/
jun-cc-pv6z.gbs
1500 lines (1495 loc) · 52.1 KB
/
jun-cc-pv6z.gbs
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
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
spherical
!
! cc-pV6Z EMSL Basis Set Exchange Library 8/12/10 2:32 AM
! Elements References
! -------- ----------
! H: K.A. Peterson, D.E. Woon and T. H. Dunning, Jr., (to be published).
! B - Ne: A. K. Wilson, T. v. Mourik and T. H. Dunning, Jr., J. Mol. Struct.
! (THEOCHEM) 388, 339 (1997).
! S: J.G. Hill, S. Mazumder, and K.A. Peterson, Correlation consistent basis sets
! for molecular core-valence effects with explicitly correlated wave functions:
! the atoms B-Ne and Al-Ar, Journal of Chemical Physics 132, 054108 (2010).
!
!
! aug-cc-pV6Z Diffuse EMSL Basis Set Exchange Library 8/19/10 12:11 PM
! Elements References
! -------- ---------
! H : K.A. Peterson, D.E. Woon (unpublished)
! B - O: A.K. Wilson, T. van Mourik and T.H. Dunning, Jr. J. Mol. Struct.
! (THEOCHEM) 388, 339 (1997).
! Cl:
!
!
! merged from cc-pv6z.gbs and hold-diffuse-jun-cc-pv6z.gbs at Sun, 02:40 Aug 14, 2011
!
****
H 0
S 5 1.00
1776.7755600 0.0000440
254.0177120 0.0003720
54.6980390 0.0020940
15.0183440 0.0088630
4.91507800 0.0305400
S 1 1.00
1.79492400 1.0000000
S 1 1.00
0.71071600 1.0000000
S 1 1.00
0.30480200 1.0000000
S 1 1.00
0.13804600 1.0000000
S 1 1.00
0.06215700 1.0000000
P 1 1.00
8.6490000 1.0000000
P 1 1.00
3.4300000 1.0000000
P 1 1.00
1.3600000 1.0000000
P 1 1.00
0.5390000 1.0000000
P 1 1.00
0.2140000 1.0000000
D 1 1.00
4.4530000 1.0000000
D 1 1.00
1.9580000 1.0000000
D 1 1.00
0.8610000 1.0000000
D 1 1.00
0.3780000 1.0000000
F 1 1.00
4.1000000 1.0000000
F 1 1.00
1.7800000 1.0000000
F 1 1.00
0.7730000 1.0000000
G 1 1.00
3.1990000 1.0000000
G 1 1.00
1.3260000 1.0000000
H 1 1.00
2.6530000 1.0000000
****
He 0
S 5 1.00
4785.0000000 0.0000006
717.0000000 0.0000047
163.2000000 0.0000244
46.2600000 0.0001012
15.1000000 0.0003486
S 1 1.00
5.4370000 1.0000000
S 1 1.00
2.0880000 1.0000000
S 1 1.00
0.8297000 1.0000000
S 1 1.00
0.3366000 1.0000000
S 1 1.00
0.1369000 1.0000000
P 1 1.00
0.3870000 1.0000000
P 1 1.00
0.9840000 1.0000000
P 1 1.00
2.4980000 1.0000000
P 1 1.00
6.3420000 1.0000000
P 1 1.00
16.1040000 1.0000000
D 1 1.00
0.7470000 1.0000000
D 1 1.00
1.9100000 1.0000000
D 1 1.00
4.8860000 1.0000000
D 1 1.00
12.4980000 1.0000000
F 1 1.00
1.2920000 1.0000000
F 1 1.00
3.4620000 1.0000000
F 1 1.00
9.2760000 1.0000000
G 1 1.00
2.2360000 1.0000000
G 1 1.00
6.5860000 1.0000000
H 1 1.00
4.1590000 1.0000000
****
B 0
S 11 1.00
210400.0000000 0.00000583
