0.13300000000E-03 -0.21000000000E-04
79 898.90000000 0.10250000000E-02 -0.16100000000E-03
80 205.90000000 0.52720000000E-02 -0.82000000000E-03
81 59.240000000 0.20929000000E-01 -0.33260000000E-02
82 19.870000000 0.66340000000E-01 -0.10519000000E-01
83 7.4060000000 0.16577500000 -0.28097000000E-01
84 2.9300000000 0.31503800000 -0.55936000000E-01
85 1.1890000000 0.39352300000 -0.99237000000E-01
86 0.47980000000 0.19087000000 -0.11218900000
87 })
88 (type: [am = s]
89 {exp coef:0} = {
90 0.75090000000E-01 1.0000000000
91 })
92 (type: [am = s]
93 {exp coef:0} = {
94 0.28320000000E-01 1.0000000000
95 })
96 (type: [am = p]
97 {exp coef:0} = {
98 3.2660000000 0.86300000000E-02
99 0.65110000000 0.47538000000E-01
100 0.16960000000 0.20977200000
101 })
102 (type: [am = p]
103 {exp coef:0} = {
104 0.55780000000E-01 1.0000000000
105 })
106 (type: [am = p]
107 {exp coef:0} = {
108 0.20500000000E-01 1.0000000000
109 })
110 (type: [(am = d puream = 1)]
111 {exp coef:0} = {
112 0.18740000000 1.0000000000
113 })
114 (type: [(am = d puream = 1)]
115 {exp coef:0} = {
116 0.80100000000E-01 1.0000000000
117 })
118 (type: [(am = f puream = 1)]
119 {exp coef:0} = {
120 0.18290000000 1.0000000000
121 })
122 ]
123%
124% BASIS SET: (11s,5p,2d,1f) -> [4s,3p,2d,1f]
125 beryllium: "cc-pVTZ": [
126 (type: [am = s am = s]
127 {exp coef:0 coef:1} = {
128 6863.0000000 0.23600000000E-03 -0.43000000000E-04
129 1030.0000000 0.18260000000E-02 -0.33300000000E-03
130 234.70000000 0.94520000000E-02 -0.17360000000E-02
131 66.560000000 0.37957000000E-01 -0.70120000000E-02
132 21.690000000 0.11996500000 -0.23126000000E-01
133 7.7340000000 0.28216200000 -0.58138000000E-01
134 2.9160000000 0.42740400000 -0.11455600000
135 1.1300000000 0.26627800000 -0.13590800000
136 0.11010000000 -0.72750000000E-02 0.57744100000
137 })
138 (type: [am = s]
139 {exp coef:0} = {
140 0.25770000000 1.0000000000
141 })
142 (type: [am = s]
143 {exp coef:0} = {
144 0.44090000000E-01 1.0000000000
145 })
146 (type: [am = p]
147 {exp coef:0} = {
148 7.4360000000 0.10736000000E-01
149 1.5770000000 0.62854000000E-01
150 0.43520000000 0.24818000000
151 })
152 (type: [am = p]
153 {exp coef:0} = {
154 0.14380000000 1.0000000000
155 })
156 (type: [am = p]
157 {exp coef:0} = {
158 0.49940000000E-01 1.0000000000
159 })
160 (type: [(am = d puream = 1)]
161 {exp coef:0} = {
162 0.34800000000 1.0000000000
163 })
164 (type: [(am = d puream = 1)]
165 {exp coef:0} = {
166 0.18030000000 1.0000000000
167 })
168 (type: [(am = f puream = 1)]
169 {exp coef:0} = {
170 0.32500000000 1.0000000000
171 })
172 ]
173%
174% BASIS SET: (10s,5p,2d,1f) -> [4s,3p,2d,1f]
175 boron: "cc-pVTZ": [
176 (type: [am = s am = s]
177 {exp coef:0 coef:1} = {
178 5473.0000000 0.55500000000E-03 -0.11200000000E-03
179 820.90000000 0.42910000000E-02 -0.86800000000E-03
180 186.80000000 0.21949000000E-01 -0.44840000000E-02
181 52.830000000 0.84441000000E-01 -0.17683000000E-01
182 17.080000000 0.23855700000 -0.53639000000E-01
183 5.9990000000 0.43507200000 -0.11900500000
184 2.2080000000 0.34195500000 -0.16582400000
185 0.24150000000 -0.95450000000E-02 0.59598100000
186 })
187 (type: [am = s]
188 {exp coef:0} = {
189 0.58790000000 1.0000000000
190 })
191 (type: [am = s]
192 {exp coef:0} = {
193 0.86100000000E-01 1.0000000000
194 })
195 (type: [am = p]
196 {exp coef:0} = {
197 12.050000000 0.13118000000E-01
198 2.6130000000 0.79896000000E-01
199 0.74750000000 0.27727500000
200 })
201 (type: [am = p]
202 {exp coef:0} = {
203 0.23850000000 1.0000000000
204 })
205 (type: [am = p]
206 {exp coef:0} = {
207 0.76980000000E-01 1.0000000000
208 })
209 (type: [(am = d puream = 1)]
210 {exp coef:0} = {
211 0.66100000000 1.0000000000
212 })
213 (type: [(am = d puream = 1)]
214 {exp coef:0} = {
215 0.19900000000 1.0000000000
216 })
217 (type: [(am = f puream = 1)]
218 {exp coef:0} = {
219 0.49000000000 1.0000000000
220 })
221 ]
222%
223% BASIS SET: (10s,5p,2d,1f) -> [4s,3p,2d,1f]
224 carbon: "cc-pVTZ": [
225 (type: [am = s am = s]
226 {exp coef:0 coef:1} = {
227 8236.0000000 0.53100000000E-03 -0.11300000000E-03
228 1235.0000000 0.41080000000E-02 -0.87800000000E-03
229 280.80000000 0.21087000000E-01 -0.45400000000E-02
230 79.270000000 0.81853000000E-01 -0.18133000000E-01
231 25.590000000 0.23481700000 -0.55760000000E-01
232 8.9970000000 0.43440100000 -0.12689500000
233 3.3190000000 0.34612900000 -0.17035200000
234 0.36430000000 -0.89830000000E-02 0.59868400000
235 })
236 (type: [am = s]
237 {exp coef:0} = {
238 0.90590000000 1.0000000000
239 })
240 (type: [am = s]
241 {exp coef:0} = {
242 0.12850000000 1.0000000000
243 })
244 (type: [am = p]
245 {exp coef:0} = {
246 18.710000000 0.14031000000E-01
247 4.1330000000 0.86866000000E-01
248 1.2000000000 0.29021600000
249 })
250 (type: [am = p]
251 {exp coef:0} = {
252 0.38270000000 1.0000000000
253 })
254 (type: [am = p]
255 {exp coef:0} = {
256 0.12090000000 1.0000000000
257 })
258 (type: [(am = d puream = 1)]
259 {exp coef:0} = {
260 1.0970000000 1.0000000000
261 })
262 (type: [(am = d puream = 1)]
263 {exp coef:0} = {
264 0.31800000000 1.0000000000
265 })
266 (type: [(am = f puream = 1)]
267 {exp coef:0} = {
268 0.76100000000 1.0000000000
269 })
270 ]
271%
