File: aug-cc-pCVDZ

package info (click to toggle)
ergo 3.5-1
  • links: PTS, VCS
  • area: main
  • in suites: buster, stretch
  • size: 17,044 kB
  • ctags: 6,813
  • sloc: cpp: 91,488; ansic: 15,728; sh: 6,416; makefile: 1,287; yacc: 123; lex: 108
file content (424 lines) | stat: -rwxr-xr-x 25,568 bytes parent folder | download | duplicates (3)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
$Basis = aug-cc-pCVDZ

$Elements supported
$H He B C N O F Al Si P S Cl Ar
$
$  REFERENCE
$Elements                             References                                
$--------                             ----------                                
$ H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
$ He    : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).      
$Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
$Na - Mg: D.E. Woon and T.H. Dunning, Jr.  (to be published)                    
$Al - Ar: D.E. Woon and T.H. Dunning, Jr.  J. Chem. Phys. 98, 1358 (1993).      
$Ca     : J. Koput and K.A. Peterson, J. Phys. Chem. A, 106, 9595 (2002).
$
$  POLARIZATION AND/OR DIFFUSE FUNCTIONS
$  Polarization and/or diffuse functions
$Elements                             References                                
$--------                             ----------                                
$ H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
$Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989) and D. E. Woon and   
$         D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 103, 4572 (1995).                    
$Al - Ar: K.A. Peterson and T.H. Dunning, Jr. J. Chem. Phys. 117, 10548 (2002)  
$Ca     : K.A. Peterson (to be published)
$
************************************************************************
a 1
$ HYDROGEN     (4s,1p) -> [2s,1p]                                
$ HYDROGEN     Diffuse (1s,1p)                                   
$ S-TYPE FUNCTIONS
    5    3    0
     13.0100000  0.01968500  0.00000000  0.00000000
      1.9620000  0.13797700  0.00000000  0.00000000
      0.4446000  0.47814800  0.00000000  0.00000000
      0.1220000  0.50124000  1.00000000  0.00000000
      0.0297400  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    2    2    0
      0.7270000  1.00000000  0.00000000
      0.1410000  0.00000000  1.00000000
a 2
$ HELIUM       (4s,1p) -> [2s,1p]                                
$ HELIUM       Diffuse (1s,1p)                                   
$ S-TYPE FUNCTIONS
    5    3    0
     38.3600000  0.02380900  0.00000000  0.00000000
      5.7700000  0.15489100  0.00000000  0.00000000
      1.2400000  0.46998700  0.00000000  0.00000000
      0.2976000  0.51302700  1.00000000  0.00000000
      0.0725500  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    2    2    0
      1.2750000  1.00000000  0.00000000
      0.2473000  0.00000000  1.00000000
a 5
$ BORON        (9s,4p,1d) -> [3s,2p,1d]                          
$ BORON        Tight (1s,1p)                                     
$ BORON        Diffuse (1s,1p,1d)                                
$ S-TYPE FUNCTIONS
   11    5    0
   4570.0000000  0.00069600 -0.00013900  0.00000000  0.00000000  0.00000000
    685.9000000  0.00535300 -0.00109700  0.00000000  0.00000000  0.00000000
    156.5000000  0.02713400 -0.00544400  0.00000000  0.00000000  0.00000000
     44.4700000  0.10138000 -0.02191600  0.00000000  0.00000000  0.00000000
     14.4800000  0.27205500 -0.05975100  0.00000000  0.00000000  0.00000000
      5.1310000  0.44840300 -0.13873200  0.00000000  0.00000000  0.00000000
      1.8980000  0.29012300 -0.13148200  0.00000000  0.00000000  0.00000000
      0.3329000  0.01432200  0.53952600  0.00000000  0.00000000  0.00000000
      0.1043000 -0.00348600  0.58077400  1.00000000  0.00000000  0.00000000
      3.0660000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0310500  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    4    0
      6.0010000  0.03548100  0.00000000  0.00000000  0.00000000
      1.2410000  0.19807200  0.00000000  0.00000000  0.00000000
      0.3364000  0.50523000  0.00000000  0.00000000  0.00000000
      0.0953800  0.47949900  1.00000000  0.00000000  0.00000000
