This file is indexed.

/usr/share/psi/basis/6-311pgs.gbs is in psi4-data 1:0.3-5.

This file is owned by root:root, with mode 0o644.

The actual contents of the file can be viewed below.

  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
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
spherical

!
!  6-311G  EMSL  Basis Set Exchange Library   8/18/10 10:48 PM
! Elements                             References
! --------                             ----------
! H, Li - Ne: R. Krishnan, J.S. Binkley, R. Seeger and J.A. Pople,
!             J. Chem. Phys. 72, 650 (1980)
! Na - Ar:    A.D. McLean and G.S. Chandler J. Chem. Phys. 72, 5639, (1980).
! K  - Ca:    J-P. Blaudeau, M. P. McGrath, L.A. Curtiss and L. Radom,
!             J. Chem. Phys. 107, 5016 (1997).
! Ga - Kr:    L. A. Curtiss, M. P. McGrath, J-P. Blandeau, N. E. Davis, 
!             R. C. Binning, Jr. L. Radom, J. Chem. Phys. 103, 6104 (1995).
! I      :    M.N. Glukhovstev, A. pross, M.P. McGrath, L. Radom, J. Chem. Phys.
!             103, 1878 (1995)
!   
!
!  6-311G* Polarization  EMSL  Basis Set Exchange Library   8/18/10 10:51 PM
! Elements                             References
! --------                             ----------
! Li - Ar: R. Krishnan, J.S. Binkley, R. Seeger, J.A. Pople, J. Chem. Phys. 72,
!          650 (1980).
! K  - Ca: J-P. Blaudeau, M. P. McGrath, L.A. Curtiss
!                                    and L. Radom, J. Chem. Phys. 107, 5016
!                                    (1997).
! Ga - Kr: L. A. Curtiss, M. P. McGrath, J-P. Blandeau, N. E. Davis, R. C. 
!          Binning, Jr., L. Radom, J. Chem. Phys. 103, 6104 (1995)
!   
!
! merged from basis-6311g.gbs and polarization-6311g-_d_.gbs at Thu, 03:44 Aug 19, 2010
!
!
!  Pople-style Diffuse  EMSL  Basis Set Exchange Library   8/18/10 12:32 AM
! Elements                             Reference
! --------                             ----------
! H, Li-Cl: T. Clark, J. Chandrasekhar,  G.W. Spitznagel, P.V.R. Schleyer, 
!           J. Comp. Chem. 4, 294 (1983).
!   
!
! merged from 6-311g_d_.gbs and diffuse-pople-p.gbs at Thu, 04:03 Aug 19, 2010
!



****
H     0
S   3   1.00
     33.8650000              0.0254938        
      5.0947900              0.1903730        
      1.1587900              0.8521610        
S   1   1.00
      0.3258400              1.0000000        
S   1   1.00
      0.1027410              1.0000000        
****
He     0
S   3   1.00
     98.1243000              0.0287452        
     14.7689000              0.2080610        
      3.3188300              0.8376350        
S   1   1.00
      0.8740470              1.0000000        
S   1   1.00
      0.2445640              1.0000000        
****
Li     0
S   6   1.00
    900.4600000              0.00228704       
    134.4330000              0.0176350        
     30.4365000              0.0873434        
      8.6263900              0.2809770        
      2.4833200              0.6587410        
      0.3031790              0.1187120        
SP   3   1.00
      4.8689000              0.0933293              0.0327661        
      0.8569240              0.9430450              0.1597920        
      0.2432270             -0.00279827             0.8856670        
SP   1   1.00
      0.0635070              1.0000000              1.0000000        
SP   1   1.00
      0.0243683              1.0000000              1.0000000        
D   1   1.00
      0.2000000              1.0000000        
SP   1   1.00
      0.0074000              1.0000000              1.0000000        
****
Be     0
S   6   1.00
   1682.8000000              0.00228574       
    251.7150000              0.0175938        
     57.4116000              0.0863315        
     16.5171000              0.2818350        
      4.8536400              0.6405940        
      0.6268630              0.1444670        
SP   3   1.00
      8.3093800              0.1086210              0.0361344        
      1.7407500              0.9273010              0.2169580        
      0.4858160             -0.00297169             0.8418390        
SP   1   1.00
      0.1636130              1.0000000              1.0000000        
SP   1   1.00
      0.0567285              1.0000000              1.0000000        
D   1   1.00
      0.2550000              1.0000000        
SP   1   1.00
      0.0207000              1.0000000              1.0000000        
****
B     0
S   6   1.00
   2858.8900000              0.00215375       
    428.1400000              0.0165823        
     97.5282000              0.0821870        
     27.9693000              0.2766180        
      8.2157700              0.6293160        
      1.1127800              0.1737700        
SP   3   1.00