272% BASIS SET: (10s,5p,2d,1f) -> [4s,3p,2d,1f]
273 nitrogen: "cc-pVTZ": [
274 (type: [am = s am = s]
275 {exp coef:0 coef:1} = {
276 11420.000000 0.52300000000E-03 -0.11500000000E-03
277 1712.0000000 0.40450000000E-02 -0.89500000000E-03
278 389.30000000 0.20775000000E-01 -0.46240000000E-02
279 110.00000000 0.80727000000E-01 -0.18528000000E-01
280 35.570000000 0.23307400000 -0.57339000000E-01
281 12.540000000 0.43350100000 -0.13207600000
282 4.6440000000 0.34747200000 -0.17251000000
283 0.51180000000 -0.85080000000E-02 0.59994400000
284 })
285 (type: [am = s]
286 {exp coef:0} = {
287 1.2930000000 1.0000000000
288 })
289 (type: [am = s]
290 {exp coef:0} = {
291 0.17870000000 1.0000000000
292 })
293 (type: [am = p]
294 {exp coef:0} = {
295 26.630000000 0.14670000000E-01
296 5.9480000000 0.91764000000E-01
297 1.7420000000 0.29868300000
298 })
299 (type: [am = p]
300 {exp coef:0} = {
301 0.55500000000 1.0000000000
302 })
303 (type: [am = p]
304 {exp coef:0} = {
305 0.17250000000 1.0000000000
306 })
307 (type: [(am = d puream = 1)]
308 {exp coef:0} = {
309 1.6540000000 1.0000000000
310 })
311 (type: [(am = d puream = 1)]
312 {exp coef:0} = {
313 0.46900000000 1.0000000000
314 })
315 (type: [(am = f puream = 1)]
316 {exp coef:0} = {
317 1.0930000000 1.0000000000
318 })
319 ]
320%
321% BASIS SET: (10s,5p,2d,1f) -> [4s,3p,2d,1f]
322 oxygen: "cc-pVTZ": [
323 (type: [am = s am = s]
324 {exp coef:0 coef:1} = {
325 15330.000000 0.50800000000E-03 -0.11500000000E-03
326 2299.0000000 0.39290000000E-02 -0.89500000000E-03
327 522.40000000 0.20243000000E-01 -0.46360000000E-02
328 147.30000000 0.79181000000E-01 -0.18724000000E-01
329 47.550000000 0.23068700000 -0.58463000000E-01
330 16.760000000 0.43311800000 -0.13646300000
331 6.2070000000 0.35026000000 -0.17574000000
332 0.68820000000 -0.81540000000E-02 0.60341800000
333 })
334 (type: [am = s]
335 {exp coef:0} = {
336 1.7520000000 1.0000000000
337 })
338 (type: [am = s]
339 {exp coef:0} = {
340 0.23840000000 1.0000000000
341 })
342 (type: [am = p]
343 {exp coef:0} = {
344 34.460000000 0.15928000000E-01
345 7.7490000000 0.99740000000E-01
346 2.2800000000 0.31049200000
347 })
348 (type: [am = p]
349 {exp coef:0} = {
350 0.71560000000 1.0000000000
351 })
352 (type: [am = p]
353 {exp coef:0} = {
354 0.21400000000 1.0000000000
355 })
356 (type: [(am = d puream = 1)]
357 {exp coef:0} = {
358 2.3140000000 1.0000000000
359 })
360 (type: [(am = d puream = 1)]
361 {exp coef:0} = {
362 0.64500000000 1.0000000000
363 })
364 (type: [(am = f puream = 1)]
365 {exp coef:0} = {
366 1.4280000000 1.0000000000
367 })
368 ]
369%
370% BASIS SET: (10s,5p,2d,1f) -> [4s,3p,2d,1f]
371 fluorine: "cc-pVTZ": [
372 (type: [am = s am = s]
373 {exp coef:0 coef:1} = {
374 19500.000000 0.50700000000E-03 -0.11700000000E-03
375 2923.0000000 0.39230000000E-02 -0.91200000000E-03
376 664.50000000 0.20200000000E-01 -0.47170000000E-02
377 187.50000000 0.79010000000E-01 -0.19086000000E-01
378 60.620000000 0.23043900000 -0.59655000000E-01
379 21.420000000 0.43287200000 -0.14001000000
380 7.9500000000 0.34996400000 -0.17678200000
381 0.88150000000 -0.78920000000E-02 0.60504300000
382 })
383 (type: [am = s]
384 {exp coef:0} = {
385 2.2570000000 1.0000000000
386 })
387 (type: [am = s]
388 {exp coef:0} = {
389 0.30410000000 1.0000000000
390 })
391 (type: [am = p]
392 {exp coef:0} = {
393 43.880000000 0.16665000000E-01
394 9.9260000000 0.10447200000
395 2.9300000000 0.31726000000
396 })
397 (type: [am = p]
398 {exp coef:0} = {
399 0.91320000000 1.0000000000
400 })
401 (type: [am = p]
402 {exp coef:0} = {
403 0.26720000000 1.0000000000
404 })
405 (type: [(am = d puream = 1)]
406 {exp coef:0} = {
407 3.1070000000 1.0000000000
408 })
409 (type: [(am = d puream = 1)]
410 {exp coef:0} = {
411 0.85500000000 1.0000000000
412 })
413 (type: [(am = f puream = 1)]
414 {exp coef:0} = {
415 1.9170000000 1.0000000000
416 })
417 ]
418%
419% BASIS SET: (10s,5p,2d,1f) -> [4s,3p,2d,1f]
420 neon: "cc-pVTZ": [
421 (type: [am = s am = s]
422 {exp coef:0 coef:1} = {
423 24350.000000 0.50200000000E-03 -0.11800000000E-03
424 3650.0000000 0.38810000000E-02 -0.91500000000E-03
425 829.60000000 0.19997000000E-01 -0.47370000000E-02
426 234.00000000 0.78418000000E-01 -0.19233000000E-01
427 75.610000000 0.22967600000 -0.60369000000E-01
428 26.730000000 0.43272200000 -0.14250800000
429 9.9270000000 0.35064200000 -0.17771000000
430 1.1020000000 -0.76450000000E-02 0.60583600000
431 })
432 (type: [am = s]
433 {exp coef:0} = {
434 2.8360000000 1.0000000000
435 })
436 (type: [am = s]
437 {exp coef:0} = {
438 0.37820000000 1.0000000000
439 })
440 (type: [am = p]
441 {exp coef:0} = {
442 54.700000000 0.17151000000E-01
443 12.430000000 0.10765600000
444 3.6790000000 0.32168100000
445 })
446 (type: [am = p]
447 {exp coef:0} = {
448 1.1430000000 1.0000000000
449 })
450 (type: [am = p]
451 {exp coef:0} = {
452 0.33000000000 1.0000000000
453 })
454 (type: [(am = d puream = 1)]
455 {exp coef:0} = {
456 4.0140000000 1.0000000000
457 })
458 (type: [(am = d puream = 1)]
459 {exp coef:0} = {
460 1.0960000000 1.0000000000
461 })
462 (type: [(am = f puream = 1)]
463 {exp coef:0} = {
464 2.5440000000 1.0000000000
465 })
466 ]
467%
468% BASIS SET: (16s,10p,2d,1f) -> [5s,4p,2d,1f]
