/usr/share/psi/basis/heavy-aug-cc-pcvtz-dk.gbs is in psi4-data 1:0.3-5.
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The actual contents of the file can be viewed below.
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!
! cc-pVTZ-DK EMSL Basis Set Exchange Library 5/15/11 5:50 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)
! Y Zr Nb Mo Tc Ru Rh Pd : K.A. Peterson, D. Figgen, M. Dolg, H. Stoll,
! Energy-consistent relativistic pseudopotentials and correlation consistent
! basis sets for the 4d elements Y-Pd, Journal of Chemical Physics 126, 124101 (2007).
!
!
! Core/valence Functions (cc-pCVTZ) EMSL Basis Set Exchange Library 8/19/10 1:48 PM
! Elements References
! -------- ----------
! 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 : K.A. Peterson (to be published)
!
!
!
! H He
! blank entries added
!
!
! merged from corevalence-cc-pcvtz.gbs and basis-blankHHe.gbs at Wed, 04:21 May 18, 2011
!
!
! merged from cc-pvtz-dk.gbs and corevalence-cc-pcvtz_autogen.gbs at Wed, 04:21 May 18, 2011
!
!
! aug-cc-pVTZ-DK Diffuse EMSL Basis Set Exchange Library 5/15/11 4:28 PM
! 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 - F: R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96,
! 6796 (1992).
! Al - Cl: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
! Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys, 123, 064107 (2005)
! Y Zr Nb Mo Tc Ru Rh Pd : K.A. Peterson, D. Figgen, M. Dolg, H. Stoll,
! Energy-consistent relativistic pseudopotentials and correlation consistent
! basis sets for the 4d elements Y-Pd, Journal of Chemical Physics 126, 124101 (2007).
!
!
! merged from cc-pcvtz-dk.gbs and diffuse-aug-cc-pvtz-dk.gbs at Wed, 04:21 May 18, 2011
!
!
! cc-pVTZ-DK EMSL Basis Set Exchange Library 5/15/11 5:50 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)
! Y Zr Nb Mo Tc Ru Rh Pd : K.A. Peterson, D. Figgen, M. Dolg, H. Stoll,
! Energy-consistent relativistic pseudopotentials and correlation consistent
! basis sets for the 4d elements Y-Pd, Journal of Chemical Physics 126, 124101 (2007).
!
!
! merged from aug-cc-pcvtz-dk.gbs and cc-pvtz-dk.gbs at Wed, 04:21 May 18, 2011
!
****
H 0
S 3 1.00
33.8700000 0.0060773
5.0950000 0.0453176
1.1590000 0.2028364
S 1 1.00
0.3258000 1.0000000
S 1 1.00
0.1027000 1.0000000
P 1 1.00
1.4070000 1.0000000
P 1 1.00
0.3880000 1.0000000
D 1 1.00
1.0570000 1.0000000
****
He 0
S 4 1.00
234.0000000 0.0026127
35.1600000 0.0195588
7.9890000 0.0910316
2.2120000 0.2720643
S 1 1.00
0.6669000 1.0000000
S 1 1.00
0.2089000 1.0000000
P 1 1.00
3.0440000 1.0000000
P 1 1.00
0.7580000 1.0000000
D 1 1.00
1.9650000 1.0000000
****
Li 0
S 9 1.00
5988.0000000 0.0001590
898.9000000 0.0010523
205.9000000 0.0053137
59.2400000 0.0209831
19.8700000 0.0664049
7.4060000 0.1658220
2.9300000 0.3150359
1.1890000 0.3934631
0.4798000 0.1908184
S 9 1.00
5988.0000000 -0.0000248
898.9000000 -0.0001652
205.9000000 -0.0008272
59.2400000 -0.0033354
19.8700000 -0.0105312
7.4060000 -0.0281109
2.9300000 -0.0559366
1.1890000 -0.0992549