31500.0000000 0.00004532
7169.0000000 0.00023838
2030.0000000 0.00100570
662.5000000 0.00364496
239.2000000 0.01173628
93.2600000 0.03380702
38.6400000 0.08556593
16.7800000 0.18260322
7.5410000 0.30583760
3.4820000 0.34080347
S 11 1.00
210400.0000000 -0.00000118
31500.0000000 -0.00000915
7169.0000000 -0.00004819
2030.0000000 -0.00020306
662.5000000 -0.00073917
239.2000000 -0.00238603
93.2600000 -0.00698654
38.6400000 -0.01811594
16.7800000 -0.04123129
7.5410000 -0.07781353
3.4820000 -0.12123181
S 1 1.00
1.6180000 1.0000000
S 1 1.00
0.6270000 1.0000000
S 1 1.00
0.2934000 1.0000000
S 1 1.00
0.1310000 1.0000000
S 1 1.00
0.0581500 1.0000000
P 5 1.00
192.5000000 0.00013490
45.6400000 0.00114741
14.7500000 0.00584793
5.5030000 0.02117091
2.2220000 0.06266872
P 1 1.00
0.9590000 1.0000000
P 1 1.00
0.4314000 1.0000000
P 1 1.00
0.1969000 1.0000000
P 1 1.00
0.0903300 1.0000000
P 1 1.00
0.0406600 1.0000000
D 1 1.00
2.8860000 1.0000000
D 1 1.00
1.2670000 1.0000000
D 1 1.00
0.5560000 1.0000000
D 1 1.00
0.2440000 1.0000000
D 1 1.00
0.1070000 1.0000000
F 1 1.00
1.6510000 1.0000000
F 1 1.00
0.8002000 1.0000000
F 1 1.00
0.3878000 1.0000000
F 1 1.00
0.1880000 1.0000000
G 1 1.00
1.6469000 1.0000000
G 1 1.00
0.7889000 1.0000000
G 1 1.00
0.3779000 1.0000000
H 1 1.00
1.3120000 1.0000000
H 1 1.00
0.5806000 1.0000000
I 1 1.00
0.9847000 1.0000000
S 1 1.00
0.0230000 1.0000000
P 1 1.00
0.0136500 1.0000000
D 1 1.00
0.0392000 1.0000000
F 1 1.00
0.0733000 1.0000000
G 1 1.00
0.1620000 1.0000000
H 1 1.00
0.2880000 1.0000000
****
C 0
S 11 1.00
312100.0000000 0.00000567
46740.0000000 0.00004410
10640.0000000 0.00023190
3013.0000000 0.00097897
982.8000000 0.00355163
354.8000000 0.01144061
138.4000000 0.03299855
57.3500000 0.08405347
24.9200000 0.18067613
11.2300000 0.30491140
5.2010000 0.34141570
S 11 1.00
312100.0000000 -0.00000121
46740.0000000 -0.00000939
10640.0000000 -0.00004947
3013.0000000 -0.00020857
982.8000000 -0.00076015
354.8000000 -0.00245469
138.4000000 -0.00720153
57.3500000 -0.01880742
24.9200000 -0.04325001
11.2300000 -0.08259733
5.2010000 -0.12857592
S 1 1.00
2.4260000 1.0000000
S 1 1.00
0.9673000 1.0000000
S 1 1.00
0.4456000 1.0000000
S 1 1.00
0.1971000 1.0000000
S 1 1.00
0.0863500 1.0000000
P 5 1.00
295.2000000 0.00014249
69.9800000 0.00122010
22.6400000 0.00633696
8.4850000 0.02351875
3.4590000 0.06990447
P 1 1.00
1.5040000 1.0000000
P 1 1.00
0.6783000 1.0000000
P 1 1.00
0.3087000 1.0000000
P 1 1.00
0.1400000 1.0000000
P 1 1.00
0.0617800 1.0000000
D 1 1.00
4.5420000 1.0000000
D 1 1.00