469 sodium: "cc-pVTZ": [
470 (type: [am = s am = s am = s]
471 {exp coef:0 coef:1 coef:2} = {
472 423000.00000 0.18061800000E-04 -0.44065300000E-05 0.66301900000E-06
473 63340.000000 0.14043000000E-03 -0.34344300000E-04 0.51576900000E-05
474 14410.000000 0.73843800000E-03 -0.18011400000E-03 0.27125000000E-04
475 4077.0000000 0.31118200000E-02 -0.76390000000E-03 0.11463500000E-03
476 1328.0000000 0.11208100000E-01 -0.27524800000E-02 0.41511800000E-03
477 478.60000000 0.35282800000E-01 -0.88601600000E-02 0.13297800000E-02
478 186.20000000 0.95989700000E-01 -0.24793900000E-01 0.37559500000E-02
479 76.920000000 0.21373500000 -0.60599500000E-01 0.91402500000E-02
480 33.320000000 0.34868800000 -0.11644600000 0.17985900000E-01
481 15.000000000 0.32456600000 -0.16243700000 0.25147700000E-01
482 6.8690000000 0.11263300000 -0.43889100000E-01 0.76352200000E-02
483 2.6830000000 0.70679700000E-02 0.33791700000 -0.61458900000E-01
484 1.1090000000 0.59801000000E-03 0.56134700000 -0.11572100000
485 0.60150000000E-01 -0.53087000000E-05 0.40675400000E-02 0.62640600000
486 })
487 (type: [am = s]
488 {exp coef:0} = {
489 0.45400000000 1.0000000000
490 })
491 (type: [am = s]
492 {exp coef:0} = {
493 0.23820000000E-01 1.0000000000
494 })
495 (type: [am = p am = p]
496 {exp coef:0 coef:1} = {
497 243.30000000 0.22439200000E-02 -0.22240100000E-03
498 57.390000000 0.17399700000E-01 -0.17427700000E-02
499 18.100000000 0.77412500000E-01 -0.77545600000E-02
500 6.5750000000 0.21910200000 -0.22518700000E-01
501 2.5210000000 0.37852200000 -0.38433000000E-01
502 0.96070000000 0.39490200000 -0.45017700000E-01
503 0.35120000000 0.16042400000 -0.19213200000E-01
504 0.98270000000E-01 0.23331100000E-02 0.18269700000
505 })
506 (type: [am = p]
507 {exp coef:0} = {
508 0.37340000000E-01 1.0000000000
509 })
510 (type: [am = p]
511 {exp coef:0} = {
512 0.15000000000E-01 1.0000000000
513 })
514 (type: [(am = d puream = 1)]
515 {exp coef:0} = {
516 0.13670000000 1.0000000000
517 })
518 (type: [(am = d puream = 1)]
519 {exp coef:0} = {
520 0.63600000000E-01 1.0000000000
521 })
522 (type: [(am = f puream = 1)]
523 {exp coef:0} = {
524 0.13970000000 1.0000000000
525 })
526 ]
527%
528% BASIS SET: (15s,10p,2d,1f) -> [5s,4p,2d,1f]
529 magnesium: "cc-pVTZ": [
530 (type: [am = s am = s am = s]
531 {exp coef:0 coef:1 coef:2} = {
532 164900.00000 0.72992900000E-04 -0.18424800000E-04 0.35517600000E-05
533 24710.000000 0.56665200000E-03 -0.14350000000E-03 0.27642000000E-04
534 5628.0000000 0.29626900000E-02 -0.74871000000E-03 0.14440400000E-03
535 1596.0000000 0.12296200000E-01 -0.31440700000E-02 0.60574400000E-03
536 521.00000000 0.42732400000E-01 -0.11048100000E-01 0.21352700000E-02
537 188.00000000 0.12301300000 -0.33605800000E-01 0.64993400000E-02
538 73.010000000 0.27483200000 -0.82594600000E-01 0.16144600000E-01
539 29.900000000 0.40181800000 -0.15931400000 0.31576600000E-01
540 12.540000000 0.26469700000 -0.15288800000 0.31637400000E-01
541 4.3060000000 0.33261200000E-01 0.19084900000 -0.43914000000E-01
542 1.8260000000 -0.44133500000E-02 0.57996400000 -0.15109300000
543 0.74170000000 0.20602400000E-02 0.37202900000 -0.21766800000
544 0.76120000000E-01 0.70819500000E-03 -0.11934400000E-01 0.54724500000
545 })
546 (type: [am = s]
547 {exp coef:0} = {
548 0.14570000000 1.0000000000
549 })
550 (type: [am = s]
551 {exp coef:0} = {
552 0.33100000000E-01 1.0000000000
553 })
554 (type: [am = p am = p]
555 {exp coef:0 coef:1} = {
556 316.90000000 0.20753200000E-02 -0.32972700000E-03
557 74.860000000 0.16286900000E-01 -0.25875400000E-02
558 23.720000000 0.73869700000E-01 -0.11912000000E-01
559 8.6690000000 0.21429700000 -0.35022700000E-01
560 3.3630000000 0.38215400000 -0.63996800000E-01
561 1.3100000000 0.39817800000 -0.70443600000E-01
562 0.49110000000 0.15287800000 -0.37583600000E-01
563 0.23640000000 -0.43754000000E-02 0.17704300000
564 })
565 (type: [am = p]
566 {exp coef:0} = {
567 0.87330000000E-01 1.0000000000
568 })
569 (type: [am = p]
570 {exp coef:0} = {
571 0.32370000000E-01 1.0000000000
572 })
573 (type: [(am = d puream = 1)]
574 {exp coef:0} = {
575 0.12600000000 1.0000000000
576 })
577 (type: [(am = d puream = 1)]
578 {exp coef:0} = {
579 0.29400000000 1.0000000000
580 })
581 (type: [(am = f puream = 1)]
582 {exp coef:0} = {
583 0.25200000000 1.0000000000
584 })
585 ]
586%
587% BASIS SET: (15s,9p,2d,1f) -> [5s,4p,2d,1f]
588 aluminum: "cc-pVTZ": [
589 (type: [am = s am = s am = s]
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597 91.620000000 0.26088700000 -0.80315600000E-01 0.18825300000E-01
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609 (type: [am = s]
610 {exp coef:0} = {
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613 (type: [am = p am = p]
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626 })
627 (type: [am = p]
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635 (type: [(am = d puream = 1)]
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637 0.33300000000 1.0000000000
638 })
639 (type: [(am = f puream = 1)]
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643 ]
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646 silicon: "cc-pVTZ": [
