This file is indexed.

/usr/share/mpqc/basis/6-311gL2df_2pdR.kv is in libsc-data 2.3.1-18build1.

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
%BASIS "6-311G(2df,2pd)" CARTESIAN
basis:(
%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)
%Elements                             References
%--------                             ----------
%H-Ne: M.J. Frisch, J.A. Pople and J.S. Binkley, J. Chem. Phys. 80, 3265 (1984)
%
%
% BASIS SET: (5s) -> [3s]
 hydrogen: "6-311G(2df,2pd)": [
  (type: [am = s]
   {exp coef:0} = {
           33.865000000      0.02549380
            5.094790000      0.19037300
            1.158790000      0.85216100
   })
  (type: [am = s]
   {exp coef:0} = {
            0.325840000      1.00000000
   })
  (type: [am = s]
   {exp coef:0} = {
            0.102741000      1.00000000
   })
% AUGMENTING FUNCTIONS: (2p,1d)
  (type: [am = p]
   {exp coef:0} = {
           1.50000000      1.00000000
   })
  (type: [am = p]
   {exp coef:0} = {
           0.37500000      1.00000000
   })
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           1.00000000      1.00000000
   })
 ]
%
% BASIS SET: (5s) -> [3s]
 helium: "6-311G(2df,2pd)": [
  (type: [am = s]
   {exp coef:0} = {
           98.124300000      0.02874520
           14.768900000      0.20806100
            3.318830000      0.83763500
   })
  (type: [am = s]
   {exp coef:0} = {
            0.874047000      1.00000000
   })
  (type: [am = s]
   {exp coef:0} = {
            0.244564000      1.00000000
   })
% AUGMENTING FUNCTIONS: (2p,1d)
  (type: [am = p]
   {exp coef:0} = {
           1.50000000      1.00000000
   })
  (type: [am = p]
   {exp coef:0} = {
           0.37500000      1.00000000
   })
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           2.00000000      1.00000000
   })
 ]
%
% BASIS SET: (11s,5p) -> [4s,3p]
 lithium: "6-311G(2df,2pd)": [
  (type: [am = s]
   {exp coef:0} = {
          900.460000000      0.00228704
          134.433000000      0.01763500
           30.436500000      0.08734340
            8.626390000      0.28097700
            2.483320000      0.65874100
            0.303179000      0.11871200
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            4.868900000      0.09332930      0.03276610
            0.856924000      0.94304500      0.15979200
            0.243227000     -0.00279827      0.88566700
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            0.063507000      1.00000000      1.00000000
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            0.024368300      1.00000000      1.00000000
   })
% AUGMENTING FUNCTIONS: (2d,1f)
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           0.40000000      1.00000000
   })
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           0.10000000      1.00000000
   })
  (type: [(am = f puream = 1)]
   {exp coef:0} = {
           0.15000000      1.00000000
   })
 ]
%
% BASIS SET: (11s,5p) -> [4s,3p]
 beryllium: "6-311G(2df,2pd)": [
  (type: [am = s]
   {exp coef:0} = {
         1682.800000000      0.00228574
          251.715000000      0.01759380
           57.411600000      0.08633150
           16.517100000      0.28183500
            4.853640000      0.64059400
            0.626863000      0.14446700
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            8.309380000      0.10862100      0.03613440
            1.740750000      0.92730100      0.21695800
            0.485816000     -0.00297169      0.84183900
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            0.163613000      1.00000000      1.00000000
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            0.056728500      1.00000000      1.00000000
   })
% AUGMENTING FUNCTIONS: (2d,1f)
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           0.51000000      1.00000000
   })
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           0.12750000      1.00000000
   })
  (type: [(am = f puream = 1)]
   {exp coef:0} = {
           0.26000000      1.00000000
   })
 ]
%
% BASIS SET: (11s,5p) -> [4s,3p]
 boron: "6-311G(2df,2pd)": [
  (type: [am = s]
   {exp coef:0} = {
         2858.890000000      0.00215375
          428.140000000      0.01658230
           97.528200000      0.08218700
           27.969300000      0.27661800
            8.215770000      0.62931600
            1.112780000      0.17377000
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
           13.241500000      0.11744300      0.04181000
            3.001660000      0.91800200      0.23657500
            0.912856000     -0.00265105      0.81621400
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            0.315454000      1.00000000      1.00000000
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            0.098856300      1.00000000      1.00000000
   })
% AUGMENTING FUNCTIONS: (2d,1f)
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           0.80200000      1.00000000
   })
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           0.20050000      1.00000000
   })