0.4798000 -0.1121221
S 1 1.00
0.0750900 1.0000000
S 1 1.00
0.0283200 1.0000000
P 3 1.00
3.2660000 0.0086331
0.6511000 0.0475337
0.1696000 0.2097708
P 1 1.00
0.0557800 1.0000000
P 1 1.00
0.0205000 1.0000000
D 1 1.00
0.1874000 1.0000000
D 1 1.00
0.0801000 1.0000000
F 1 1.00
0.1829000 1.0000000
S 1 1.00
1.9740000 1.0000000
S 1 1.00
0.6830000 1.0000000
P 1 1.00
7.3200000 1.0000000
P 1 1.00
1.8750000 1.0000000
D 1 1.00
4.9120000 1.0000000
S 1 1.00
0.0076000 1.0000000
P 1 1.00
0.0091000 1.0000000
D 1 1.00
0.0371000 1.0000000
F 1 1.00
0.0816000 1.0000000
****
Be 0
S 9 1.00
6863.0000000 0.0002897
1030.0000000 0.0018847
234.7000000 0.0095429
66.5600000 0.0380762
21.6900000 0.1200942
7.7340000 0.2822115
2.9160000 0.4273153
1.1300000 0.2661276
0.1101000 -0.0072870
S 9 1.00
6863.0000000 -0.0000529
1030.0000000 -0.0003433
234.7000000 -0.0017537
66.5600000 -0.0070364
21.6900000 -0.0231606
7.7340000 -0.0581609
2.9160000 -0.1145859
1.1300000 -0.1357835
0.1101000 0.5773731
S 1 1.00
0.2577000 1.0000000
S 1 1.00
0.0440900 1.0000000
P 3 1.00
7.4360000 0.0107482
1.5770000 0.0628561
0.4352000 0.2481982
P 1 1.00
0.1438000 1.0000000
P 1 1.00
0.0499400 1.0000000
D 1 1.00
0.3480000 1.0000000
D 1 1.00
0.1803000 1.0000000
F 1 1.00
0.3250000 1.0000000
S 1 1.00
4.6040000 1.0000000
S 1 1.00
1.6170000 1.0000000
P 1 1.00
14.4970000 1.0000000
P 1 1.00
3.7870000 1.0000000
D 1 1.00
9.1830000 1.0000000
S 1 1.00
0.0150300 1.0000000
P 1 1.00
0.0070600 1.0000000
D 1 1.00
0.0654000 1.0000000
F 1 1.00
0.1533000 1.0000000
****
B 0
S 8 1.00
5473.0000000 0.0006618
820.9000000 0.0044078
186.8000000 0.0221381
52.8300000 0.0846659
17.0800000 0.2387201
5.9990000 0.4349692
2.2080000 0.3416948
0.2415000 -0.0095262
S 8 1.00
5473.0000000 -0.0001338
820.9000000 -0.0008927
186.8000000 -0.0045253
52.8300000 -0.0177437
17.0800000 -0.0537048
5.9990000 -0.1190598
2.2080000 -0.1656727
0.2415000 0.5959798
S 1 1.00
0.5879000 1.0000000
S 1 1.00
0.0861000 1.0000000
P 3 1.00
12.0500000 0.0131399
2.6130000 0.0799035
0.7475000 0.2772102
P 1 1.00
0.2385000 1.0000000
P 1 1.00
0.0769800 1.0000000
D 1 1.00
0.6610000 1.0000000
D 1 1.00
0.1990000 1.0000000
F 1 1.00
0.4900000 1.0000000
S 1 1.00
2.9400000 1.0000000
S 1 1.00
8.3110000 1.0000000
P 1 1.00
6.0160000 1.0000000
P 1 1.00
22.8910000 1.0000000
D 1 1.00
13.0150000 1.0000000
S 1 1.00
0.0291400 1.0000000
P 1 1.00
0.0209600 1.0000000
D 1 1.00
0.0604000 1.0000000
F 1 1.00
0.1630000 1.0000000
****
C 0
S 8 1.00
8236.0000000 0.0006772
1235.0000000 0.0042785
280.8000000 0.0213576
79.2700000 0.0821858
25.5900000 0.2350715
8.9970000 0.4342613
3.3190000 0.3457333
0.3643000 -0.0089547
S 8 1.00
8236.0000000 -0.0001445
1235.0000000 -0.0009156
280.8000000 -0.0046031
79.2700000 -0.0182284
25.5900000 -0.0558690
8.9970000 -0.1269889
3.3190000 -0.1701050
0.3643000 0.5986760
S 1 1.00
0.9059000 1.0000000
S 1 1.00
0.1285000 1.0000000
P 3 1.00
18.7100000 0.0140738
4.1330000 0.0869016
1.2000000 0.2902016
P 1 1.00
0.3827000 1.0000000
P 1 1.00
0.1209000 1.0000000
D 1 1.00
1.0970000 1.0000000
D 1 1.00