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667 (type: [am = s]
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671 (type: [am = p am = p]
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681 (type: [am = p]
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685 (type: [am = p]
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689 (type: [(am = d puream = 1)]
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691 0.15900000000 1.0000000000
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693 (type: [(am = d puream = 1)]
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697 (type: [(am = f puream = 1)]
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699 0.33600000000 1.0000000000
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704 phosphorus: "cc-pVTZ": [
705 (type: [am = s am = s am = s]
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726 {exp coef:0} = {
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729 (type: [am = p am = p]
730 {exp coef:0 coef:1} = {
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751 (type: [(am = d puream = 1)]
752 {exp coef:0} = {
753 0.65200000000 1.0000000000
754 })
755 (type: [(am = f puream = 1)]
756 {exp coef:0} = {
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758 })
759 ]
760%
761% BASIS SET: (15s,9p,2d,1f) -> [5s,4p,2d,1f]
762 sulfur: "cc-pVTZ": [
763 (type: [am = s am = s am = s]
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766 56050.000000 0.42085500000E-03 -0.11619800000E-03 0.33714000000E-04
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772 69.470000000 0.37439300000 -0.14643900000 0.43832300000E-01
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774 12.720000000 0.84703800000E-01 0.81919300000E-02 -0.36151000000E-02
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779 (type: [am = s]
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782 })
783 (type: [am = s]
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787 (type: [am = p am = p]
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799 0.86880000000 1.0000000000
800 })
801 (type: [am = p]
802 {exp coef:0} = {
803 0.10980000000 1.0000000000
804 })
805 (type: [(am = d puream = 1)]
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809 (type: [(am = d puream = 1)]
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811 0.81900000000 1.0000000000
812 })
813 (type: [(am = f puream = 1)]
814 {exp coef:0} = {
815 0.55700000000 1.0000000000
816 })
817 ]
818%
819% BASIS SET: (15s,9p,2d,1f) -> [5s,4p,2d,1f]
820 chlorine: "cc-pVTZ": [
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822 {exp coef:0 coef:1 coef:2} = {
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841 (type: [am = s]
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843 0.16250000000 1.0000000000
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845 (type: [am = p am = p]
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853 0.38180000000 -0.45842300000E-02 0.56466700000
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855 (type: [am = p]
856 {exp coef:0} = {
857 1.0220000000 1.0000000000
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859 (type: [am = p]
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863 (type: [(am = d puream = 1)]
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867 (type: [(am = d puream = 1)]
868 {exp coef:0} = {
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870 })
871 (type: [(am = f puream = 1)]
872 {exp coef:0} = {
873 0.70600000000 1.0000000000
874 })
875 ]
876%
877% BASIS SET: (15s,9p,2d,1f) -> [5s,4p,2d,1f]
878 argon: "cc-pVTZ": [
879 (type: [am = s am = s am = s]
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883 18580.000000 0.18579700000E-02 -0.52958300000E-03 0.16564600000E-03
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903 (type: [am = p am = p]
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908 21.240000000 0.25637700000 -0.75719700000E-01
909 8.3880000000 0.43871100000 -0.14113300000
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925 (type: [(am = d puream = 1)]
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929 (type: [(am = f puream = 1)]
930 {exp coef:0} = {
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933 ]
934%
935% BASIS SET: (20s,14p,6d,1f) -> [6s,5p,3d,1f]
936 calcium: "cc-pVTZ": [
937 (type: [am = s am = s am = s am = s]
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951 8.3599900000 -0.18220000000E-02 0.51087962000 -0.26747467000 0.67406260000E-01
952 3.9513300000 0.21116400000E-02 0.49463804000 -0.42697256000 0.11447396000
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958 (type: [am = s]
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985 (type: [am = p]
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989 (type: [(am = d puream = 1)]
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996 (type: [(am = d puream = 1)]
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1000 (type: [(am = d puream = 1)]
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1004 (type: [(am = f puream = 1)]
1005 {exp coef:0} = {
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1007 })
1008 ]
1009%
1010% BASIS SET: (20s,13p,9d,1f) -> [6s,5p,3d,1f]