  (type: [(am = f puream = 1)]
   {exp coef:0} = {
           0.50000000      1.00000000
   })
 ]
%
% BASIS SET: (11s,5p) -> [4s,3p]
 carbon: "6-311G(2df,2pd)": [
  (type: [am = s]
   {exp coef:0} = {
         4563.240000000      0.00196665
          682.024000000      0.01523060
          154.973000000      0.07612690
           44.455300000      0.26080100
           13.029000000      0.61646200
            1.827730000      0.22100600
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
           20.964200000      0.11466000      0.04024870
            4.803310000      0.91999900      0.23759400
            1.459330000     -0.00303068      0.81585400
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            0.483456000      1.00000000      1.00000000
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            0.145585000      1.00000000      1.00000000
   })
% AUGMENTING FUNCTIONS: (2d,1f)
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           1.25200000      1.00000000
   })
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           0.31300000      1.00000000
   })
  (type: [(am = f puream = 1)]
   {exp coef:0} = {
           0.80000000      1.00000000
   })
 ]
%
% BASIS SET: (11s,5p) -> [4s,3p]
 nitrogen: "6-311G(2df,2pd)": [
  (type: [am = s]
   {exp coef:0} = {
         6293.480000000      0.00196979
          949.044000000      0.01496130
          218.776000000      0.07350060
           63.691600000      0.24893700
           18.828200000      0.60246000
            2.720230000      0.25620200
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
           30.633100000      0.11190600      0.03831190
            7.026140000      0.92166600      0.23740300
            2.112050000     -0.00256919      0.81759200
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            0.684009000      1.00000000      1.00000000
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            0.200878000      1.00000000      1.00000000
   })
% AUGMENTING FUNCTIONS: (2d,1f)
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           1.82600000      1.00000000
   })
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           0.45650000      1.00000000
   })
  (type: [(am = f puream = 1)]
   {exp coef:0} = {
           1.00000000      1.00000000
   })
 ]
%
% BASIS SET: (11s,5p) -> [4s,3p]
 oxygen: "6-311G(2df,2pd)": [
  (type: [am = s]
   {exp coef:0} = {
         8588.500000000      0.00189515
         1297.230000000      0.01438590
          299.296000000      0.07073200
           87.377100000      0.24000100
           25.678900000      0.59479700
            3.740040000      0.28080200
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
           42.117500000      0.11388900      0.03651140
            9.628370000      0.92081100      0.23715300
            2.853320000     -0.00327447      0.81970200
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            0.905661000      1.00000000      1.00000000
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            0.255611000      1.00000000      1.00000000
   })
% AUGMENTING FUNCTIONS: (2d,1f)
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           2.58400000      1.00000000
   })
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           0.64600000      1.00000000
   })
  (type: [(am = f puream = 1)]
   {exp coef:0} = {
           1.40000000      1.00000000
   })
 ]
%
% BASIS SET: (11s,5p) -> [4s,3p]
 fluorine: "6-311G(2df,2pd)": [
  (type: [am = s]
   {exp coef:0} = {
        11427.100000000      0.00180093
         1722.350000000      0.01374190
          395.746000000      0.06813340
          115.139000000      0.23332500
           33.602600000      0.58908600
            4.919010000      0.29950500
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
           55.444100000      0.11453600      0.03546090
           12.632300000      0.92051200      0.23745100
            3.717560000     -0.00337804      0.82045800
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            1.165450000      1.00000000      1.00000000
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            0.321892000      1.00000000      1.00000000
   })
% AUGMENTING FUNCTIONS: (2d,1f)
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           2.39600000      1.00000000
   })
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           0.87500000      1.00000000
   })
  (type: [(am = f puream = 1)]
   {exp coef:0} = {
           1.85000000      1.00000000
   })
 ]
%
% BASIS SET: (11s,5p) -> [4s,3p]
 neon: "6-311G(2df,2pd)": [
  (type: [am = s]
   {exp coef:0} = {
        13995.700000000      0.00183276
         2117.100000000      0.01388270
          490.425000000      0.06806870
          143.833000000      0.23132800
           41.926500000      0.58589000
            6.156840000      0.30588300
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
           69.121100000      0.11914900      0.03565740
           15.835000000      0.91737500      0.23947700