0.3180000 1.0000000
F 1 1.00
0.7610000 1.0000000
S 1 1.00
4.2920000 1.0000000
S 1 1.00
11.8760000 1.0000000
P 1 1.00
8.7780000 1.0000000
P 1 1.00
33.1900000 1.0000000
D 1 1.00
14.8390000 1.0000000
S 1 1.00
0.0440200 1.0000000
P 1 1.00
0.0356900 1.0000000
D 1 1.00
0.1000000 1.0000000
F 1 1.00
0.2680000 1.0000000
****
N 0
S 8 1.00
11420.0000000 0.0007127
1712.0000000 0.0042813
389.3000000 0.0211421
110.0000000 0.0811887
35.5700000 0.2334368
12.5400000 0.4333154
4.6440000 0.3469116
0.5118000 -0.0084838
S 8 1.00
11420.0000000 -0.0001573
1712.0000000 -0.0009485
389.3000000 -0.0047127
110.0000000 -0.0186658
35.5700000 -0.0575021
12.5400000 -0.1322177
4.6440000 -0.1721464
0.5118000 0.5999371
S 1 1.00
1.2930000 1.0000000
S 1 1.00
0.1787000 1.0000000
P 3 1.00
26.6300000 0.0147368
5.9480000 0.0918329
1.7420000 0.2986885
P 1 1.00
0.5550000 1.0000000
P 1 1.00
0.1725000 1.0000000
D 1 1.00
1.6540000 1.0000000
D 1 1.00
0.4690000 1.0000000
F 1 1.00
1.0930000 1.0000000
S 1 1.00
5.9520000 1.0000000
S 1 1.00
16.2010000 1.0000000
P 1 1.00
11.8710000 1.0000000
P 1 1.00
44.8490000 1.0000000
D 1 1.00
14.2000000 1.0000000
S 1 1.00
0.0576000 1.0000000
P 1 1.00
0.0491000 1.0000000
D 1 1.00
0.1510000 1.0000000
F 1 1.00
0.3640000 1.0000000
****
O 0
S 8 1.00
15330.0000000 0.0007428
2299.0000000 0.0042405
522.4000000 0.0207194
147.3000000 0.0797931
47.5500000 0.2311816
16.7600000 0.4328845
6.2070000 0.3495073
0.6882000 -0.0081229
S 8 1.00
15330.0000000 -0.0001688
2299.0000000 -0.0009679
522.4000000 -0.0047549
147.3000000 -0.0189126
47.5500000 -0.0586914
16.7600000 -0.1366626
6.2070000 -0.1752353
0.6882000 0.6033925
S 1 1.00
1.7520000 1.0000000
S 1 1.00
0.2384000 1.0000000
P 3 1.00
34.4600000 0.0160267
7.7490000 0.0998490
2.2800000 0.3105086
P 1 1.00
0.7156000 1.0000000
P 1 1.00
0.2140000 1.0000000
D 1 1.00
2.3140000 1.0000000
D 1 1.00
0.6450000 1.0000000
F 1 1.00
1.4280000 1.0000000
S 1 1.00
7.8450000 1.0000000
S 1 1.00
21.0320000 1.0000000
P 1 1.00
15.1590000 1.0000000
P 1 1.00
57.4370000 1.0000000
D 1 1.00
15.8580000 1.0000000
S 1 1.00
0.0737600 1.0000000
P 1 1.00
0.0597400 1.0000000
D 1 1.00
0.2140000 1.0000000
F 1 1.00
0.5000000 1.0000000
****
F 0
S 8 1.00
19500.0000000 0.0007913
2923.0000000 0.0043210
664.5000000 0.0208039
187.5000000 0.0797933
60.6200000 0.2310785
21.4200000 0.4325780
7.9500000 0.3489945
0.8815000 -0.0078525
S 8 1.00
19500.0000000 -0.0001835
2923.0000000 -0.0010071
664.5000000 -0.0048719
187.5000000 -0.0193323
60.6200000 -0.0599582
21.4200000 -0.1402744
7.9500000 -0.1761052
0.8815000 0.6049737
S 1 1.00
2.2570000 1.0000000
S 1 1.00
0.3041000 1.0000000
P 3 1.00
43.8800000 0.0168000
9.9260000 0.1046299
2.9300000 0.3172873
P 1 1.00
0.9132000 1.0000000
P 1 1.00
0.2672000 1.0000000
D 1 1.00
3.1070000 1.0000000
D 1 1.00
0.8550000 1.0000000
F 1 1.00
1.9170000 1.0000000
S 1 1.00
9.8120000 1.0000000
S 1 1.00
25.9430000 1.0000000
P 1 1.00
18.7560000 1.0000000
P 1 1.00
71.3480000 1.0000000
D 1 1.00
19.1080000 1.0000000
S 1 1.00
0.0915800 1.0000000
P 1 1.00
0.0736100 1.0000000
D 1 1.00