1011 gallium: "cc-pVTZ": [
1012 (type: [am = s am = s am = s am = s]
1013 {exp coef:0 coef:1 coef:2 coef:3} = {
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1016 223467.69000 0.32700000000E-03 -0.10140000000E-03 0.38700000000E-04 0.90000000000E-05
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1020 2905.0744000 0.46012400000E-01 -0.14805600000E-01 0.56689000000E-02 0.13188000000E-02
1021 1204.2100000 0.11522240000 -0.38948200000E-01 0.15028200000E-01 0.35016000000E-02
1022 524.30454000 0.23739210000 -0.89683200000E-01 0.35022200000E-01 0.81673000000E-02
1023 237.46563000 0.35319890000 -0.16640760000 0.67113500000E-01 0.15733800000E-01
1024 110.57866000 0.29155000000 -0.20040100000 0.85015600000E-01 0.20028400000E-01
1025 51.374624000 0.81212900000E-01 0.11494300000E-01 -0.47212000000E-02 -0.10136000000E-02
1026 24.440846000 0.76550000000E-03 0.49581340000 -0.30167370000 -0.75016200000E-01
1027 11.768591000 0.16124000000E-02 0.52955500000 -0.48254890000 -0.12579800000
1028 5.3421190000 -0.75300000000E-03 0.11101850000 0.89169500000E-01 0.30085700000E-01
1029 2.4950360000 0.31340000000E-03 -0.70000000000E-03 0.72878300000 0.24881690000
1030 1.0987730000 -0.13060000000E-03 0.22283000000E-02 0.42885420000 0.28437060000
1031 0.26018000000 0.51300000000E-04 -0.50140000000E-03 0.20724900000E-01 -0.31105940000
1032 })
1033 (type: [am = s]
1034 {exp coef:0} = {
1035 0.12707900000 1.0000000000
1036 })
1037 (type: [am = s]
1038 {exp coef:0} = {
1039 0.54408000000E-01 1.0000000000
1040 })
1041 (type: [am = p am = p am = p]
1042 {exp coef:0 coef:1 coef:2} = {
1043 8050.1674000 0.31690000000E-03 -0.12030000000E-03 0.20000000000E-04
1044 1907.5361000 0.27648000000E-02 -0.10492000000E-02 0.16890000000E-03
1045 618.62746000 0.15120400000E-01 -0.58102000000E-02 0.96680000000E-03
1046 235.32417000 0.59958300000E-01 -0.23434500000E-01 0.37797000000E-02
1047 98.899646000 0.17331200000 -0.70827000000E-01 0.11908200000E-01
1048 44.248215000 0.34108200000 -0.14655110000 0.23569300000E-01
1049 20.617429000 0.38969670000 -0.17696600000 0.31423300000E-01
1050 9.7805160000 0.18398170000 0.36382100000E-01 -0.13618800000E-01
1051 4.4412380000 0.21889600000E-01 0.42328480000 -0.73400300000E-01
1052 1.9640450000 0.11608000000E-02 0.49525860000 -0.12647850000
1053 0.83357800000 0.27350000000E-03 0.17974280000 0.15857900000E-01
1054 })
1055 (type: [am = p]
1056 {exp coef:0} = {
1057 0.19344500000 1.0000000000
1058 })
1059 (type: [am = p]
1060 {exp coef:0} = {
1061 0.56117000000E-01 1.0000000000
1062 })
1063 (type: [(am = d puream = 1)]
1064 {exp coef:0} = {
1065 244.14741000 0.20270000000E-02
1066 73.067595000 0.16508800000E-01
1067 27.592081000 0.70382300000E-01
1068 11.546518000 0.19114300000
1069 5.0486280000 0.32540920000
1070 2.1784650000 0.36781990000
1071 0.90025300000 0.27446850000
1072 })
1073 (type: [(am = d puream = 1)]
1074 {exp coef:0} = {
1075 0.33732700000 1.0000000000
1076 })
1077 (type: [(am = d puream = 1)]
1078 {exp coef:0} = {
1079 0.11690000000 1.0000000000
1080 })
1081 (type: [(am = f puream = 1)]
1082 {exp coef:0} = {
1083 0.28810000000 1.0000000000
1084 })
1085 ]
1086%
1087% BASIS SET: (20s,13p,9d,1f) -> [6s,5p,3d,1f]
1088 germanium: "cc-pVTZ": [
1089 (type: [am = s am = s am = s am = s]
1090 {exp coef:0 coef:1 coef:2 coef:3} = {
1091 7447966.8000 0.74000000000E-05 -0.23000000000E-05 0.90000000000E-06 -0.20000000000E-06
1092 1115318.2000 0.57400000000E-04 -0.17900000000E-04 0.69000000000E-05 -0.18000000000E-05
1093 253842.65000 0.30190000000E-03 -0.94000000000E-04 0.36200000000E-04 -0.93000000000E-05
1094 71915.285000 0.12733000000E-02 -0.39640000000E-03 0.15280000000E-03 -0.39200000000E-04
1095 23470.181000 0.46123000000E-02 -0.14425000000E-02 0.55630000000E-03 -0.14260000000E-03
1096 8477.4918000 0.14821400000E-01 -0.46675000000E-02 0.18018000000E-02 -0.46210000000E-03
1097 3308.3908000 0.42553600000E-01 -0.13715300000E-01 0.53085000000E-02 -0.13614000000E-02
1098 1372.6054000 0.10730550000 -0.36179700000E-01 0.14087700000E-01 -0.36175000000E-02
1099 598.22007000 0.22451780000 -0.84167900000E-01 0.33201300000E-01 -0.85359000000E-02
1100 271.38602000 0.34531310000 -0.15887670000 0.64462100000E-01 -0.16650600000E-01
1101 126.97795000 0.30452610000 -0.20338070000 0.86954000000E-01 -0.22591100000E-01
1102 60.222065000 0.99067000000E-01 -0.25141000000E-01 0.11874500000E-01 -0.32147000000E-02
1103 28.018582000 0.41317000000E-02 0.45751520000 -0.27245340000 0.74499800000E-01
1104 13.517522000 0.10347000000E-02 0.55719390000 -0.50014520000 0.14403330000
1105 6.3094060000 -0.48560000000E-03 0.13970550000 0.10855400000E-01 -0.80815000000E-02
1106 2.9045340000 0.18050000000E-03 0.22645000000E-02 0.72164690000 -0.27041630000
1107 1.2875560000 -0.91200000000E-04 0.20927000000E-02 0.48052130000 -0.34016070000
1108 0.16773200000 -0.26600000000E-04 0.32810000000E-03 -0.10229700000E-01 0.61906570000
1109 })
1110 (type: [am = s]
1111 {exp coef:0} = {
1112 0.33655200000 1.0000000000
1113 })
1114 (type: [am = s]
1115 {exp coef:0} = {
1116 0.71069000000E-01 1.0000000000
1117 })
1118 (type: [am = p am = p am = p]
1119 {exp coef:0 coef:1 coef:2} = {
