/usr/share/psi/basis/cc-pcvqz-dk.gbs is in psi4-data 1:0.3-5.
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!
! cc-pVQZ-DK EMSL Basis Set Exchange Library 5/15/11 5:48 PM
! Original basis sets:
! 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).
! B - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
! Al - Ar: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
! Ga - Kr: A.K. Wilson, D.E. Woon, K.A. Peterson, T.H. Dunning, Jr.,
! J. Chem. Phys., 110, 7667 (1999).
! Original exponents recontracted: W.A. de Jong, R.J. Harrison and D.A. Dixon,
! J. Chem. Phys. 114, 48 (2001).
! Sc - Zn: (20s,16p,8d,2f,1g) -> [7s,6p,4d,2f,1g] N.B. Balabanov and K.A.
! Peterson, J. Chem. Phys.,
! 123, 064107 (2005)
!
!
! Core/valence Functions (cc-pCVQZ) EMSL Basis Set Exchange Library 8/19/10 1:48 PM
! 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
! 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 : J. Koput and K.A. Peterson, J. Phys. Chem. A, 106, 9595 (2002).
!
!
!
! H He
! blank entries added
!
!
! merged from corevalence-cc-pcvqz.gbs and basis-blankHHe.gbs at Wed, 04:21 May 18, 2011
!
!
! merged from cc-pvqz-dk.gbs and corevalence-cc-pcvqz_autogen.gbs at Wed, 04:22 May 18, 2011
!
****
H 0
S 3 1.00
82.6400000 0.0020131
12.4100000 0.0153499
2.8240000 0.0755920
S 1 1.00
0.7977000 1.0000000
S 1 1.00
0.2581000 1.0000000
S 1 1.00
0.0898900 1.0000000
P 1 1.00
2.2920000 1.0000000
P 1 1.00
0.8380000 1.0000000
P 1 1.00
0.2920000 1.0000000
D 1 1.00
2.0620000 1.0000000
D 1 1.00
0.6620000 1.0000000
F 1 1.00
1.3970000 1.0000000
****
He 0
S 4 1.00
528.5000000 0.0009592
79.3100000 0.0072329
18.0500000 0.0360060
5.0850000 0.1278065
S 1 1.00
1.6090000 1.0000000
S 1 1.00
0.5363000 1.0000000
S 1 1.00
0.1833000 1.0000000
P 1 1.00
5.9940000 1.0000000
P 1 1.00
1.7450000 1.0000000
P 1 1.00
0.5600000 1.0000000
D 1 1.00
4.2990000 1.0000000
D 1 1.00
1.2230000 1.0000000
F 1 1.00
2.6800000 1.0000000
****
Li 0
S 9 1.00
6601.0000000 0.0001428
989.7000000 0.0009372
225.7000000 0.0047683
64.2900000 0.0192504
21.1800000 0.0631135
7.7240000 0.1632570
3.0030000 0.3148261
1.2120000 0.3938785
0.4930000 0.1968621
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225.7000000 -0.0007479
64.2900000 -0.0030295
21.1800000 -0.0101354
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3.0030000 -0.0573626
1.2120000 -0.0939079
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S 1 1.00
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1.3700000 0.0193161
0.3672000 0.0791011
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P 1 1.00
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P 1 1.00
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S 1 1.00
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S 1 1.00
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S 1 1.00
0.6160000 1.0000000
P 1 1.00
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P 1 1.00
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P 1 1.00
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D 1 1.00
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D 1 1.00
3.0660000 1.0000000
F 1 1.00
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****
Be 0
S 9 1.00
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2191.0000000 0.0007604