      9.9400000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0237800  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    2    2    0
      0.3430000  1.00000000  0.00000000
      0.0904000  0.00000000  1.00000000
a 6
$ CARBON       (9s,4p,1d) -> [3s,2p,1d]                          
$ CARBON       Tight (1s,1p)                                     
$ CARBON       Diffuse (1s,1p,1d)                                
$ S-TYPE FUNCTIONS
   11    5    0
   6665.0000000  0.00069200 -0.00014600  0.00000000  0.00000000  0.00000000
   1000.0000000  0.00532900 -0.00115400  0.00000000  0.00000000  0.00000000
    228.0000000  0.02707700 -0.00572500  0.00000000  0.00000000  0.00000000
     64.7100000  0.10171800 -0.02331200  0.00000000  0.00000000  0.00000000
     21.0600000  0.27474000 -0.06395500  0.00000000  0.00000000  0.00000000
      7.4950000  0.44856400 -0.14998100  0.00000000  0.00000000  0.00000000
      2.7970000  0.28507400 -0.12726200  0.00000000  0.00000000  0.00000000
      0.5215000  0.01520400  0.54452900  0.00000000  0.00000000  0.00000000
      0.1596000 -0.00319100  0.58049600  1.00000000  0.00000000  0.00000000
      4.5300000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0469000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    4    0
      9.4390000  0.03810900  0.00000000  0.00000000  0.00000000
      2.0020000  0.20948000  0.00000000  0.00000000  0.00000000
      0.5456000  0.50855700  0.00000000  0.00000000  0.00000000
      0.1517000  0.46884200  1.00000000  0.00000000  0.00000000
     14.5570000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0404100  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    2    2    0
      0.5500000  1.00000000  0.00000000
      0.1510000  0.00000000  1.00000000
a 7
$ NITROGEN     (9s,4p,1d) -> [3s,2p,1d]                          
$ NITROGEN     Tight (1s,1p)                                     
$ NITROGEN     Diffuse (1s,1p,1d)                                
$ S-TYPE FUNCTIONS
   11    5    0
   9046.0000000  0.00070000 -0.00015300  0.00000000  0.00000000  0.00000000
   1357.0000000  0.00538900 -0.00120800  0.00000000  0.00000000  0.00000000
    309.3000000  0.02740600 -0.00599200  0.00000000  0.00000000  0.00000000
     87.7300000  0.10320700 -0.02454400  0.00000000  0.00000000  0.00000000
     28.5600000  0.27872300 -0.06745900  0.00000000  0.00000000  0.00000000
     10.2100000  0.44854000 -0.15807800  0.00000000  0.00000000  0.00000000
      3.8380000  0.27823800 -0.12183100  0.00000000  0.00000000  0.00000000
      0.7466000  0.01544000  0.54900300  0.00000000  0.00000000  0.00000000
      0.2248000 -0.00286400  0.57881500  1.00000000  0.00000000  0.00000000
      6.2330000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0612400  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    4    0
     13.5500000  0.03991900  0.00000000  0.00000000  0.00000000
      2.9170000  0.21716900  0.00000000  0.00000000  0.00000000
      0.7973000  0.51031900  0.00000000  0.00000000  0.00000000
      0.2185000  0.46221400  1.00000000  0.00000000  0.00000000
     19.9770000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0561100  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    2    2    0
      0.8170000  1.00000000  0.00000000
      0.2300000  0.00000000  1.00000000
a 8
$ OXYGEN       (9s,4p,1d) -> [3s,2p,1d]                          
$ OXYGEN       Tight (1s,1p)                                     
$ OXYGEN       Diffuse (1s,1p,1d)                                
$ S-TYPE FUNCTIONS
   11    5    0
  11720.0000000  0.00071000 -0.00016000  0.00000000  0.00000000  0.00000000
   1759.0000000  0.00547000 -0.00126300  0.00000000  0.00000000  0.00000000
    400.8000000  0.02783700 -0.00626700  0.00000000  0.00000000  0.00000000
    113.7000000  0.10480000 -0.02571600  0.00000000  0.00000000  0.00000000
     37.0300000  0.28306200 -0.07092400  0.00000000  0.00000000  0.00000000
     13.2700000  0.44871900 -0.16541100  0.00000000  0.00000000  0.00000000
      5.0250000  0.27095200 -0.11695500  0.00000000  0.00000000  0.00000000
      1.0130000  0.01545800  0.55736800  0.00000000  0.00000000  0.00000000