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1121 1654.1648000 0.39562000000E-02 -0.15305000000E-02 0.30140000000E-03
1122 536.02865000 0.21314300000E-01 -0.83145000000E-02 0.16487000000E-02
1123 203.53713000 0.81871500000E-01 -0.32871800000E-01 0.64982000000E-02
1124 85.237530000 0.22237320000 -0.93166100000E-01 0.18638300000E-01
1125 37.841962000 0.39056590000 -0.17555420000 0.35061300000E-01
1126 17.406512000 0.35604150000 -0.14679120000 0.29589200000E-01
1127 7.8814920000 0.10703120000 0.18629340000 -0.47245800000E-01
1128 3.5332130000 0.36941000000E-02 0.52648620000 -0.12498470000
1129 1.5214730000 0.19219000000E-02 0.39708590000 -0.12108010000
1130 0.19909300000 0.19170000000E-03 -0.33478000000E-02 0.57547300000
1131 })
1132 (type: [am = p]
1133 {exp coef:0} = {
1134 0.56270400000 1.0000000000
1135 })
1136 (type: [am = p]
1137 {exp coef:0} = {
1138 0.67031000000E-01 1.0000000000
1139 })
1140 (type: [(am = d puream = 1)]
1141 {exp coef:0} = {
1142 282.23911000 0.18275000000E-02
1143 84.549957000 0.15154500000E-01
1144 32.073656000 0.66046000000E-01
1145 13.497495000 0.18394700000
1146 5.9585500000 0.32278720000
1147 2.6107880000 0.37294590000
1148 1.1039870000 0.27517300000
1149 })
1150 (type: [(am = d puream = 1)]
1151 {exp coef:0} = {
1152 0.42404900000 1.0000000000
1153 })
1154 (type: [(am = d puream = 1)]
1155 {exp coef:0} = {
1156 0.15200000000 1.0000000000
1157 })
1158 (type: [(am = f puream = 1)]
1159 {exp coef:0} = {
1160 0.34580000000 1.0000000000
1161 })
1162 ]
1163%
1164% BASIS SET: (20s,13p,9d,1f) -> [6s,5p,3d,1f]
1165 arsenic: "cc-pVTZ": [
1166 (type: [am = s am = s am = s am = s]
1167 {exp coef:0 coef:1 coef:2 coef:3} = {
1168 8482339.6000 0.68000000000E-05 -0.21000000000E-05 0.80000000000E-06 -0.20000000000E-06
1169 1270150.9000 0.52800000000E-04 -0.16500000000E-04 0.64000000000E-05 -0.18000000000E-05
1170 289056.96000 0.27740000000E-03 -0.86600000000E-04 0.33700000000E-04 -0.93000000000E-05
1171 81879.849000 0.11702000000E-02 -0.36530000000E-03 0.14230000000E-03 -0.39200000000E-04
1172 26716.564000 0.42421000000E-02 -0.13309000000E-02 0.51880000000E-03 -0.14290000000E-03
1173 9647.5842000 0.13655700000E-01 -0.43093000000E-02 0.16802000000E-02 -0.46290000000E-03
1174 3764.1195000 0.39339900000E-01 -0.12697300000E-01 0.49677000000E-02 -0.13687000000E-02
1175 1561.5656000 0.99929200000E-01 -0.33616000000E-01 0.13211500000E-01 -0.36440000000E-02
1176 680.81467000 0.21215550000 -0.78947000000E-01 0.31456600000E-01 -0.86884000000E-02
1177 309.24119000 0.33638660000 -0.15144580000 0.61844600000E-01 -0.17155600000E-01
1178 145.25736000 0.31551250000 -0.20420140000 0.87956600000E-01 -0.24551400000E-01
1179 69.739048000 0.11813120000 -0.55736700000E-01 0.25754800000E-01 -0.73524000000E-02
1180 31.770325000 0.80076000000E-02 0.41876070000 -0.24554590000 0.72008700000E-01
1181 15.391757000 0.32930000000E-03 0.57587620000 -0.50905720000 0.15762540000
1182 7.3415260000 -0.15230000000E-03 0.16968420000 -0.55574900000E-01 0.14207400000E-01
1183 3.3237160000 0.24700000000E-04 0.60662000000E-02 0.70837960000 -0.28515930000
1184 1.4858670000 -0.36600000000E-04 0.17605000000E-02 0.52310270000 -0.38853470000
1185 0.21150000000 -0.94000000000E-05 0.23160000000E-03 -0.11117600000E-01 0.64953370000
1186 })
1187 (type: [am = s]
1188 {exp coef:0} = {
1189 0.42108600000 1.0000000000
1190 })
1191 (type: [am = s]
1192 {exp coef:0} = {
1193 0.88974000000E-01 1.0000000000
1194 })
1195 (type: [am = p am = p am = p]
1196 {exp coef:0 coef:1 coef:2} = {
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1198 1759.5166000 0.39823000000E-02 -0.15641000000E-02 0.34880000000E-03
1199 570.22916000 0.21463800000E-01 -0.84999000000E-02 0.18953000000E-02
1200 216.57997000 0.82461700000E-01 -0.33632700000E-01 0.75325000000E-02
1201 90.734252000 0.22389020000 -0.95322800000E-01 0.21431500000E-01
1202 40.308791000 0.39207040000 -0.17936260000 0.40780700000E-01
1203 18.555502000 0.35422380000 -0.14666820000 0.32524900000E-01
1204 8.3965430000 0.10486410000 0.19660160000 -0.54883200000E-01
1205 3.7673670000 0.33664000000E-02 0.53720880000 -0.15119220000
1206 1.6297010000 0.18495000000E-02 0.38573610000 -0.12490110000
1207 0.22250300000 0.22970000000E-03 -0.54006000000E-02 0.58552930000
1208 })
1209 (type: [am = p]
1210 {exp coef:0} = {
1211 0.56826300000 1.0000000000
1212 })
1213 (type: [am = p]
1214 {exp coef:0} = {
1215 0.80405000000E-01 1.0000000000
1216 })
1217 (type: [(am = d puream = 1)]
1218 {exp coef:0} = {
1219 321.01961000 0.16840000000E-02
1220 96.249305000 0.14158600000E-01
1221 36.644963000 0.62825900000E-01
1222 15.493965000 0.17849930000
1223 6.8911380000 0.32094520000
1224 3.0548310000 0.37735150000
1225 1.3142410000 0.27502310000
1226 })
1227 (type: [(am = d puream = 1)]
1228 {exp coef:0} = {
1229 0.51343000000 1.0000000000
1230 })
1231 (type: [(am = d puream = 1)]
1232 {exp coef:0} = {
1233 0.18770000000 1.0000000000
1234 })
1235 (type: [(am = f puream = 1)]
1236 {exp coef:0} = {
1237 0.41580000000 1.0000000000
1238 })
1239 ]
1240%
1241% BASIS SET: (20s,13p,9d,1f) -> [6s,5p,3d,1f]
1242 selenium: "cc-pVTZ": [
1243 (type: [am = s am = s am = s am = s]
1244 {exp coef:0 coef:1 coef:2 coef:3} = {