1.9790000 1.0000000
D 1 1.00
0.8621000 1.0000000
D 1 1.00
0.3756000 1.0000000
D 1 1.00
0.1636000 1.0000000
F 1 1.00
2.6310000 1.0000000
F 1 1.00
1.2550000 1.0000000
F 1 1.00
0.5988000 1.0000000
F 1 1.00
0.2857000 1.0000000
G 1 1.00
2.6520000 1.0000000
G 1 1.00
1.2040000 1.0000000
G 1 1.00
0.5470000 1.0000000
H 1 1.00
2.0300000 1.0000000
H 1 1.00
0.8511000 1.0000000
I 1 1.00
1.4910000 1.0000000
S 1 1.00
0.0354000 1.0000000
P 1 1.00
0.0237600 1.0000000
D 1 1.00
0.0636000 1.0000000
F 1 1.00
0.1180000 1.0000000
G 1 1.00
0.2540000 1.0000000
H 1 1.00
0.4510000 1.0000000
****
N 0
S 11 1.00
432300.0000000 0.00000559
64700.0000000 0.00004351
14720.0000000 0.00022893
4170.0000000 0.00096502
1361.0000000 0.00350219
491.2000000 0.01129212
191.6000000 0.03261283
79.4100000 0.08329727
34.5300000 0.17998566
15.5800000 0.30500351
7.2320000 0.34115932
S 11 1.00
432300.0000000 -0.00000123
64700.0000000 -0.00000958
14720.0000000 -0.00005051
4170.0000000 -0.00021264
1361.0000000 -0.00077534
491.2000000 -0.00250624
191.6000000 -0.00736529
79.4100000 -0.01930167
34.5300000 -0.04471738
15.5800000 -0.08606647
7.2320000 -0.13329627
S 1 1.00
3.3820000 1.0000000
S 1 1.00
1.3690000 1.0000000
S 1 1.00
0.6248000 1.0000000
S 1 1.00
0.2747000 1.0000000
S 1 1.00
0.1192000 1.0000000
P 5 1.00
415.9000000 0.00014841
98.6100000 0.00127634
31.9200000 0.00670242
12.0000000 0.02526170
4.9190000 0.07518943
P 1 1.00
2.1480000 1.0000000
P 1 1.00
0.9696000 1.0000000
P 1 1.00
0.4399000 1.0000000
P 1 1.00
0.1978000 1.0000000
P 1 1.00
0.0860300 1.0000000
D 1 1.00
6.7170000 1.0000000
D 1 1.00
2.8960000 1.0000000
D 1 1.00
1.2490000 1.0000000
D 1 1.00
0.5380000 1.0000000
D 1 1.00
0.2320000 1.0000000
F 1 1.00
3.8290000 1.0000000
F 1 1.00
1.7950000 1.0000000
F 1 1.00
0.8410000 1.0000000
F 1 1.00
0.3940000 1.0000000
G 1 1.00
3.8560000 1.0000000
G 1 1.00
1.7020000 1.0000000
G 1 1.00
0.7510000 1.0000000
H 1 1.00
2.8750000 1.0000000
H 1 1.00
1.1700000 1.0000000
I 1 1.00
2.0990000 1.0000000
S 1 1.00
0.0471400 1.0000000
P 1 1.00
0.0315000 1.0000000
D 1 1.00
0.0874000 1.0000000
F 1 1.00
0.1510000 1.0000000
G 1 1.00
0.3260000 1.0000000
H 1 1.00
0.5870000 1.0000000
****
O 0
S 11 1.00
570800.0000000 0.00000555
85480.0000000 0.00004311
19460.0000000 0.00022667
5512.0000000 0.00095637
1798.0000000 0.00347320
648.9000000 0.01119778
253.1000000 0.03238766
104.9000000 0.08285977
45.6500000 0.17958381
20.6200000 0.30522110
9.5870000 0.34089349
S 11 1.00
570800.0000000 -0.00000126
85480.0000000 -0.00000977
19460.0000000 -0.00005148
5512.0000000 -0.00021696