      0.3023000 -0.00258500  0.57275900  1.00000000  0.00000000  0.00000000
      8.2150000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0789600  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    4    0
     17.7000000  0.04301800  0.00000000  0.00000000  0.00000000
      3.8540000  0.22891300  0.00000000  0.00000000  0.00000000
      1.0460000  0.50872800  0.00000000  0.00000000  0.00000000
      0.2753000  0.46053100  1.00000000  0.00000000  0.00000000
     26.0560000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0685600  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    2    2    0
      1.1850000  1.00000000  0.00000000
      0.3320000  0.00000000  1.00000000
a 9
$ FLUORINE     (9s,4p,1d) -> [3s,2p,1d]                          
$ FLUORINE     Tight (1s,1p)                                     
$ FLUORINE     Diffuse (1s,1p,1d)                                
$ S-TYPE FUNCTIONS
   11    5    0
  14710.0000000  0.00072100 -0.00016500  0.00000000  0.00000000  0.00000000
   2207.0000000  0.00555300 -0.00130800  0.00000000  0.00000000  0.00000000
    502.8000000  0.02826700 -0.00649500  0.00000000  0.00000000  0.00000000
    142.6000000  0.10644400 -0.02669100  0.00000000  0.00000000  0.00000000
     46.4700000  0.28681400 -0.07369000  0.00000000  0.00000000  0.00000000
     16.7000000  0.44864100 -0.17077600  0.00000000  0.00000000  0.00000000
      6.3560000  0.26476100 -0.11232700  0.00000000  0.00000000  0.00000000
      1.3160000  0.01533300  0.56281400  0.00000000  0.00000000  0.00000000
      0.3897000 -0.00233200  0.56877800  1.00000000  0.00000000  0.00000000
     10.4260000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0986300  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    4    0
     22.6700000  0.04487800  0.00000000  0.00000000  0.00000000
      4.9770000  0.23571800  0.00000000  0.00000000  0.00000000
      1.3470000  0.50852100  0.00000000  0.00000000  0.00000000
      0.3471000  0.45812000  1.00000000  0.00000000  0.00000000
     32.8300000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0850200  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    2    2    0
      1.6400000  1.00000000  0.00000000
      0.4640000  0.00000000  1.00000000
a 13
$ ALUMINUM     (12s,8p,1d) -> [4s,3p,1d]                                        
$ ALUMINUM     Tight (1s,1p,1d)                                                 
$ ALUMINUM     Diffuse (1s,1p,1d)                                               
$ S-TYPE FUNCTIONS
   14    6    0
    64150.00000  0.00029025 -0.00007580  0.00001751  0.00000000  0.00000000  0.00000000
  9617.00000000  0.00225064 -0.00058179  0.00013421  0.00000000  0.00000000  0.00000000
  2189.00000000  0.01164590 -0.00308113  0.00071244  0.00000000  0.00000000  0.00000000
   620.50000000  0.04673770 -0.01231120  0.00284330  0.00000000  0.00000000  0.00000000
   202.70000000  0.14629900 -0.04197810  0.00976842  0.00000000  0.00000000  0.00000000
    73.15000000  0.33028300 -0.10337100  0.02418500  0.00000000  0.00000000  0.00000000
    28.55000000  0.41586100 -0.19630800  0.04749930  0.00000000  0.00000000  0.00000000
    11.77000000  0.18925300 -0.08300020  0.02036210  0.00000000  0.00000000  0.00000000
     3.30000000  0.01158890  0.54104000 -0.15878800  0.00000000  0.00000000  0.00000000
     1.17300000 -0.00128385  0.57879600 -0.31169400  0.00000000  0.00000000  0.00000000
     0.17520000  0.00042588  0.02881470  0.62014700  0.00000000  0.00000000  0.00000000
     0.06473000 -0.00019928 -0.00953795  0.52094300  1.00000000  0.00000000  0.00000000
     4.03000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.02310000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   10    5    0
   258.80000000  0.00406847 -0.00074805  0.00000000  0.00000000  0.00000000
    60.89000000  0.03068150 -0.00545796  0.00000000  0.00000000  0.00000000
    19.14000000  0.12914900 -0.02453710  0.00000000  0.00000000  0.00000000
     6.88100000  0.32083100 -0.05821380  0.00000000  0.00000000  0.00000000
     2.57400000  0.45381500 -0.09837560  0.00000000  0.00000000  0.00000000