1245 9563600.0000 0.63000000000E-05 -0.20000000000E-05 0.80000000000E-06 -0.20000000000E-06
1246 1432100.0000 0.48900000000E-04 -0.15300000000E-04 0.60000000000E-05 -0.18000000000E-05
1247 325910.00000 0.25740000000E-03 -0.80600000000E-04 0.31700000000E-04 -0.93000000000E-05
1248 92312.000000 0.10861000000E-02 -0.34000000000E-03 0.13370000000E-03 -0.39100000000E-04
1249 30116.000000 0.39399000000E-02 -0.12397000000E-02 0.48830000000E-03 -0.14280000000E-03
1250 10872.000000 0.12704100000E-01 -0.40177000000E-02 0.15821000000E-02 -0.46270000000E-03
1251 4240.1000000 0.36715600000E-01 -0.11867200000E-01 0.46919000000E-02 -0.13722000000E-02
1252 1758.4000000 0.93867200000E-01 -0.31534000000E-01 0.12509800000E-01 -0.36628000000E-02
1253 766.59000000 0.20176770000 -0.74643900000E-01 0.30038100000E-01 -0.88061000000E-02
1254 348.43000000 0.32805400000 -0.14521790000 0.59727100000E-01 -0.17586700000E-01
1255 164.03000000 0.32383340000 -0.20384410000 0.88469600000E-01 -0.26207400000E-01
1256 79.142000000 0.13523370000 -0.78871100000E-01 0.36392000000E-01 -0.10996400000E-01
1257 35.524000000 0.11707500000E-01 0.38458250000 -0.22353290000 0.69569700000E-01
1258 17.305000000 -0.34360000000E-03 0.58652700000 -0.51224620000 0.16839470000
1259 8.3784000000 0.16650000000E-03 0.19735910000 -0.10842240000 0.34616000000E-01
1260 3.7405000000 -0.11880000000E-03 0.10010200000E-01 0.69363720000 -0.29787020000
1261 1.6890000000 0.20400000000E-04 0.13160000000E-02 0.55587110000 -0.43225690000
1262 0.25520000000 0.83000000000E-05 0.11090000000E-03 -0.11383200000E-01 0.67572170000
1263 })
1264 (type: [am = s]
1265 {exp coef:0} = {
1266 0.50927000000 1.0000000000
1267 })
1268 (type: [am = s]
1269 {exp coef:0} = {
1270 0.10651000000 1.0000000000
1271 })
1272 (type: [am = p am = p am = p]
1273 {exp coef:0 coef:1 coef:2} = {
1274 8004.3000000 0.45050000000E-03 -0.17830000000E-03 0.43000000000E-04
1275 1896.9000000 0.39049000000E-02 -0.15554000000E-02 0.37700000000E-03
1276 614.71000000 0.21090100000E-01 -0.84727000000E-02 0.20465000000E-02
1277 233.50000000 0.81292000000E-01 -0.33624500000E-01 0.81899000000E-02
1278 97.856000000 0.22178410000 -0.95826700000E-01 0.23335600000E-01
1279 43.514000000 0.39072700000 -0.18139070000 0.44981300000E-01
1280 20.063000000 0.35597140000 -0.15031520000 0.35747500000E-01
1281 9.1127000000 0.10732720000 0.19482630000 -0.58686600000E-01
1282 4.1063000000 0.36985000000E-02 0.54155540000 -0.17095730000
1283 1.7949000000 0.18032000000E-02 0.38372990000 -0.12935830000
1284 0.24615000000 0.22080000000E-03 -0.50132000000E-02 0.57780690000
1285 })
1286 (type: [am = p]
1287 {exp coef:0} = {
1288 0.62432000000 1.0000000000
1289 })
1290 (type: [am = p]
1291 {exp coef:0} = {
1292 0.88917000000E-01 1.0000000000
1293 })
1294 (type: [(am = d puream = 1)]
1295 {exp coef:0} = {
1296 361.85000000 0.15655000000E-02
1297 108.55000000 0.13326200000E-01
1298 41.433000000 0.60152700000E-01
1299 17.579000000 0.17402930000
1300 7.8627000000 0.31956900000
1301 3.5180000000 0.38120290000
1302 1.5348000000 0.27460860000
1303 })
1304 (type: [(am = d puream = 1)]
1305 {exp coef:0} = {
1306 0.60813000000 1.0000000000
1307 })
1308 (type: [(am = d puream = 1)]
1309 {exp coef:0} = {
1310 0.22200000000 1.0000000000
1311 })
1312 (type: [(am = f puream = 1)]
1313 {exp coef:0} = {
1314 0.46200000000 1.0000000000
1315 })
1316 ]
1317%
1318% BASIS SET: (20s,13p,9d,1f) -> [6s,5p,3d,1f]
1319 bromine: "cc-pVTZ": [
1320 (type: [am = s am = s am = s am = s]
1321 {exp coef:0 coef:1 coef:2 coef:3} = {
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1323 1593400.0000 0.46100000000E-04 -0.14500000000E-04 0.57000000000E-05 -0.18000000000E-05
1324 362610.00000 0.24220000000E-03 -0.76100000000E-04 0.30300000000E-04 -0.93000000000E-05
1325 102700.00000 0.10226000000E-02 -0.32100000000E-03 0.12750000000E-03 -0.39100000000E-04
1326 33501.000000 0.37113000000E-02 -0.11709000000E-02 0.46590000000E-03 -0.14280000000E-03
1327 12093.000000 0.11978500000E-01 -0.37968000000E-02 0.15096000000E-02 -0.46280000000E-03
1328 4715.9000000 0.34692700000E-01 -0.11230700000E-01 0.44852000000E-02 -0.13750000000E-02
1329 1955.6000000 0.89123900000E-01 -0.29927700000E-01 0.11983500000E-01 -0.36784000000E-02
1330 852.61000000 0.19345570000 -0.71270600000E-01 0.28957100000E-01 -0.88981000000E-02
1331 387.67000000 0.32090190000 -0.14031360000 0.58156600000E-01 -0.17952900000E-01
1332 182.68000000 0.32992330000 -0.20307630000 0.88813300000E-01 -0.27573200000E-01
1333 88.245000000 0.14941210000 -0.96098500000E-01 0.44524400000E-01 -0.14095300000E-01
1334 39.263000000 0.14993800000E-01 0.35580860000 -0.20603870000 0.67256100000E-01
1335 19.234000000 -0.91650000000E-03 0.59217920000 -0.51270170000 0.17669280000
1336 9.4057000000 0.43800000000E-03 0.22159770000 -0.15093490000 0.52886100000E-01
1337 4.1601000000 -0.23980000000E-03 0.13764800000E-01 0.67892030000 -0.30759550000
1338 1.8995000000 0.73600000000E-04 0.83950000000E-03 0.58176970000 -0.47006580000
1339 0.30114000000 0.23900000000E-04 -0.85000000000E-05 -0.11182500000E-01 0.69803410000
1340 })
1341 (type: [am = s]
1342 {exp coef:0} = {
1343 0.60472000000 1.0000000000
1344 })
1345 (type: [am = s]
1346 {exp coef:0} = {
1347 0.12515000000 1.0000000000