1798.0000000 -0.00079162
648.9000000 -0.00255900
253.1000000 -0.00753313
104.9000000 -0.01978897
45.6500000 -0.04606288
20.6200000 -0.08919560
9.5870000 -0.13754216
S 1 1.00
4.4930000 1.0000000
S 1 1.00
1.8370000 1.0000000
S 1 1.00
0.8349000 1.0000000
S 1 1.00
0.3658000 1.0000000
S 1 1.00
0.1570000 1.0000000
P 5 1.00
525.6000000 0.00016664
124.6000000 0.00143336
40.3400000 0.00754762
15.1800000 0.02859456
6.2450000 0.08438858
P 1 1.00
2.7320000 1.0000000
P 1 1.00
1.2270000 1.0000000
P 1 1.00
0.5492000 1.0000000
P 1 1.00
0.2418000 1.0000000
P 1 1.00
0.1025000 1.0000000
D 1 1.00
8.2530000 1.0000000
D 1 1.00
3.5970000 1.0000000
D 1 1.00
1.5680000 1.0000000
D 1 1.00
0.6840000 1.0000000
D 1 1.00
0.2980000 1.0000000
F 1 1.00
5.4300000 1.0000000
F 1 1.00
2.4160000 1.0000000
F 1 1.00
1.0750000 1.0000000
F 1 1.00
0.4780000 1.0000000
G 1 1.00
5.2110000 1.0000000
G 1 1.00
2.1900000 1.0000000
G 1 1.00
0.9200000 1.0000000
H 1 1.00
3.8720000 1.0000000
H 1 1.00
1.5050000 1.0000000
I 1 1.00
2.7730000 1.0000000
S 1 1.00
0.0593500 1.0000000
P 1 1.00
0.0338000 1.0000000
D 1 1.00
0.1150000 1.0000000
F 1 1.00
0.1950000 1.0000000
G 1 1.00
0.4060000 1.0000000
H 1 1.00
0.7480000 1.0000000
****
F 0
S 11 1.00
723500.0000000 0.00000556
108400.0000000 0.00004318
24680.0000000 0.00022700
6990.0000000 0.00095803
2282.0000000 0.00347015
824.6000000 0.01118526
321.8000000 0.03232880
133.5000000 0.08279545
58.1100000 0.17988024
26.2800000 0.30557831
12.2400000 0.34026839
S 11 1.00
723500.0000000 -0.00000129
108400.0000000 -0.00000999
24680.0000000 -0.00005260
6990.0000000 -0.00022172
2282.0000000 -0.00080692
824.6000000 -0.00260817
321.8000000 -0.00767402
133.5000000 -0.02019353
58.1100000 -0.04718752
26.2800000 -0.09158009
12.2400000 -0.14048558
S 1 1.00
5.7470000 1.0000000
S 1 1.00
2.3650000 1.0000000
S 1 1.00
1.0710000 1.0000000
S 1 1.00
0.4681000 1.0000000
S 1 1.00
0.1994000 1.0000000
P 5 1.00
660.0000000 0.00017721
156.4000000 0.00152691
50.6400000 0.00807207
19.0800000 0.03074021
7.8720000 0.09011914
P 1 1.00
3.4490000 1.0000000
P 1 1.00
1.5450000 1.0000000
P 1 1.00
0.6864000 1.0000000
P 1 1.00
0.2986000 1.0000000
P 1 1.00
0.1245000 1.0000000
D 1 1.00
10.5730000 1.0000000
D 1 1.00
4.6130000 1.0000000
D 1 1.00
2.0130000 1.0000000
D 1 1.00
0.8780000 1.0000000
D 1 1.00
0.3830000 1.0000000
F 1 1.00
7.5630000 1.0000000
F 1 1.00
3.3300000 1.0000000
F 1 1.00
1.4660000 1.0000000
F 1 1.00
0.6450000 1.0000000
G 1 1.00
6.7350000 1.0000000
G 1 1.00
2.7830000 1.0000000
G 1 1.00
1.1500000 1.0000000
H 1 1.00
5.0880000 1.0000000
H 1 1.00