0.2920000 1.0000000
F 1 1.00
0.7240000 1.0000000
****
Ne 0
S 8 1.00
24350.0000000 0.0008358
3650.0000000 0.0043745
829.6000000 0.0207423
234.0000000 0.0793936
75.6100000 0.2304832
26.7300000 0.4323621
9.9270000 0.3494274
1.1020000 -0.0075967
S 8 1.00
24350.0000000 -0.0001967
3650.0000000 -0.0010354
829.6000000 -0.0049308
234.0000000 -0.0195454
75.6100000 -0.0607585
26.7300000 -0.1428460
9.9270000 -0.1768425
1.1020000 0.6057343
S 1 1.00
2.8360000 1.0000000
S 1 1.00
0.3782000 1.0000000
P 3 1.00
54.7000000 0.0173278
12.4300000 0.1078707
3.6790000 0.3217252
P 1 1.00
1.1430000 1.0000000
P 1 1.00
0.3300000 1.0000000
D 1 1.00
4.0140000 1.0000000
D 1 1.00
1.0960000 1.0000000
F 1 1.00
2.5440000 1.0000000
S 1 1.00
12.0830000 1.0000000
S 1 1.00
31.9470000 1.0000000
P 1 1.00
22.8270000 1.0000000
P 1 1.00
87.0170000 1.0000000
D 1 1.00
23.1680000 1.0000000
S 1 1.00
0.1133000 1.0000000
P 1 1.00
0.0917500 1.0000000
D 1 1.00
0.3860000 1.0000000
F 1 1.00
1.0840000 1.0000000
****
Na 0
S 14 1.00
423000.0000000 0.0000890
63340.0000000 0.0003055
14410.0000000 0.0010495
4077.0000000 0.0035692
1328.0000000 0.0118412
478.6000000 0.0361339
186.2000000 0.0969663
76.9200000 0.2144124
33.3200000 0.3483759
15.0000000 0.3233780
6.8690000 0.1120091
2.6830000 0.0070223
1.1090000 0.0005966
0.0601500 -0.0000050
S 14 1.00
423000.0000000 -0.0000218
63340.0000000 -0.0000749
14410.0000000 -0.0002571
4077.0000000 -0.0008795
1328.0000000 -0.0029209
478.6000000 -0.0091129
186.2000000 -0.0251502
76.9200000 -0.0610296
33.3200000 -0.1167017
15.0000000 -0.1621266
6.8690000 -0.0422846
2.6830000 0.3395466
1.1090000 0.5607534
0.0601500 0.0040000
S 14 1.00
423000.0000000 0.0000033
63340.0000000 0.0000113
14410.0000000 0.0000387
4077.0000000 0.0001320
1328.0000000 0.0004406
478.6000000 0.0013683
186.2000000 0.0038100
76.9200000 0.0092122
33.3200000 0.0180161
15.0000000 0.0251437
6.8690000 0.0072823
2.6830000 -0.0616094
1.1090000 -0.1163041
0.0601500 0.6290489
S 1 1.00
0.4540000 1.0000000
S 1 1.00
0.0238200 1.0000000
P 8 1.00
243.3000000 0.0023360
57.3900000 0.0175708
18.1000000 0.0776875
6.5750000 0.2192534
2.5210000 0.3784065
0.9607000 0.3946998
0.3512000 0.1604432
0.0982700 0.0023645
P 8 1.00
243.3000000 -0.0002316
57.3900000 -0.0017602
18.1000000 -0.0077836
6.5750000 -0.0225358
2.5210000 -0.0384212
0.9607000 -0.0450032
0.3512000 -0.0191964
0.0982700 0.1827235
P 1 1.00
0.0373400 1.0000000
P 1 1.00
0.0150000 1.0000000
D 1 1.00
0.1367000 1.0000000
D 1 1.00
0.0636000 1.0000000
F 1 1.00
0.1397000 1.0000000
S 1 1.00
4.1890000 1.0000000
S 1 1.00
0.6260000 1.0000000
P 1 1.00
1.5690000 1.0000000
P 1 1.00
0.5120000 1.0000000
D 1 1.00
5.4040000 1.0000000
D 1 1.00
1.5300000 1.0000000
F 1 1.00
3.4650000 1.0000000
S 1 1.00
0.0066500 1.0000000
P 1 1.00
0.0070000 1.0000000
D 1 1.00
0.0223000 1.0000000
F 1 1.00
0.0714000 1.0000000
****
Mg 0
S 13 1.00
164900.0000000 0.0002422
24710.0000000 0.0009215
5628.0000000 0.0035555
1596.0000000 0.0131266
521.0000000 0.0438767
188.0000000 0.1242674
73.0100000 0.2754606
29.9000000 0.4008546