     13.2415000              0.1174430              0.0418100        
      3.0016600              0.9180020              0.2365750        
      0.9128560             -0.00265105             0.8162140        
SP   1   1.00
      0.3154540              1.0000000              1.0000000        
SP   1   1.00
      0.0988563              1.0000000              1.0000000        
D   1   1.00
      0.4010000              1.0000000        
SP   1   1.00
      0.0315000              1.0000000              1.0000000        
****
C     0
S   6   1.00
   4563.2400000              0.00196665       
    682.0240000              0.0152306        
    154.9730000              0.0761269        
     44.4553000              0.2608010        
     13.0290000              0.6164620        
      1.8277300              0.2210060        
SP   3   1.00
     20.9642000              0.1146600              0.0402487        
      4.8033100              0.9199990              0.2375940        
      1.4593300             -0.00303068             0.8158540        
SP   1   1.00
      0.4834560              1.0000000              1.0000000        
SP   1   1.00
      0.1455850              1.0000000              1.0000000        
D   1   1.00
      0.6260000              1.0000000        
SP   1   1.00
      0.0438000              1.0000000              1.0000000        
****
N     0
S   6   1.00
   6293.4800000              0.00196979       
    949.0440000              0.0149613        
    218.7760000              0.0735006        
     63.6916000              0.2489370        
     18.8282000              0.6024600        
      2.7202300              0.2562020        
SP   3   1.00
     30.6331000              0.1119060              0.0383119        
      7.0261400              0.9216660              0.2374030        
      2.1120500             -0.00256919             0.8175920        
SP   1   1.00
      0.6840090              1.0000000              1.0000000        
SP   1   1.00
      0.2008780              1.0000000              1.0000000        
D   1   1.00
      0.9130000              1.0000000        
SP   1   1.00
      0.0639000              1.0000000              1.0000000        
****
O     0
S   6   1.00
   8588.5000000              0.00189515       
   1297.2300000              0.0143859        
    299.2960000              0.0707320        
     87.3771000              0.2400010        
     25.6789000              0.5947970        
      3.7400400              0.2808020        
SP   3   1.00
     42.1175000              0.1138890              0.0365114        
      9.6283700              0.9208110              0.2371530        
      2.8533200             -0.00327447             0.8197020        
SP   1   1.00
      0.9056610              1.0000000              1.0000000        
SP   1   1.00
      0.2556110              1.0000000              1.0000000        
D   1   1.00
      1.2920000              1.0000000        
SP   1   1.00
      0.0845000              1.0000000              1.0000000        
****
F     0
S   6   1.00
  11427.1000000              0.00180093       
   1722.3500000              0.0137419        
    395.7460000              0.0681334        
    115.1390000              0.2333250        
     33.6026000              0.5890860        
      4.9190100              0.2995050        
SP   3   1.00
     55.4441000              0.1145360              0.0354609        
     12.6323000              0.9205120              0.2374510        
      3.7175600             -0.00337804             0.8204580        
SP   1   1.00
      1.1654500              1.0000000              1.0000000        
SP   1   1.00
      0.3218920              1.0000000              1.0000000        
D   1   1.00
      1.7500000              1.0000000        
SP   1   1.00
      0.1076000              1.0000000              1.0000000        
****
Ne     0
S   6   1.00
  13995.7000000              0.00183276       
   2117.1000000              0.0138827        
    490.4250000              0.0680687        
    143.8330000              0.2313280        
     41.9265000              0.5858900        
      6.1568400              0.3058830        
SP   3   1.00
     69.1211000              0.1191490              0.0356574        
     15.8350000              0.9173750              0.2394770        
      4.6732600             -0.00405839             0.8184610        
SP   1   1.00
      1.4575600              1.0000000              1.0000000        
SP   1   1.00
      0.3970570              1.0000000              1.0000000        
D   1   1.00
      2.3040000              1.0000000        
SP   1   1.00
      0.1300000              1.0000000              1.0000000        