1.9370000 1.0000000
I 1 1.00
3.5810000 1.0000000
S 1 1.00
0.0731500 1.0000000
P 1 1.00
0.0476000 1.0000000
D 1 1.00
0.1510000 1.0000000
F 1 1.00
0.2720000 1.0000000
G 1 1.00
0.5200000 1.0000000
H 1 1.00
0.9850000 1.0000000
****
Ne 0
S 11 1.00
902400.0000000 0.00000551
135100.0000000 0.00004282
30750.0000000 0.00022514
8710.0000000 0.00095016
2842.0000000 0.00344719
1026.0000000 0.01112545
400.1000000 0.03220568
165.9000000 0.08259891
72.2100000 0.17990564
32.6600000 0.30605208
15.2200000 0.34012559
S 11 1.00
902400.0000000 -0.00000129
135100.0000000 -0.00001005
30750.0000000 -0.00005293
8710.0000000 -0.00022312
2842.0000000 -0.00081338
1026.0000000 -0.00263230
400.1000000 -0.00775910
165.9000000 -0.02045277
72.2100000 -0.04797505
32.6600000 -0.09340086
15.2200000 -0.14277215
S 1 1.00
7.1490000 1.0000000
S 1 1.00
2.9570000 1.0000000
S 1 1.00
1.3350000 1.0000000
S 1 1.00
0.5816000 1.0000000
S 1 1.00
0.2463000 1.0000000
P 5 1.00
815.6000000 0.00018376
193.3000000 0.00158509
62.6000000 0.00841464
23.6100000 0.03220033
9.7620000 0.09396390
P 1 1.00
4.2810000 1.0000000
P 1 1.00
1.9150000 1.0000000
P 1 1.00
0.8476000 1.0000000
P 1 1.00
0.3660000 1.0000000
P 1 1.00
0.1510000 1.0000000
D 1 1.00
13.3170000 1.0000000
D 1 1.00
5.8030000 1.0000000
D 1 1.00
2.5290000 1.0000000
D 1 1.00
1.1020000 1.0000000
D 1 1.00
0.4800000 1.0000000
F 1 1.00
10.3560000 1.0000000
F 1 1.00
4.5380000 1.0000000
F 1 1.00
1.9890000 1.0000000
F 1 1.00
0.8710000 1.0000000
G 1 1.00
8.3450000 1.0000000
G 1 1.00
3.4170000 1.0000000
G 1 1.00
1.3990000 1.0000000
H 1 1.00
6.5190000 1.0000000
H 1 1.00
2.4470000 1.0000000
I 1 1.00
4.4890000 1.0000000
S 1 1.00
0.0869000 1.0000000
P 1 1.00
0.0566000 1.0000000
D 1 1.00
0.1870000 1.0000000
F 1 1.00
0.3492000 1.0000000
G 1 1.00
0.6345000 1.0000000
H 1 1.00
1.2093000 1.0000000
****
Al 0
S 16 1.00
3652000.0000000 0.0000019
546800.0000000 0.0000145
124500.0000000 0.0000762
35440.0000000 0.0003158
11840.0000000 0.0010974
4434.0000000 0.0033697
1812.0000000 0.0093222
791.5000000 0.0237992
361.0000000 0.0568191
169.5000000 0.1224680
81.6800000 0.2238970
40.2800000 0.3134460
20.2500000 0.2749750
10.2300000 0.1105640
4.8020000 0.0119215
2.3390000 0.0006528
S 16 1.00
3652000.0000000 -0.0000005
546800.0000000 -0.0000038
124500.0000000 -0.0000198
35440.0000000 -0.0000821
11840.0000000 -0.0002858
4434.0000000 -0.0008785
1812.0000000 -0.0024482
791.5000000 -0.0063100
361.0000000 -0.0154854
169.5000000 -0.0349589
81.6800000 -0.0707729
40.2800000 -0.1194230
20.2500000 -0.1488420
10.2300000 -0.0590465