1348 })
1349 (type: [am = p am = p am = p]
1350 {exp coef:0 coef:1 coef:2} = {
1351 8676.5000000 0.43570000000E-03 -0.17480000000E-03 0.45100000000E-04
1352 2055.9000000 0.37815000000E-02 -0.15263000000E-02 0.39640000000E-03
1353 666.23000000 0.20478200000E-01 -0.83399000000E-02 0.21555000000E-02
1354 253.10000000 0.79283400000E-01 -0.33220300000E-01 0.86720000000E-02
1355 106.12000000 0.21784730000 -0.95418000000E-01 0.24868000000E-01
1356 47.242000000 0.38785850000 -0.18240260000 0.48547200000E-01
1357 21.825000000 0.35943500000 -0.15583080000 0.39615600000E-01
1358 9.9684000000 0.11219950000 0.18678990000 -0.60574900000E-01
1359 4.5171000000 0.43874000000E-02 0.54277330000 -0.18716990000
1360 1.9982000000 0.17809000000E-02 0.38733090000 -0.13777570000
1361 0.28145000000 0.21220000000E-03 -0.43784000000E-02 0.57608960000
1362 })
1363 (type: [am = p]
1364 {exp coef:0} = {
1365 0.70988000000 1.0000000000
1366 })
1367 (type: [am = p]
1368 {exp coef:0} = {
1369 0.10204000000 1.0000000000
1370 })
1371 (type: [(am = d puream = 1)]
1372 {exp coef:0} = {
1373 403.83000000 0.14732000000E-02
1374 121.17000000 0.12672500000E-01
1375 46.345000000 0.58045100000E-01
1376 19.721000000 0.17051030000
1377 8.8624000000 0.31859580000
1378 3.9962000000 0.38450230000
1379 1.7636000000 0.27377370000
1380 })
1381 (type: [(am = d puream = 1)]
1382 {exp coef:0} = {
1383 0.70619000000 1.0000000000
1384 })
1385 (type: [(am = d puream = 1)]
1386 {exp coef:0} = {
1387 0.26390000000 1.0000000000
1388 })
1389 (type: [(am = f puream = 1)]
1390 {exp coef:0} = {
1391 0.55150000000 1.0000000000
1392 })
1393 ]
1394%
1395% BASIS SET: (20s,13p,9d,1f) -> [6s,5p,3d,1f]
1396 krypton: "cc-pVTZ": [
1397 (type: [am = s am = s am = s am = s]
1398 {exp coef:0 coef:1 coef:2 coef:3} = {
1399 11718113.000 0.56000000000E-05 -0.18000000000E-05 0.70000000000E-06 -0.20000000000E-06
1400 1754604.4000 0.43800000000E-04 -0.13800000000E-04 0.55000000000E-05 -0.18000000000E-05
1401 399281.32000 0.23050000000E-03 -0.72600000000E-04 0.29200000000E-04 -0.93000000000E-05
1402 113084.57000 0.97330000000E-03 -0.30630000000E-03 0.12280000000E-03 -0.39100000000E-04
1403 36885.925000 0.35337000000E-02 -0.11177000000E-02 0.44910000000E-03 -0.14300000000E-03
1404 13312.209000 0.11416700000E-01 -0.36270000000E-02 0.14557000000E-02 -0.46390000000E-03
1405 5189.9883000 0.33132500000E-01 -0.10743200000E-01 0.43319000000E-02 -0.13801000000E-02
1406 2151.6597000 0.85446400000E-01 -0.28699200000E-01 0.11596500000E-01 -0.37001000000E-02
1407 938.03251000 0.18691240000 -0.68667900000E-01 0.28158500000E-01 -0.89921000000E-02
1408 426.55732000 0.31497610000 -0.13651550000 0.57033900000E-01 -0.18302100000E-01
1409 201.06660000 0.33433340000 -0.20224580000 0.89135600000E-01 -0.28755900000E-01
1410 97.097605000 0.16088100000 -0.10905690000 0.50842100000E-01 -0.16732400000E-01
1411 42.998724000 0.17843500000E-01 0.33187680000 -0.19210300000 0.65241000000E-01
1412 21.177075000 -0.13793000000E-02 0.59482500000 -0.51210400000 0.18344220000
1413 10.426752000 0.65720000000E-03 0.24248250000 -0.18570070000 0.69218300000E-01
1414 4.5850080000 -0.33880000000E-03 0.17224100000E-01 0.66541190000 -0.31560340000
1415 2.1176030000 0.12110000000E-03 0.36850000000E-03 0.60239250000 -0.50315010000
1416 0.34922500000 0.36600000000E-04 -0.11530000000E-03 -0.10645300000E-01 0.71715710000
1417 })
1418 (type: [am = s]
1419 {exp coef:0} = {
1420 0.70705700000 1.0000000000
1421 })
1422 (type: [am = s]
1423 {exp coef:0} = {
1424 0.14482100000 1.0000000000
1425 })
1426 (type: [am = p am = p am = p]
1427 {exp coef:0 coef:1 coef:2} = {
1428 9366.3090000 0.42310000000E-03 -0.17200000000E-03 0.46600000000E-04
1429 2219.5543000 0.36743000000E-02 -0.15025000000E-02 0.41000000000E-03
1430 719.45288000 0.19931200000E-01 -0.82269000000E-02 0.22328000000E-02
1431 273.46446000 0.77422200000E-01 -0.32856600000E-01 0.90144000000E-02
1432 114.75225000 0.21403860000 -0.95013500000E-01 0.26011500000E-01
1433 51.155569000 0.38485560000 -0.18331060000 0.51334000000E-01
1434 23.682676000 0.36263400000 -0.16121610000 0.43092900000E-01
1435 10.875484000 0.11708180000 0.17876440000 -0.61504000000E-01
1436 4.9551310000 0.51210000000E-02 0.54378850000 -0.20034240000
1437 2.2172670000 0.17539000000E-02 0.39133870000 -0.14573640000
1438 0.32215400000 0.21990000000E-03 -0.47800000000E-02 0.57645810000
1439 })
1440 (type: [am = p]
1441 {exp coef:0} = {
1442 0.80641000000 1.0000000000
1443 })
1444 (type: [am = p]
1445 {exp coef:0} = {
1446 0.11761900000 1.0000000000
1447 })
1448 (type: [(am = d puream = 1)]
1449 {exp coef:0} = {
1450 446.16133000 0.14044000000E-02
1451 133.96477000 0.12171500000E-01
1452 51.345907000 0.56391900000E-01
1453 21.916906000 0.16764300000
1454 9.8937250000 0.31773680000
1455 4.4925270000 0.38726470000
1456 2.0022930000 0.27280060000
1457 })
1458 (type: [(am = d puream = 1)]
1459 {exp coef:0} = {
1460 0.80840900000 1.0000000000
1461 })
1462 (type: [(am = d puream = 1)]
1463 {exp coef:0} = {
1464 0.30060000000 1.0000000000
1465 })
1466 (type: [(am = f puream = 1)]
1467 {exp coef:0} = {
1468 0.66220000000 1.0000000000
1469 })
1470 ]
1471)
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