****
Na     0
S   6   1.00
  36166.4000000              0.0010320        
   5372.5800000              0.0080710        
   1213.2100000              0.0421290        
    339.6230000              0.1697890        
    109.5530000              0.5146210        
     38.7773000              0.3798170        
S   3   1.00
     38.7773000              0.3747620        
     14.5759000              0.5757690        
      5.2699300              0.1129330        
S   1   1.00
      1.8277700              1.0000000        
S   1   1.00
      0.6199480              1.0000000        
S   1   1.00
      0.0572400              1.0000000        
S   1   1.00
      0.0240480              1.0000000        
P   4   1.00
    144.6450000              0.0114850        
     33.9074000              0.0823830        
     10.6285000              0.3196580        
      3.8238900              0.7012950        
P   2   1.00
      1.4442900              0.6385060        
      0.5526210              0.4253650        
P   1   1.00
      0.1887200              1.0000000        
P   1   1.00
      0.0465010              1.0000000        
P   1   1.00
      0.0162850              1.0000000        
D   1   1.00
      0.1750000              1.0000000        
SP   1   1.00
      0.0076000              1.0000000              1.0000000        
****
Mg     0
S   6   1.00
  43866.5000000              0.0009180        
   6605.3700000              0.0070470        
   1513.2600000              0.0359410        
    432.3170000              0.1414610        
    142.1490000              0.4267640        
     51.3983000              0.4979750        
S   3   1.00
     51.3983000              0.2513550        
     19.9196000              0.6186710        
      8.0247400              0.1884170        
S   1   1.00
      2.5081700              1.0000000        
S   1   1.00
      0.8715310              1.0000000        
S   1   1.00
      0.1081880              1.0000000        
S   1   1.00
      0.0401300              1.0000000        
P   4   1.00
    193.8540000              0.0101880        
     45.4420000              0.0753600        
     14.1864000              0.3074190        
      5.0575100              0.7175750        
P   2   1.00
      1.8886100              0.6673390        
      0.7226520              0.3946490        
P   1   1.00
      0.2364170              1.0000000        
P   1   1.00
      0.0933580              1.0000000        
P   1   1.00
      0.0348090              1.0000000        
D   1   1.00
      0.1750000              1.0000000        
SP   1   1.00
      0.0146000              1.0000000              1.0000000        
****
Al     0
S   6   1.00
  54866.4890000              0.0008390        
   8211.7665000              0.0065270        
   1866.1761000              0.0336660        
    531.1293400              0.1329020        
    175.1179700              0.4012660        
     64.0055000              0.5313380        
S   3   1.00
     64.0055000              0.2023050        
     25.2925070              0.6247900        
     10.5349100              0.2274390        
S   1   1.00
      3.2067110              1.0000000        
S   1   1.00
      1.1525550              1.0000000        
S   1   1.00
      0.1766780              1.0000000        
S   1   1.00
      0.0652370              1.0000000        
P   4   1.00
    259.2836200              0.0094480        
     61.0768700              0.0709740        
     19.3032370              0.2956360        
      7.0108820              0.7282190        
P   2   1.00
      2.6738650              0.6444670        
      1.0365960              0.4174130        
P   1   1.00
      0.3168190              1.0000000        
P   1   1.00
      0.1142570              1.0000000        
P   1   1.00
      0.0413970              1.0000000        
D   1   1.00
      0.3250000              1.0000000        
SP   1   1.00
      0.0318000              1.0000000              1.0000000        
****
Si     0
S   6   1.00
  69379.2300000              0.0007570        
  10354.9400000              0.0059320        
   2333.8796000              0.0310880        
    657.1429500              0.1249670        
    214.3011300              0.3868970        
     77.6291680              0.5548880        
S   3   1.00
     77.6291680              0.1778810        
     30.6308070              0.6277650        
     12.8012950              0.2476230        
S   1   1.00
      3.9268660              1.0000000        
S   1   1.00
      1.4523430              1.0000000        
S   1   1.00
      0.2562340              1.0000000        
S   1   1.00
      0.0942790              1.0000000        