4.8020000 0.2166930
2.3390000 0.4765570
S 16 1.00
3652000.0000000 0.0000001
546800.0000000 0.0000009
124500.0000000 0.0000046
35440.0000000 0.0000190
11840.0000000 0.0000659
4434.0000000 0.0002031
1812.0000000 0.0005647
791.5000000 0.0014620
361.0000000 0.0035794
169.5000000 0.0081516
81.6800000 0.0165276
40.2800000 0.0285467
20.2500000 0.0361484
10.2300000 0.0153804
4.8020000 -0.0612141
2.3390000 -0.1512630
S 1 1.00
1.1630000 1.0000000
S 1 1.00
0.5882000 1.0000000
S 1 1.00
0.2311000 1.0000000
S 1 1.00
0.1027000 1.0000000
S 1 1.00
0.0452100 1.0000000
P 9 1.00
2884.0000000 0.0000638
683.2000000 0.0005631
222.0000000 0.0031691
84.8200000 0.0132401
35.8100000 0.0433403
16.2200000 0.1119500
7.7020000 0.2177960
3.7410000 0.3116750
1.8310000 0.3167220
P 9 1.00
2884.0000000 -0.0000080
683.2000000 -0.0000651
222.0000000 -0.0003999
84.8200000 -0.0015369
35.8100000 -0.0055644
16.2200000 -0.0131106
7.7020000 -0.0297200
3.7410000 -0.0347195
1.8310000 -0.0551621
P 1 1.00
0.8878000 1.0000000
P 1 1.00
0.3989000 1.0000000
P 1 1.00
0.1718000 1.0000000
P 1 1.00
0.0729800 1.0000000
P 1 1.00
0.0306900 1.0000000
D 1 1.00
2.2143000 1.0000000
D 1 1.00
0.9449000 1.0000000
D 1 1.00
0.4032000 1.0000000
D 1 1.00
0.1721000 1.0000000
D 1 1.00
0.0734300 1.0000000
F 1 1.00
0.8756000 1.0000000
F 1 1.00
0.4472000 1.0000000
F 1 1.00
0.2284000 1.0000000
F 1 1.00
0.1167000 1.0000000
G 1 1.00
0.6952000 1.0000000
G 1 1.00
0.3771000 1.0000000
G 1 1.00
0.2046000 1.0000000
H 1 1.00
0.6560000 1.0000000
H 1 1.00
0.3300000 1.0000000
I 1 1.00
0.5302000 1.0000000
S 1 1.00
0.0173700 1.0000000
P 1 1.00
0.0102100 1.0000000
D 1 1.00
0.0266600 1.0000000
F 1 1.00
0.0462500 1.0000000
G 1 1.00
0.0854500 1.0000000
H 1 1.00
0.1655000 1.0000000
****
Si 0
S 16 1.00
4465000.0000000 0.0000017
668500.0000000 0.0000136
152200.0000000 0.0000714
43300.0000000 0.0002973
14410.0000000 0.0010383
5394.0000000 0.0031747
2212.0000000 0.0087324
968.1000000 0.0223830
441.2000000 0.0537273
207.1000000 0.1166490
99.8000000 0.2159780
49.2400000 0.3095660
24.7400000 0.2839450
12.4700000 0.1222320
5.7950000 0.0141952
2.8300000 0.0003121
S 16 1.00
4465000.0000000 -0.0000005
668500.0000000 -0.0000036
152200.0000000 -0.0000190
43300.0000000 -0.0000791
14410.0000000 -0.0002769
5394.0000000 -0.0008472
2212.0000000 -0.0023478
968.1000000 -0.0060705
441.2000000 -0.0149711
207.1000000 -0.0339729
99.8000000 -0.0694584
49.2400000 -0.1190010
24.7400000 -0.1536450
12.4700000 -0.0704684
5.7950000 0.2131490
2.8300000 0.4915960
S 16 1.00
4465000.0000000 0.0000001
668500.0000000 0.0000009