     0.95720000  0.27506600 -0.02600640  0.00000000  0.00000000  0.00000000
     0.20990000  0.01908070  0.46402000  0.00000000  0.00000000  0.00000000
     0.05986000 -0.00312848  0.64887000  1.00000000  0.00000000  0.00000000
     1.52900000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.01530000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    3    3    0
     0.18900000  1.00000000  0.00000000  0.00000000
     4.72500000  0.00000000  1.00000000  0.00000000
     0.53500000  0.00000000  0.00000000  1.00000000
a 14
$ SILICON      (12s,8p,1d) -> [4s,3p,1d]                                        
$ SILICON      Tight (1s,1p,1d)                                                 
$ SILICON      Diffuse (1s,1p,1d)                                               
$ S-TYPE FUNCTIONS
   14    6    0
    78860.00000  0.00027044 -0.00007232  0.00001851  0.00000000  0.00000000  0.00000000
    11820.00000  0.00209717 -0.00055512  0.00014224  0.00000000  0.00000000  0.00000000
  2692.00000000  0.01085060 -0.00293805  0.00075219  0.00000000  0.00000000  0.00000000
   763.40000000  0.04367540 -0.01176870  0.00302279  0.00000000  0.00000000  0.00000000
   249.60000000  0.13765300 -0.04029070  0.01036770  0.00000000  0.00000000  0.00000000
    90.28000000  0.31664400 -0.10060900  0.02625630  0.00000000  0.00000000  0.00000000
    35.29000000  0.41858100 -0.19652800  0.05239890  0.00000000  0.00000000  0.00000000
    14.51000000  0.21021200 -0.10238200  0.02909590  0.00000000  0.00000000  0.00000000
     4.05300000  0.01449520  0.52719000 -0.17800300  0.00000000  0.00000000  0.00000000
     1.48200000 -0.00203590  0.59325100 -0.34687400  0.00000000  0.00000000  0.00000000
     0.25170000  0.00062419  0.03326520  0.62302000  0.00000000  0.00000000  0.00000000
     0.09243000 -0.00028287 -0.00973662  0.53771200  1.00000000  0.00000000  0.00000000
     4.95900000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.03320000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   10    5    0
   315.90000000  0.00392656 -0.00085830  0.00000000  0.00000000  0.00000000
    74.42000000  0.02988110 -0.00630328  0.00000000  0.00000000  0.00000000
    23.48000000  0.12721200 -0.02882550  0.00000000  0.00000000  0.00000000
     8.48800000  0.32094300 -0.06945600  0.00000000  0.00000000  0.00000000
     3.21700000  0.45542900 -0.11949300  0.00000000  0.00000000  0.00000000
     1.22900000  0.26856300 -0.01995810  0.00000000  0.00000000  0.00000000
     0.29640000  0.01883360  0.51026800  0.00000000  0.00000000  0.00000000
     0.08768000 -0.00262431  0.60038200  1.00000000  0.00000000  0.00000000
     1.99800000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.02500000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    3    3    0
     0.27500000  1.00000000  0.00000000  0.00000000
     5.80600000  0.00000000  1.00000000  0.00000000
     0.82300000  0.00000000  0.00000000  1.00000000
a 15
$ PHOSPHORUS   (12s,8p,1d) -> [4s,3p,1d]                                        
$ PHOSPHORUS   Tight (1s,1p,1d)                                                 
$ PHOSPHORUS   Diffuse (1s,1p,1d)                                               
$ S-TYPE FUNCTIONS
   14    6    0
    94840.00000  0.00025551 -0.00006969  0.00001912  0.00000000  0.00000000  0.00000000
    14220.00000  0.00198193 -0.00053527  0.00014722  0.00000000  0.00000000  0.00000000
  3236.00000000  0.01027600 -0.00283709  0.00077791  0.00000000  0.00000000  0.00000000
   917.10000000  0.04148230 -0.01139830  0.00314546  0.00000000  0.00000000  0.00000000
   299.50000000  0.13198400 -0.03929290  0.01082000  0.00000000  0.00000000  0.00000000
   108.10000000  0.30866200 -0.09963640  0.02799570  0.00000000  0.00000000  0.00000000
    42.18000000  0.42064700 -0.19798300  0.05639780  0.00000000  0.00000000  0.00000000
    17.28000000  0.22287800 -0.11486000  0.03581900  0.00000000  0.00000000  0.00000000
     4.85800000  0.01640350  0.51859500 -0.19338700  0.00000000  0.00000000  0.00000000
     1.81800000 -0.00254255  0.60184700 -0.37209700  0.00000000  0.00000000  0.00000000
     0.33720000  0.00074805  0.03686120  0.62424600  0.00000000  0.00000000  0.00000000