12.5400000 0.2632257
4.3060000 0.0330029
1.8260000 -0.0043711
0.7417000 0.0020420
0.0761200 0.0007009
S 13 1.00
164900.0000000 -0.0000614
24710.0000000 -0.0002342
5628.0000000 -0.0009030
1596.0000000 -0.0033736
521.0000000 -0.0114009
188.0000000 -0.0341221
73.0100000 -0.0831202
29.9000000 -0.1595571
12.5400000 -0.1513356
4.3060000 0.1935020
1.8260000 0.5798608
0.7417000 0.3696639
0.0761200 -0.0115917
S 13 1.00
164900.0000000 0.0000118
24710.0000000 0.0000451
5628.0000000 0.0001742
1596.0000000 0.0006501
521.0000000 0.0022034
188.0000000 0.0066013
73.0100000 0.0162441
29.9000000 0.0316427
12.5400000 0.0312732
4.3060000 -0.0444516
1.8260000 -0.1516479
0.7417000 -0.2163940
0.0761200 0.5453010
S 1 1.00
0.1457000 1.0000000
S 1 1.00
0.0331000 1.0000000
P 8 1.00
316.9000000 0.0021856
74.8600000 0.0164985
23.7200000 0.0742262
8.6690000 0.2145337
3.3630000 0.3820475
1.3100000 0.3978887
0.4911000 0.1528155
0.2364000 -0.0043175
P 8 1.00
316.9000000 -0.0003462
74.8600000 -0.0026128
23.7200000 -0.0119341
8.6690000 -0.0349344
3.3630000 -0.0637955
1.3100000 -0.0700523
0.4911000 -0.0382229
0.2364000 0.1775221
P 1 1.00
0.0873300 1.0000000
P 1 1.00
0.0323700 1.0000000
D 1 1.00
0.1260000 1.0000000
D 1 1.00
0.2940000 1.0000000
F 1 1.00
0.2520000 1.0000000
S 1 1.00
17.5160000 1.0000000
S 1 1.00
3.8700000 1.0000000
P 1 1.00
20.2970000 1.0000000
P 1 1.00
5.1050000 1.0000000
D 1 1.00
7.0290000 1.0000000
D 1 1.00
2.1210000 1.0000000
F 1 1.00
4.5300000 1.0000000
S 1 1.00
0.0129000 1.0000000
P 1 1.00
0.0074500 1.0000000
D 1 1.00
0.0468000 1.0000000
F 1 1.00
0.0940000 1.0000000
****
Al 0
S 13 1.00
205500.0000000 0.0002486
30780.0000000 0.0009183
7006.0000000 0.0034388
1985.0000000 0.0124309
649.1000000 0.0411372
235.0000000 0.1165198
91.6200000 0.2617217
37.6700000 0.3953985
15.9100000 0.2827977
5.8500000 0.0440595
2.5420000 -0.0048440
1.0570000 0.0025850
0.1455000 0.0007132
S 13 1.00
205500.0000000 -0.0000649
30780.0000000 -0.0002401
7006.0000000 -0.0009000
1985.0000000 -0.0032826
649.1000000 -0.0110170
235.0000000 -0.0327430
91.6200000 -0.0809702
37.6700000 -0.1571116
15.9100000 -0.1667395
5.8500000 0.1299949
2.5420000 0.5619410
1.0570000 0.4337633
0.1455000 -0.0111008
S 13 1.00
205500.0000000 0.0000150
30780.0000000 0.0000554
7006.0000000 0.0002080
1985.0000000 0.0007579
649.1000000 0.0025517
235.0000000 0.0075909
91.6200000 0.0189792
37.6700000 0.0373779
15.9100000 0.0415027
5.8500000 -0.0362454
2.5420000 -0.1759455
1.0570000 -0.2747958
0.1455000 0.6521109
S 1 1.00
0.2931000 1.0000000
S 1 1.00
0.0565000 1.0000000
P 7 1.00
444.4000000 0.0017470
105.1000000 0.0133061
33.4700000 0.0616623
12.3300000 0.1882350
4.8690000 0.3604280
1.9610000 0.4080722
0.1888000 0.0097994
P 7 1.00
444.4000000 -0.0003076
105.1000000 -0.0024646
33.4700000 -0.0109375
12.3300000 -0.0364711
4.8690000 -0.0640394
1.9610000 -0.0970652
0.1888000 0.5027104
P 1 1.00
0.7834000 1.0000000
P 1 1.00
0.0555700 1.0000000
D 1 1.00
0.1090000 1.0000000
D 1 1.00
0.3330000 1.0000000
F 1 1.00
0.2440000 1.0000000
S 1 1.00
7.4880000 1.0000000