498.2000000 0.0038026
140.9000000 0.0155612
45.8600000 0.0529953
16.4700000 0.1458045
6.3190000 0.3027037
2.5350000 0.4048329
1.0350000 0.2222552
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3.1680000 0.0256337
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P 1 1.00
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D 1 1.00
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F 1 1.00
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F 1 1.00
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G 1 1.00
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S 1 1.00
21.7260000 1.0000000
S 1 1.00
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S 1 1.00
2.8480000 1.0000000
P 1 1.00
30.8980000 1.0000000
P 1 1.00
10.3650000 1.0000000
P 1 1.00
3.4770000 1.0000000
D 1 1.00
30.3900000 1.0000000
D 1 1.00
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F 1 1.00
12.4820000 1.0000000
****
B 0
S 9 1.00
23870.0000000 0.0001428
3575.0000000 0.0007616
812.8000000 0.0037058
229.7000000 0.0150963
74.6900000 0.0516294
26.8100000 0.1434860
10.3200000 0.3009872
4.1780000 0.4033443
1.7270000 0.2251446
S 9 1.00
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3575.0000000 -0.0001545
812.8000000 -0.0007473
229.7000000 -0.0030957
74.6900000 -0.0106287
26.8100000 -0.0314278
10.3200000 -0.0710579
4.1780000 -0.1321386
1.7270000 -0.1228547
S 1 1.00
0.4704000 1.0000000
S 1 1.00
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S 1 1.00
0.0739400 1.0000000
P 3 1.00
22.2600000 0.0051124
5.0580000 0.0332200
1.4870000 0.1323136
P 1 1.00
0.5071000 1.0000000
P 1 1.00
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P 1 1.00
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D 1 1.00
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D 1 1.00
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D 1 1.00
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F 1 1.00
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F 1 1.00
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G 1 1.00
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S 1 1.00
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S 1 1.00
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S 1 1.00
36.3040000 1.0000000
P 1 1.00
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P 1 1.00
16.3020000 1.0000000
P 1 1.00
48.4180000 1.0000000
D 1 1.00
6.6400000 1.0000000
D 1 1.00
24.4620000 1.0000000
F 1 1.00
18.7940000 1.0000000
****
C 0
S 9 1.00
33980.0000000 0.0001631
5089.0000000 0.0008131
1157.0000000 0.0038480
326.6000000 0.0155770
106.1000000 0.0532169
38.1100000 0.1473186
14.7500000 0.3057064
6.0350000 0.3990689
2.5300000 0.2167636
S 9 1.00
33980.0000000 -0.0000347
5089.0000000 -0.0001740
1157.0000000 -0.0008193
326.6000000 -0.0033743
106.1000000 -0.0115871
38.1100000 -0.0342621
14.7500000 -0.0772516
6.0350000 -0.1415421
2.5300000 -0.1176683
S 1 1.00
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S 1 1.00
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S 1 1.00
0.1111000 1.0000000
P 3 1.00
34.5100000 0.0054084
7.9150000 0.0361681
2.3680000 0.1425195
P 1 1.00
0.8132000 1.0000000
P 1 1.00
0.2890000 1.0000000
P 1 1.00
0.1007000 1.0000000
D 1 1.00
1.8480000 1.0000000
D 1 1.00
0.6490000 1.0000000
D 1 1.00
0.2280000 1.0000000