            4.673260000     -0.00405839      0.81846100
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            1.457560000      1.00000000      1.00000000
   })
  (type: [am = p am = s]
   {exp coef:1 coef:0} = {
            0.397057000      1.00000000      1.00000000
   })
% AUGMENTING FUNCTIONS: (2d,1f)
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           4.60800000      1.00000000
   })
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           1.15200000      1.00000000
   })
  (type: [(am = f puream = 1)]
   {exp coef:0} = {
           2.50000000      1.00000000
   })
 ]
%
% BASIS SET: (14s,11p,3d) -> [8s,7p,1d]
 potassium: "6-311G(2df,2pd)": [
  (type: [am = s]
   {exp coef:0} = {
       182594.000000000      0.00022775
        27369.000000000      0.00176640
         6229.170000000      0.00919497
         1764.580000000      0.03745510
          577.051000000      0.12204500
          210.249000000      0.29899000
   })
  (type: [am = s]
   {exp coef:0} = {
           82.617800000      0.40514700
           33.233200000      0.29253200
   })
  (type: [am = s]
   {exp coef:0} = {
            8.106490000      1.00000000
   })
  (type: [am = s]
   {exp coef:0} = {
            3.334030000      1.00000000
   })
  (type: [am = s]
   {exp coef:0} = {
            0.845544000      1.00000000
   })
  (type: [am = s]
   {exp coef:0} = {
            0.328216000      1.00000000
   })
  (type: [am = s]
   {exp coef:0} = {
            0.036403500      1.00000000
   })
  (type: [am = s]
   {exp coef:0} = {
            0.017646300      1.00000000
   })
  (type: [am = p]
   {exp coef:0} = {
          891.054000000      0.00218429
          211.016000000      0.01758910
           67.671400000      0.08177750
   })
  (type: [am = p]
   {exp coef:0} = {
           25.271500000      0.24565600
           10.139000000      0.43398400
            4.201860000      0.36237700
   })
  (type: [am = p]
   {exp coef:0} = {
            1.625070000      1.00000000
   })
  (type: [am = p]
   {exp coef:0} = {
            0.643770000      1.00000000
   })
  (type: [am = p]
   {exp coef:0} = {
            0.246130000      1.00000000
   })
  (type: [am = p]
   {exp coef:0} = {
            0.045440000      1.00000000
   })
  (type: [am = p]
   {exp coef:0} = {
            0.016160000      1.00000000
   })
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           13.370000000      0.03160160
            3.421000000      0.15687900
            1.063000000      0.39058200
   })
% AUGMENTING FUNCTIONS: (1d)
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           0.45800000      1.00000000
   })
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           0.11450000      1.00000000
   })
  (type: [(am = f puream = 1)]
   {exp coef:0} = {
           1.11000000      1.00000000
   })
 ]
%
% BASIS SET: (14s,11p,3d) -> [8s,7p,1d]
 calcium: "6-311G(2df,2pd)": [
  (type: [am = s]
   {exp coef:0} = {
       202699.000000000      0.00022296
        30382.500000000      0.00172932
         6915.080000000      0.00900226
         1959.020000000      0.03666990
          640.936000000      0.11941000
          233.977000000      0.29182500
   })
  (type: [am = s]
   {exp coef:0} = {
           92.289200000      0.40441500
           37.254500000      0.29631300
   })
  (type: [am = s]
   {exp coef:0} = {
            9.131980000      1.00000000
   })
  (type: [am = s]
   {exp coef:0} = {
            3.817790000      1.00000000
   })
  (type: [am = s]
   {exp coef:0} = {
            1.049350000      1.00000000
   })
  (type: [am = s]
   {exp coef:0} = {
            0.428660000      1.00000000
   })
  (type: [am = s]
   {exp coef:0} = {
            0.062822600      1.00000000
   })
  (type: [am = s]
   {exp coef:0} = {
            0.026016200      1.00000000
   })
  (type: [am = p]
   {exp coef:0} = {
         1019.760000000      0.00205986
          241.596000000      0.01665010
           77.637000000      0.07776460
   })
  (type: [am = p]
   {exp coef:0} = {
           29.115400000      0.24180600
           11.762600000      0.43257800
            4.922890000      0.36732500
   })
  (type: [am = p]
   {exp coef:0} = {
            1.906450000      1.00000000
   })
  (type: [am = p]
   {exp coef:0} = {
            0.736900000      1.00000000
   })
  (type: [am = p]
   {exp coef:0} = {
            0.276420000      1.00000000
   })
  (type: [am = p]
   {exp coef:0} = {
            0.060270000      1.00000000
   })
  (type: [am = p]
   {exp coef:0} = {
            0.017910000      1.00000000
   })
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           15.080000000      0.03689470
            3.926000000      0.17782000
            1.233000000      0.42551300
   })
% AUGMENTING FUNCTIONS: (1d)
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           0.52000000      1.00000000
   })
  (type: [(am = d puream = 1)]
   {exp coef:0} = {
           0.13000000      1.00000000
   })
  (type: [(am = f puream = 1)]
   {exp coef:0} = {
           1.33000000      1.00000000
   })
 ]
)