S 1 1.00
1.2720000 1.0000000
P 1 1.00
2.2020000 1.0000000
P 1 1.00
5.5480000 1.0000000
D 1 1.00
2.6340000 1.0000000
D 1 1.00
8.6460000 1.0000000
F 1 1.00
5.6860000 1.0000000
S 1 1.00
0.0221000 1.0000000
P 1 1.00
0.0146000 1.0000000
D 1 1.00
0.0356000 1.0000000
F 1 1.00
0.0858000 1.0000000
****
Si 0
S 13 1.00
254900.0000000 0.0002529
38190.0000000 0.0009090
8690.0000000 0.0033025
2462.0000000 0.0116759
804.8000000 0.0383795
291.3000000 0.1092047
113.6000000 0.2490127
46.7500000 0.3899473
19.8200000 0.2998830
7.7080000 0.0553498
3.3400000 -0.0039710
1.4020000 0.0025494
0.2070000 0.0006001
S 13 1.00
254900.0000000 -0.0000676
38190.0000000 -0.0002434
8690.0000000 -0.0008863
2462.0000000 -0.0031552
804.8000000 -0.0105363
291.3000000 -0.0312848
113.6000000 -0.0785245
46.7500000 -0.1546506
19.8200000 -0.1786818
7.7080000 0.0834192
3.3400000 0.5485415
1.4020000 0.4767448
0.2070000 -0.0103212
S 13 1.00
254900.0000000 0.0000173
38190.0000000 0.0000624
8690.0000000 0.0002272
2462.0000000 0.0008085
804.8000000 0.0027076
291.3000000 0.0080506
113.6000000 0.0204261
46.7500000 0.0408728
19.8200000 0.0494300
7.7080000 -0.0259952
3.3400000 -0.1915191
1.4020000 -0.3167253
0.2070000 0.6807332
S 1 1.00
0.4387000 1.0000000
S 1 1.00
0.0794400 1.0000000
P 7 1.00
481.5000000 0.0020745
113.9000000 0.0156644
36.2300000 0.0719518
13.3400000 0.2134897
5.2520000 0.3902729
2.1200000 0.3932155
0.2528000 0.0039858
P 7 1.00
481.5000000 -0.0004381
113.9000000 -0.0034247
36.2300000 -0.0154023
13.3400000 -0.0489931
5.2520000 -0.0854192
2.1200000 -0.1119097
0.2528000 0.5513707
P 1 1.00
0.8561000 1.0000000
P 1 1.00
0.0788900 1.0000000
D 1 1.00
0.1590000 1.0000000
D 1 1.00
0.4810000 1.0000000
F 1 1.00
0.3360000 1.0000000
S 1 1.00
9.1640000 1.0000000
S 1 1.00
1.6210000 1.0000000
P 1 1.00
6.4580000 1.0000000
P 1 1.00
2.5170000 1.0000000
D 1 1.00
10.6710000 1.0000000
D 1 1.00
3.3080000 1.0000000
F 1 1.00
7.0010000 1.0000000
S 1 1.00
0.0330000 1.0000000
P 1 1.00
0.0237000 1.0000000
D 1 1.00
0.0556000 1.0000000
F 1 1.00
0.1250000 1.0000000
****
P 0
S 13 1.00
312400.0000000 0.0002571
46800.0000000 0.0009020
10650.0000000 0.0031853
3018.0000000 0.0110055
986.8000000 0.0358359
357.4000000 0.1021861
139.6000000 0.2357207
57.6300000 0.3815204
24.6000000 0.3156027
10.1200000 0.0699621
4.2830000 -0.0017854
1.8050000 0.0021312
0.2782000 0.0004255
S 13 1.00
312400.0000000 -0.0000702
46800.0000000 -0.0002465
10650.0000000 -0.0008732
3018.0000000 -0.0030327
986.8000000 -0.0100473
357.4000000 -0.0297436
139.6000000 -0.0754666
57.6300000 -0.1504688
24.6000000 -0.1878391
10.1200000 0.0403987
4.2830000 0.5308169
1.8050000 0.5151652
0.2782000 -0.0089109
S 13 1.00
312400.0000000 -0.0000193
46800.0000000 -0.0000677
10650.0000000 -0.0002401
3018.0000000 -0.0008334
986.8000000 -0.0027699
357.4000000 -0.0082076
139.6000000 -0.0210652
57.6300000 -0.0426310
24.6000000 -0.0558250
10.1200000 0.0140284
4.2830000 0.1981170
1.8050000 0.3517465
0.2782000 -0.7008474
S 1 1.00
0.6158000 1.0000000
S 1 1.00
0.1055000 1.0000000
P 7 1.00