P   4   1.00
    335.4831900              0.0088660        
     78.9003660              0.0682990        
     24.9881500              0.2909580        
      9.2197110              0.7321170        
P   2   1.00
      3.6211400              0.6198790        
      1.4513100              0.4391480        
P   1   1.00
      0.5049770              1.0000000        
P   1   1.00
      0.1863170              1.0000000        
P   1   1.00
      0.0654320              1.0000000        
D   1   1.00
      0.4500000              1.0000000        
SP   1   1.00
      0.0331000              1.0000000              1.0000000        
****
P     0
S   6   1.00
  77492.4000000              0.0007810        
  11605.8000000              0.0060680        
   2645.9600000              0.0311600        
    754.9760000              0.1234310        
    248.7550000              0.3782090        
     91.1565000              0.5632620        
S   3   1.00
     91.1565000              0.1602550        
     36.2257000              0.6276470        
     15.2113000              0.2638490        
S   1   1.00
      4.7941700              1.0000000        
S   1   1.00
      1.8079300              1.0000000        
S   1   1.00
      0.3568160              1.0000000        
S   1   1.00
      0.1147830              1.0000000        
P   4   1.00
    384.8430000              0.0092060        
     90.5521000              0.0698740        
     29.1339000              0.2924700        
     10.8862000              0.7281030        
P   2   1.00
      4.3525900              0.6283490        
      1.7770600              0.4280440        
P   1   1.00
      0.6970050              1.0000000        
P   1   1.00
      0.2535320              1.0000000        
P   1   1.00
      0.0684930              1.0000000        
D   1   1.00
      0.5500000              1.0000000        
SP   1   1.00
      0.0348000              1.0000000              1.0000000        
****
S     0
S   6   1.00
  93413.4000000              0.0007430        
  13961.7000000              0.0057930        
   3169.9100000              0.0299540        
    902.4560000              0.1190280        
    297.1580000              0.3684320        
    108.7020000              0.5772990        
S   3   1.00
    108.7020000              0.1431860        
     43.1553000              0.6244650        
     18.1079000              0.2833660        
S   1   1.00
      5.5600900              1.0000000        
S   1   1.00
      2.1318300              1.0000000        
S   1   1.00
      0.4204030              1.0000000        
S   1   1.00
      0.1360450              1.0000000        
P   4   1.00
    495.0400000              0.0083090        
    117.2210000              0.0640240        
     37.7749000              0.2776140        
     14.0584000              0.7450760        
P   2   1.00
      5.5657400              0.6137120        
      2.2629700              0.4438180        
P   1   1.00
      0.8079940              1.0000000        
P   1   1.00
      0.2774600              1.0000000        
P   1   1.00
      0.0771410              1.0000000        
D   1   1.00
      0.6500000              1.0000000        
SP   1   1.00
      0.0405000              1.0000000              1.0000000        
****
Cl     0
S   6   1.00
 105819.0000000              0.0007380        
  15872.0000000              0.0057180        
   3619.6500000              0.0294950        
   1030.8000000              0.1172860        
    339.9080000              0.3629490        
    124.5380000              0.5841490        
S   3   1.00
    124.5380000              0.1341770        
     49.5135000              0.6242500        
     20.8056000              0.2917560        
S   1   1.00
      6.5834600              1.0000000        
S   1   1.00
      2.5646800              1.0000000        
S   1   1.00
      0.5597630              1.0000000        
S   1   1.00
      0.1832730              1.0000000        
P   5   1.00
    589.7760000              0.0023910        
    139.8490000              0.0185040        
     45.1413000              0.0813770        
     16.8733000              0.2215520        
      6.7411000              0.7725690        
P   2   1.00
      6.7411000             -1.5722440        
      2.7715200              0.9923890        
P   1   1.00
      1.0238700              1.0000000        
P   1   1.00
      0.3813680              1.0000000        
P   1   1.00
      0.1094370              1.0000000        
D   1   1.00
      0.7500000              1.0000000        
SP   1   1.00
      0.0483000              1.0000000              1.0000000        
****
Ar     0
S   6   1.00