F 1 1.00
1.4190000 1.0000000
F 1 1.00
0.4850000 1.0000000
G 1 1.00
1.0110000 1.0000000
S 1 1.00
7.2160000 1.0000000
S 1 1.00
19.5700000 1.0000000
S 1 1.00
53.0730000 1.0000000
P 1 1.00
8.1820000 1.0000000
P 1 1.00
24.1860000 1.0000000
P 1 1.00
71.4940000 1.0000000
D 1 1.00
8.6560000 1.0000000
D 1 1.00
33.2130000 1.0000000
F 1 1.00
24.6940000 1.0000000
****
N 0
S 9 1.00
45840.0000000 0.0001837
6868.0000000 0.0008652
1563.0000000 0.0039619
442.4000000 0.0158295
144.3000000 0.0535430
52.1800000 0.1471714
20.3400000 0.3047729
8.3810000 0.3973010
3.5290000 0.2172331
S 9 1.00
45840.0000000 -0.0000405
6868.0000000 -0.0001916
1563.0000000 -0.0008729
442.4000000 -0.0035503
144.3000000 -0.0120742
52.1800000 -0.0355377
20.3400000 -0.0801985
8.3810000 -0.1467880
3.5290000 -0.1158517
S 1 1.00
1.0540000 1.0000000
S 1 1.00
0.4118000 1.0000000
S 1 1.00
0.1552000 1.0000000
P 3 1.00
49.3300000 0.0055788
11.3700000 0.0380245
3.4350000 0.1490854
P 1 1.00
1.1820000 1.0000000
P 1 1.00
0.4173000 1.0000000
P 1 1.00
0.1428000 1.0000000
D 1 1.00
2.8370000 1.0000000
D 1 1.00
0.9680000 1.0000000
D 1 1.00
0.3350000 1.0000000
F 1 1.00
2.0270000 1.0000000
F 1 1.00
0.6850000 1.0000000
G 1 1.00
1.4270000 1.0000000
S 1 1.00
9.8620000 1.0000000
S 1 1.00
26.6270000 1.0000000
S 1 1.00
71.8940000 1.0000000
P 1 1.00
11.3200000 1.0000000
P 1 1.00
33.3490000 1.0000000
P 1 1.00
98.2450000 1.0000000
D 1 1.00
11.8280000 1.0000000
D 1 1.00
45.2180000 1.0000000
F 1 1.00
28.3640000 1.0000000
****
O 0
S 9 1.00
61420.0000000 0.0001989
9199.0000000 0.0008884
2091.0000000 0.0039425
590.9000000 0.0156072
192.3000000 0.0529461
69.3200000 0.1464382
26.9700000 0.3054148
11.1000000 0.3979979
4.6820000 0.2164354
S 9 1.00
61420.0000000 -0.0000452
9199.0000000 -0.0002026
2091.0000000 -0.0008948
590.9000000 -0.0036058
192.3000000 -0.0123033
69.3200000 -0.0364684
26.9700000 -0.0831671
11.1000000 -0.1521740
4.6820000 -0.1146271
S 1 1.00
1.4280000 1.0000000
S 1 1.00
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S 1 1.00
0.2067000 1.0000000
P 3 1.00
63.4200000 0.0061107
14.6600000 0.0418957
4.4590000 0.1612329
P 1 1.00
1.5310000 1.0000000
P 1 1.00
0.5302000 1.0000000
P 1 1.00
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D 1 1.00
3.7750000 1.0000000
D 1 1.00
1.3000000 1.0000000
D 1 1.00
0.4440000 1.0000000
F 1 1.00
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F 1 1.00
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G 1 1.00
1.8460000 1.0000000
S 1 1.00
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S 1 1.00
34.9000000 1.0000000
S 1 1.00
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P 1 1.00
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P 1 1.00
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P 1 1.00
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D 1 1.00
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D 1 1.00
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F 1 1.00
26.4830000 1.0000000
****
F 0
S 9 1.00
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11170.0000000 0.0009782
2543.0000000 0.0042187
721.0000000 0.0164262
235.9000000 0.0549597
85.6000000 0.1501715
33.5500000 0.3084373
13.9300000 0.3941862
5.9150000 0.2103451
S 9 1.00
74530.0000000 -0.0000526
11170.0000000 -0.0002277
2543.0000000 -0.0009777