504.9000000 0.0025366
119.4000000 0.0189426
37.9600000 0.0856706
13.9500000 0.2451121
5.4570000 0.4225698
2.1770000 0.3677769
0.2877000 -0.0037587
P 7 1.00
504.9000000 -0.0006028
119.4000000 -0.0045552
37.9600000 -0.0208047
13.9500000 -0.0618635
5.4570000 -0.1088145
2.1770000 -0.1052149
0.2877000 0.5764654
P 1 1.00
0.8010000 1.0000000
P 1 1.00
0.0971400 1.0000000
D 1 1.00
0.2160000 1.0000000
D 1 1.00
0.6520000 1.0000000
F 1 1.00
0.4520000 1.0000000
S 1 1.00
10.9780000 1.0000000
S 1 1.00
2.0060000 1.0000000
P 1 1.00
7.0840000 1.0000000
P 1 1.00
2.7010000 1.0000000
D 1 1.00
12.8910000 1.0000000
D 1 1.00
4.0560000 1.0000000
F 1 1.00
8.4620000 1.0000000
S 1 1.00
0.0409000 1.0000000
P 1 1.00
0.0307000 1.0000000
D 1 1.00
0.0775000 1.0000000
F 1 1.00
0.1650000 1.0000000
****
S 0
S 13 1.00
374100.0000000 0.0002638
56050.0000000 0.0009062
12760.0000000 0.0031247
3615.0000000 0.0105603
1183.0000000 0.0340035
428.8000000 0.0969219
167.8000000 0.2252582
69.4700000 0.3735512
29.8400000 0.3262878
12.7200000 0.0836129
5.2440000 0.0004429
2.2190000 0.0016215
0.3490000 0.0002957
S 13 1.00
374100.0000000 -0.0000733
56050.0000000 -0.0002521
12760.0000000 -0.0008725
3615.0000000 -0.0029604
1183.0000000 -0.0097096
428.8000000 -0.0286229
167.8000000 -0.0731204
69.4700000 -0.1470961
29.8400000 -0.1935729
12.7200000 0.0128266
5.2440000 0.5194749
2.2190000 0.5375512
0.3490000 -0.0088273
S 13 1.00
374100.0000000 0.0000213
56050.0000000 0.0000732
12760.0000000 0.0002535
3615.0000000 0.0008599
1183.0000000 0.0028283
428.8000000 0.0083497
167.8000000 0.0215638
69.4700000 0.0440714
29.8400000 0.0607406
12.7200000 -0.0051710
5.2440000 -0.2066834
2.2190000 -0.3796525
0.3490000 0.7139336
S 1 1.00
0.7767000 1.0000000
S 1 1.00
0.1322000 1.0000000
P 7 1.00
574.4000000 0.0026583
135.8000000 0.0197601
43.1900000 0.0893840
15.8700000 0.2552538
6.2080000 0.4337250
2.4830000 0.3541224
0.3229000 -0.0050047
P 7 1.00
574.4000000 -0.0006804
135.8000000 -0.0050630
43.1900000 -0.0234889
15.8700000 -0.0686526
6.2080000 -0.1237698
2.4830000 -0.0963932
0.3229000 0.5688332
P 1 1.00
0.8688000 1.0000000
P 1 1.00
0.1098000 1.0000000
D 1 1.00
0.2690000 1.0000000
D 1 1.00
0.8190000 1.0000000
F 1 1.00
0.5570000 1.0000000
S 1 1.00
12.9280000 1.0000000
S 1 1.00
2.4130000 1.0000000
P 1 1.00
8.1140000 1.0000000
P 1 1.00
3.1060000 1.0000000
D 1 1.00
15.2540000 1.0000000
D 1 1.00
4.8450000 1.0000000
F 1 1.00
10.0520000 1.0000000
S 1 1.00
0.0497000 1.0000000
P 1 1.00
0.0351000 1.0000000
D 1 1.00
0.1010000 1.0000000
F 1 1.00
0.2180000 1.0000000
****
Cl 0
S 13 1.00
456100.0000000 0.0002645
68330.0000000 0.0008905
15550.0000000 0.0029934
4405.0000000 0.0098871
1439.0000000 0.0315606
520.4000000 0.0903711
203.1000000 0.2134406
83.9600000 0.3646772
36.2000000 0.3377387
15.8300000 0.1006810
6.3340000 0.0030732
2.6940000 0.0010373
0.4313000 0.0001520
S 13 1.00
456100.0000000 -0.0000747
68330.0000000 -0.0002515
15550.0000000 -0.0008492
4405.0000000 -0.0028128
1439.0000000 -0.0091519
520.4000000 -0.0269903
203.1000000 -0.0699330