 118022.3800000              0.0007470        
  17683.5410000              0.0057900        
   4027.7657000              0.0299190        
   1145.3977000              0.1192060        
    377.1637500              0.3690280        
    138.1596900              0.5764590        
S   3   1.00
    138.1596900              0.1439270        
     54.9891170              0.6229380        
     23.1706670              0.2839640        
S   1   1.00
      7.3778600              1.0000000        
S   1   1.00
      2.9236880              1.0000000        
S   1   1.00
      0.6504050              1.0000000        
S   1   1.00
      0.2328250              1.0000000        
P   5   1.00
    663.0620100              0.0030820        
    157.0928100              0.0241650        
     50.2311000              0.1082230        
     18.6353450              0.2941920        
      7.4465370              0.6878620        
P   2   1.00
      7.4465370             -0.1214482        
      3.0956980              0.1632370        
P   1   1.00
      1.1064630              1.0000000        
P   1   1.00
      0.4156010              1.0000000        
P   1   1.00
      0.1454490              1.0000000        
D   1   1.00
      0.8500000              1.0000000        
SP   1   1.00
      0.0600000              1.0000000              1.0000000        
****
K     0
S   6   1.00
 182594.0000000              0.000227747      
  27369.0000000              0.00176640       
   6229.1700000              0.00919497       
   1764.5800000              0.03745510       
    577.0510000              0.12204500       
    210.2490000              0.29899000       
S   2   1.00
     82.6178000              0.4051470        
     33.2332000              0.2925320        
S   1   1.00
      8.1064900              1.0000000        
S   1   1.00
      3.3340300              1.0000000        
S   1   1.00
      0.8455440              1.0000000        
S   1   1.00
      0.3282160              1.0000000        
S   1   1.00
      0.0364035              1.0000000        
S   1   1.00
      0.0176463              1.0000000        
P   3   1.00
    891.0540000              0.00218429       
    211.0160000              0.0175891        
     67.6714000              0.0817775        
P   3   1.00
     25.2715000              0.2456560        
     10.1390000              0.4339840        
      4.2018600              0.3623770        
P   1   1.00
      1.6250700              1.0000000        
P   1   1.00
      0.6437700              1.0000000        
P   1   1.00
      0.2461300              1.0000000        
P   1   1.00
      0.0454400              1.0000000        
P   1   1.00
      0.0161600              1.0000000        
D   3   1.00
     13.3700000              0.0316016        
      3.4210000              0.1568790        
      1.0630000              0.3905820        
D   1   1.00
      0.2290000              1.0000000        
SP   1   1.00
      0.0047000              1.0000000              1.0000000        
****
Ca     0
S   6   1.00
 202699.0000000              0.000222964      
  30382.5000000              0.00172932       
   6915.0800000              0.00900226       
   1959.0200000              0.0366699        
    640.9360000              0.1194100        
    233.9770000              0.2918250        
S   2   1.00
     92.2892000              0.4044150        
     37.2545000              0.2963130        
S   1   1.00
      9.1319800              1.0000000        
S   1   1.00
      3.8177900              1.0000000        
S   1   1.00
      1.0493500              1.0000000        
S   1   1.00
      0.4286600              1.0000000        
S   1   1.00
      0.0628226              1.0000000        
S   1   1.00
      0.0260162              1.0000000        
P   3   1.00
   1019.7600000              0.00205986       
    241.5960000              0.01665010       
     77.6370000              0.07776460       
P   3   1.00
     29.1154000              0.2418060        
     11.7626000              0.4325780        
      4.9228900              0.3673250        
P   1   1.00
      1.9064500              1.0000000        
P   1   1.00
      0.7369000              1.0000000        
P   1   1.00
      0.2764200              1.0000000        
P   1   1.00
      0.0602700              1.0000000        
P   1   1.00
      0.0179100              1.0000000        
D   3   1.00
     15.0800000              0.0368947        
      3.9260000              0.1778200        
      1.2330000              0.4255130        
D   1   1.00
      0.2600000              1.0000000        
SP   1   1.00
      0.0071000              1.0000000              1.0000000        
****