     0.12320000 -0.00033096 -0.00970759  0.55172100  1.00000000  0.00000000  0.00000000
     5.97700000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.04170000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   10    5    0
   370.50000000  0.00395005 -0.00095983  0.00000000  0.00000000  0.00000000
    87.33000000  0.03024920 -0.00711177  0.00000000  0.00000000  0.00000000
    27.59000000  0.12955400 -0.03271220  0.00000000  0.00000000  0.00000000
    10.00000000  0.32759400 -0.07957840  0.00000000  0.00000000  0.00000000
     3.82500000  0.45699200 -0.13501600  0.00000000  0.00000000  0.00000000
     1.49400000  0.25308600 -0.00910585  0.00000000  0.00000000  0.00000000
     0.39210000  0.01687980  0.53780200  0.00000000  0.00000000  0.00000000
     0.11860000 -0.00207093  0.56906600  1.00000000  0.00000000  0.00000000
     2.52400000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.03430000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    3    3    0
     0.37300000  1.00000000  0.00000000  0.00000000
     7.02000000  0.00000000  1.00000000  0.00000000
     0.11300000  0.00000000  0.00000000  1.00000000
a 16
$ SULFUR       (12s,8p,1d) -> [4s,3p,1d]                                        
$ SULFUR       Tight (1s,1p,1d)                                                 
$ SULFUR       Diffuse (1s,1p,1d)                                               
$ S-TYPE FUNCTIONS
   14    6    0
   110800.00000  0.00024764 -0.00006870  0.00001991  0.00000000  0.00000000  0.00000000
    16610.00000  0.00192026 -0.00052768  0.00015348  0.00000000  0.00000000  0.00000000
  3781.00000000  0.00996192 -0.00279671  0.00080950  0.00000000  0.00000000  0.00000000
  1071.00000000  0.04029750 -0.01126510  0.00328974  0.00000000  0.00000000  0.00000000
   349.80000000  0.12860400 -0.03888340  0.01129670  0.00000000  0.00000000  0.00000000
   126.30000000  0.30348000 -0.09950250  0.02963850  0.00000000  0.00000000  0.00000000
    49.26000000  0.42143200 -0.19974000  0.05998510  0.00000000  0.00000000  0.00000000
    20.16000000  0.23078100 -0.12336000  0.04132480  0.00000000  0.00000000  0.00000000
     5.72000000  0.01789710  0.51319400 -0.20747400  0.00000000  0.00000000  0.00000000
     2.18200000 -0.00297516  0.60712000 -0.39288900  0.00000000  0.00000000  0.00000000
     0.43270000  0.00084952  0.03967530  0.63284000  0.00000000  0.00000000  0.00000000
     0.15700000 -0.00036794 -0.00946864  0.55692400  1.00000000  0.00000000  0.00000000
     7.08300000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.05070000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   10    5    0
   399.70000000  0.00447541 -0.00116251  0.00000000  0.00000000  0.00000000
    94.19000000  0.03417080 -0.00865664  0.00000000  0.00000000  0.00000000
    29.75000000  0.14425000 -0.03908860  0.00000000  0.00000000  0.00000000
    10.77000000  0.35392800 -0.09346250  0.00000000  0.00000000  0.00000000
     4.11900000  0.45908500 -0.14799400  0.00000000  0.00000000  0.00000000
     1.62500000  0.20638300  0.03019040  0.00000000  0.00000000  0.00000000
     0.47260000  0.01021410  0.56157300  0.00000000  0.00000000  0.00000000
     0.14070000 -0.00006031  0.53477600  1.00000000  0.00000000  0.00000000
     3.08900000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.03990000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    3    3    0
     0.47900000  1.00000000  0.00000000  0.00000000
     8.36300000  0.00000000  1.00000000  0.00000000
     0.15200000  0.00000000  0.00000000  1.00000000
a 17
$ CHLORINE     (12s,8p,1d) -> [4s,3p,1d]                                        
$ CHLORINE     Tight (1s,1p,1d)                                                 
$ CHLORINE     Diffuse (1s,1p,1d)                                               
$ S-TYPE FUNCTIONS
   14    6    0
   127900.00000  0.00024115 -0.00006789  0.00002050  0.00000000  0.00000000  0.00000000
    19170.00000  0.00187095 -0.00052184  0.00015830  0.00000000  0.00000000  0.00000000
  4363.00000000  0.00970827 -0.00276513  0.00083364  0.00000000  0.00000000  0.00000000
  1236.00000000  0.03931530 -0.01115370  0.00339880  0.00000000  0.00000000  0.00000000