83.9600000 -0.1426906
36.2000000 -0.1978853
15.8300000 -0.0143283
6.3340000 0.5036507
2.6940000 0.5584234
0.4313000 -0.0080500
S 13 1.00
456100.0000000 0.0000226
68330.0000000 0.0000761
15550.0000000 0.0002572
4405.0000000 0.0008515
1439.0000000 0.0027786
520.4000000 0.0082052
203.1000000 0.0214933
83.9600000 0.0445276
36.2000000 0.0646680
15.8300000 0.0041911
6.3340000 -0.2092752
2.6940000 -0.4033247
0.4313000 0.7256082
S 1 1.00
0.9768000 1.0000000
S 1 1.00
0.1625000 1.0000000
P 7 1.00
663.3000000 0.0026741
156.8000000 0.0197715
49.9800000 0.0894991
18.4200000 0.2567502
7.2400000 0.4366374
2.9220000 0.3493206
0.3818000 -0.0045545
P 7 1.00
663.3000000 -0.0007253
156.8000000 -0.0053474
49.9800000 -0.0249761
18.4200000 -0.0730005
7.2400000 -0.1338923
2.9220000 -0.0940334
0.3818000 0.5640464
P 1 1.00
1.0220000 1.0000000
P 1 1.00
0.1301000 1.0000000
D 1 1.00
1.0460000 1.0000000
D 1 1.00
0.3440000 1.0000000
F 1 1.00
0.7060000 1.0000000
S 1 1.00
15.0640000 1.0000000
S 1 1.00
2.8740000 1.0000000
P 1 1.00
9.4800000 1.0000000
P 1 1.00
3.6680000 1.0000000
D 1 1.00
17.9570000 1.0000000
D 1 1.00
5.7600000 1.0000000
F 1 1.00
11.7790000 1.0000000
S 1 1.00
0.0591000 1.0000000
P 1 1.00
0.0419000 1.0000000
D 1 1.00
0.1350000 1.0000000
F 1 1.00
0.3120000 1.0000000
****
Ar 0
S 13 1.00
545000.0000000 0.0002676
81640.0000000 0.0008851
18580.0000000 0.0029115
5261.0000000 0.0094107
1717.0000000 0.0297252
619.9000000 0.0852189
241.6000000 0.2035465
99.7900000 0.3562637
43.1500000 0.3461000
19.1400000 0.1164162
7.4880000 0.0055038
3.2050000 0.0004726
0.5204000 0.0000270
S 13 1.00
545000.0000000 -0.0000766
81640.0000000 -0.0002534
18580.0000000 -0.0008375
5261.0000000 -0.0027127
1717.0000000 -0.0087370
619.9000000 -0.0257215
241.6000000 -0.0672613
99.7900000 -0.1389310
43.1500000 -0.2003327
19.1400000 -0.0353876
7.4880000 0.4896428
3.2050000 0.5732040
0.5204000 -0.0070177
S 13 1.00
545000.0000000 0.0000239
81640.0000000 0.0000792
18580.0000000 0.0002620
5261.0000000 0.0008483
1717.0000000 0.0027402
619.9000000 0.0080774
241.6000000 0.0213514
99.7900000 0.0447653
43.1500000 0.0675613
19.1400000 0.0119876
7.4880000 -0.2109174
3.2050000 -0.4221521
0.5204000 0.7337362
S 1 1.00
1.1960000 1.0000000
S 1 1.00
0.1954000 1.0000000
P 7 1.00
761.8000000 0.0026746
180.2000000 0.0196563
57.5000000 0.0892268
21.2400000 0.2572532
8.3880000 0.4383940
3.4160000 0.3463553
0.4523000 -0.0052053
P 7 1.00
761.8000000 -0.0007530
180.2000000 -0.0055091
57.5000000 -0.0258919
21.2400000 -0.0759587
8.3880000 -0.1409826
3.4160000 -0.0923338
0.4523000 0.5617501
P 1 1.00
1.2060000 1.0000000
P 1 1.00
0.1545000 1.0000000
D 1 1.00
0.4100000 1.0000000
D 1 1.00
1.2540000 1.0000000
F 1 1.00
0.8900000 1.0000000
S 1 1.00
17.3620000 1.0000000
S 1 1.00
3.3780000 1.0000000
P 1 1.00
11.0190000 1.0000000
P 1 1.00
4.3070000 1.0000000
D 1 1.00
20.7060000 1.0000000
D 1 1.00
6.6810000 1.0000000
F 1 1.00
13.6740000 1.0000000
S 1 1.00
0.0685000 1.0000000
P 1 1.00
0.0487000 1.0000000
D 1 1.00
0.1690000 1.0000000
F 1 1.00
0.4060000 1.0000000
****
|