152200.0000000 0.0000049
43300.0000000 0.0000203
14410.0000000 0.0000709
5394.0000000 0.0002172
2212.0000000 0.0006013
968.1000000 0.0015591
441.2000000 0.0038443
207.1000000 0.0087797
99.8000000 0.0180388
49.2400000 0.0315224
24.7400000 0.0416905
12.4700000 0.0200973
5.7950000 -0.0667484
2.8300000 -0.1819060
S 1 1.00
1.4070000 1.0000000
S 1 1.00
0.6995000 1.0000000
S 1 1.00
0.3083000 1.0000000
S 1 1.00
0.1385000 1.0000000
S 1 1.00
0.0614500 1.0000000
P 9 1.00
3572.0000000 0.0000599
846.0000000 0.0005296
274.8000000 0.0029958
105.0000000 0.0126335
44.3500000 0.0419044
20.0800000 0.1102590
9.5300000 0.2188310
4.6340000 0.3178280
2.2800000 0.3194250
P 9 1.00
3572.0000000 -0.0000128
846.0000000 -0.0001126
274.8000000 -0.0006402
105.0000000 -0.0027029
44.3500000 -0.0090789
20.0800000 -0.0242348
9.5300000 -0.0493460
4.6340000 -0.0725859
2.2800000 -0.0804258
P 1 1.00
1.1160000 1.0000000
P 1 1.00
0.4991000 1.0000000
P 1 1.00
0.2254000 1.0000000
P 1 1.00
0.1001000 1.0000000
P 1 1.00
0.0433200 1.0000000
D 1 1.00
3.2386000 1.0000000
D 1 1.00
1.3767000 1.0000000
D 1 1.00
0.5853000 1.0000000
D 1 1.00
0.2488000 1.0000000
D 1 1.00
0.1058000 1.0000000
F 1 1.00
1.3510000 1.0000000
F 1 1.00
0.6600000 1.0000000
F 1 1.00
0.3225000 1.0000000
F 1 1.00
0.1575000 1.0000000
G 1 1.00
0.8528000 1.0000000
G 1 1.00
0.4631000 1.0000000
G 1 1.00
0.2515000 1.0000000
H 1 1.00
0.8557000 1.0000000
H 1 1.00
0.4231000 1.0000000
I 1 1.00
0.6946000 1.0000000
S 1 1.00
0.0253900 1.0000000
P 1 1.00
0.0169400 1.0000000
D 1 1.00
0.0413900 1.0000000
F 1 1.00
0.0688400 1.0000000
G 1 1.00
0.1164000 1.0000000
H 1 1.00
0.2351000 1.0000000
****
P 0
S 16 1.00
5384000.0000000 0.0000016
806200.0000000 0.0000128
183600.0000000 0.0000672
52250.0000000 0.0002797
17390.0000000 0.0009767
6523.0000000 0.0029684
2687.0000000 0.0081240
1178.0000000 0.0209200
536.2000000 0.0505590
251.5000000 0.1104790
121.3000000 0.2069570
59.8800000 0.3047370
30.0500000 0.2929520
15.1200000 0.1355610
7.0100000 0.0173208
3.4410000 -0.0000352
S 16 1.00
5384000.0000000 -0.0000004
806200.0000000 -0.0000035
183600.0000000 -0.0000183
52250.0000000 -0.0000759
17390.0000000 -0.0002657
6523.0000000 -0.0008080
2687.0000000 -0.0022273
1178.0000000 -0.0057833
536.2000000 -0.0143438
251.5000000 -0.0327061
121.3000000 -0.0673716
59.8800000 -0.1176470
30.0500000 -0.1572800
15.1200000 -0.0838544
7.0100000 0.1997180
3.4410000 0.4986050
S 16 1.00
5384000.0000000 0.0000001
806200.0000000 0.0000010
183600.0000000 0.0000050
52250.0000000 0.0000209
17390.0000000 0.0000730