721.0000000 -0.0038762
235.9000000 -0.0130575
85.6000000 -0.0383358
33.5500000 -0.0864713
13.9300000 -0.1559566
5.9150000 -0.1099779
S 1 1.00
1.8430000 1.0000000
S 1 1.00
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S 1 1.00
0.2637000 1.0000000
P 3 1.00
80.3900000 0.0064367
18.6300000 0.0443407
5.6940000 0.1686436
P 1 1.00
1.9530000 1.0000000
P 1 1.00
0.6702000 1.0000000
P 1 1.00
0.2166000 1.0000000
D 1 1.00
5.0140000 1.0000000
D 1 1.00
1.7250000 1.0000000
D 1 1.00
0.5860000 1.0000000
F 1 1.00
3.5620000 1.0000000
F 1 1.00
1.1480000 1.0000000
G 1 1.00
2.3760000 1.0000000
S 1 1.00
16.3190000 1.0000000
S 1 1.00
43.7840000 1.0000000
S 1 1.00
117.4720000 1.0000000
P 1 1.00
18.1190000 1.0000000
P 1 1.00
53.5050000 1.0000000
P 1 1.00
158.0010000 1.0000000
D 1 1.00
18.9430000 1.0000000
D 1 1.00
72.7980000 1.0000000
F 1 1.00
25.1610000 1.0000000
****
Ne 0
S 9 1.00
99920.0000000 0.0002309
14960.0000000 0.0009487
3399.0000000 0.0039528
958.9000000 0.0152737
311.2000000 0.0517892
111.7000000 0.1445869
43.3200000 0.3048408
17.8000000 0.3992901
7.5030000 0.2177599
S 9 1.00
99920.0000000 -0.0000543
14960.0000000 -0.0002242
3399.0000000 -0.0009299
958.9000000 -0.0036578
311.2000000 -0.0124756
111.7000000 -0.0373656
43.3200000 -0.0864225
17.8000000 -0.1585073
7.5030000 -0.1131074
S 1 1.00
2.3370000 1.0000000
S 1 1.00
0.9001000 1.0000000
S 1 1.00
0.3301000 1.0000000
P 3 1.00
99.6800000 0.0066835
23.1500000 0.0461632
7.1080000 0.1735949
P 1 1.00
2.4410000 1.0000000
P 1 1.00
0.8339000 1.0000000
P 1 1.00
0.2662000 1.0000000
D 1 1.00
6.4710000 1.0000000
D 1 1.00
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D 1 1.00
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1025.0000000 0.0009960
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****
Si 0
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****
P 0
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****
S 0
S 13 1.00
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****
Cl 0
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****
Ar 0
S 13 1.00
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5.9290000 -0.2779522
2.6780000 -0.3580799
S 1 1.00
0.9416000 1.0000000
S 1 1.00
0.4239000 1.0000000
S 1 1.00
0.1714000 1.0000000
P 8 1.00
1890.0000000 0.0006345
447.8000000 0.0045580
144.6000000 0.0229891
54.4600000 0.0840762
22.5100000 0.2179697
9.7740000 0.3744141
4.3680000 0.3654219
1.9590000 0.1286601
P 8 1.00
1890.0000000 -0.0001777
447.8000000 -0.0012754
144.6000000 -0.0065156
54.4600000 -0.0241765
22.5100000 -0.0651679
9.7740000 -0.1153641
4.3680000 -0.1230461
1.9590000 0.0657576
P 1 1.00
0.8260000 1.0000000
P 1 1.00
0.3297000 1.0000000
P 1 1.00
0.1242000 1.0000000
D 1 1.00
0.3110000 1.0000000
D 1 1.00
0.7630000 1.0000000
D 1 1.00
1.8730000 1.0000000
F 1 1.00
0.5430000 1.0000000
F 1 1.00
1.3250000 1.0000000
G 1 1.00
1.0070000 1.0000000
S 1 1.00
24.0240000 1.0000000
S 1 1.00
12.7060000 1.0000000
S 1 1.00
6.7200000 1.0000000
P 1 1.00
23.6270000 1.0000000
P 1 1.00
10.6540000 1.0000000
P 1 1.00
4.8040000 1.0000000
D 1 1.00
37.3640000 1.0000000
D 1 1.00
15.0130000 1.0000000
D 1 1.00
6.0320000 1.0000000
F 1 1.00
21.8840000 1.0000000
F 1 1.00
7.9680000 1.0000000
G 1 1.00
17.2430000 1.0000000
****
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