   403.60000000  0.12593200 -0.03859190  0.01167380  0.00000000  0.00000000  0.00000000
   145.70000000  0.29934100 -0.09948480  0.03096220  0.00000000  0.00000000  0.00000000
    56.81000000  0.42188600 -0.20139200  0.06295330  0.00000000  0.00000000  0.00000000
    23.23000000  0.23720100 -0.13031300  0.04602570  0.00000000  0.00000000  0.00000000
     6.64400000  0.01915310  0.50944300 -0.21931200  0.00000000  0.00000000  0.00000000
     2.57500000 -0.00334792  0.61072500 -0.40877300  0.00000000  0.00000000  0.00000000
     0.53710000  0.00092988  0.04215490  0.63846500  0.00000000  0.00000000  0.00000000
     0.19380000 -0.00039638 -0.00923427  0.56236200  1.00000000  0.00000000  0.00000000
     8.27300000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.06080000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   10    5    0
   417.60000000  0.00525982 -0.00143570  0.00000000  0.00000000  0.00000000
    98.33000000  0.03983320 -0.01077960  0.00000000  0.00000000  0.00000000
    31.04000000  0.16465500 -0.04700750  0.00000000  0.00000000  0.00000000
    11.19000000  0.38732200 -0.11103000  0.00000000  0.00000000  0.00000000
     4.24900000  0.45707200 -0.15327500  0.00000000  0.00000000  0.00000000
     1.62400000  0.15163600  0.08946090  0.00000000  0.00000000  0.00000000
     0.53220000  0.00181615  0.57944400  0.00000000  0.00000000  0.00000000
     0.16200000  0.00188296  0.48327200  1.00000000  0.00000000  0.00000000
     3.69700000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.04660000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    3    3    0
     0.60000000  1.00000000  0.00000000  0.00000000
     9.84400000  0.00000000  1.00000000  0.00000000
     0.19600000  0.00000000  0.00000000  1.00000000
a 18
$ ARGON        (12s,8p,1d) -> [4s,3p,1d]                                        
$ ARGON        Tight (1s,1p,1d)                                                 
$ ARGON        Diffuse (1s,1p,1d)                                               
$ S-TYPE FUNCTIONS
   14    6    0
   145700.00000  0.00023670 -0.00006749  0.00002105  0.00000000  0.00000000  0.00000000
    21840.00000  0.00183523 -0.00051852  0.00016257  0.00000000  0.00000000  0.00000000
  4972.00000000  0.00952860 -0.00274825  0.00085546  0.00000000  0.00000000  0.00000000
  1408.00000000  0.03862830 -0.01110070  0.00349745  0.00000000  0.00000000  0.00000000
   459.70000000  0.12408100 -0.03848200  0.01201560  0.00000000  0.00000000  0.00000000
   165.90000000  0.29647100 -0.09975990  0.03213680  0.00000000  0.00000000  0.00000000
    64.69000000  0.42206800 -0.20308800  0.06552790  0.00000000  0.00000000  0.00000000
    26.44000000  0.24171100 -0.13560800  0.04993700  0.00000000  0.00000000  0.00000000
     7.62800000  0.02005090  0.50719500 -0.22976900  0.00000000  0.00000000  0.00000000
     2.99600000 -0.00361000  0.61289800 -0.42100600  0.00000000  0.00000000  0.00000000
     0.65040000  0.00097561  0.04429680  0.64233100  0.00000000  0.00000000  0.00000000
     0.23370000 -0.00041132 -0.00899278  0.56754000  1.00000000  0.00000000  0.00000000
     9.54800000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.07090000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   10    5    0
   453.70000000  0.00570555 -0.00160655  0.00000000  0.00000000  0.00000000
   106.80000000  0.04304600 -0.01217140  0.00000000  0.00000000  0.00000000
    33.73000000  0.17659100 -0.05207890  0.00000000  0.00000000  0.00000000
    12.13000000  0.40686300 -0.12373700  0.00000000  0.00000000  0.00000000
     4.59400000  0.45254900 -0.15161900  0.00000000  0.00000000  0.00000000
     1.67800000  0.12280100  0.14242500  0.00000000  0.00000000  0.00000000
     0.59090000 -0.00445996  0.58450100  0.00000000  0.00000000  0.00000000
     0.18520000  0.00205225  0.43754000  1.00000000  0.00000000  0.00000000
     4.36100000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.05330000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    3    3    0
     0.73800000  1.00000000  0.00000000  0.00000000
    11.45900000  0.00000000  1.00000000  0.00000000
     0.24000000  0.00000000  0.00000000  1.00000000