/usr/share/psi/basis/may-cc-pvtz.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.
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!
! cc-pVTZ EMSL Basis Set Exchange Library 5/17/11 11:44 AM
! 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).
! Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
! Na - Mg: D.E. Woon and T.H. Dunning, Jr. (to be published)
! Al - Ar: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
! Ca : J. Koput and K.A. Peterson, J. Phys. Chem. A, 106, 9595 (2002).
! Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys, 123, 064107 (2005)
! Ga - Kr: A.K. Wilson, D.E. Woon, K.A. Peterson, T.H. Dunning, Jr., J. Chem. Phys., 110, 7667 (1999)
!
!
! aug-cc-pVTZ Diffuse EMSL Basis Set Exchange Library 8/19/10 11:59 AM
! 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)
!
!
! merged from cc-pvtz.gbs and hold-diffuse-may-cc-pvtz.gbs at Sun, 02:39 Aug 14, 2011
!
****
H 0
S 3 1.00
33.8700000 0.0060680
5.0950000 0.0453080
1.1590000 0.2028220
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 0.0025870
35.1600000 0.0195330
7.9890000 0.0909980
2.2120000 0.2720500
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 0.0001330
898.9000000 0.0010250
205.9000000 0.0052720
59.2400000 0.0209290
19.8700000 0.0663400
7.4060000 0.1657750
2.9300000 0.3150380
1.1890000 0.3935230
0.4798000 0.1908700
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S 1 1.00
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P 1 1.00
0.0091000 1.0000000
****
Be 0
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66.5600000 0.0379570
21.6900000 0.1199650
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1.1300000 -0.1359080
0.1101000 0.5774410
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F 1 1.00
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S 1 1.00
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P 1 1.00
0.0070600 1.0000000
****
B 0
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186.8000000 0.0219490
52.8300000 0.0844410
17.0800000 0.2385570
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2.2080000 -0.1658240
0.2415000 0.5959810
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S 1 1.00
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2.6130000 0.0798960
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D 1 1.00
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D 1 1.00
0.1990000 1.0000000
F 1 1.00
0.4900000 1.0000000
S 1 1.00
0.0291400 1.0000000
P 1 1.00
0.0209600 1.0000000
****
C 0
S 8 1.00
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1235.0000000 0.0041080
280.8000000 0.0210870
79.2700000 0.0818530
25.5900000 0.2348170
8.9970000 0.4344010
3.3190000 0.3461290
0.3643000 -0.0089830
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1235.0000000 -0.0008780
280.8000000 -0.0045400
79.2700000 -0.0181330
25.5900000 -0.0557600
8.9970000 -0.1268950
3.3190000 -0.1703520
0.3643000 0.5986840
S 1 1.00
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S 1 1.00
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4.1330000 0.0868660
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F 1 1.00
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P 1 1.00
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****
N 0
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11420.0000000 0.0005230
1712.0000000 0.0040450
389.3000000 0.0207750
110.0000000 0.0807270
35.5700000 0.2330740
12.5400000 0.4335010
4.6440000 0.3474720
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11420.0000000 -0.0001150
1712.0000000 -0.0008950
389.3000000 -0.0046240
110.0000000 -0.0185280
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S 1 1.00
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S 1 1.00
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P 3 1.00
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1.7420000 0.2986830
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
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S 1 1.00
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P 1 1.00
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****
O 0
S 8 1.00
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2299.0000000 0.0039290
522.4000000 0.0202430
147.3000000 0.0791810
47.5500000 0.2306870
16.7600000 0.4331180
6.2070000 0.3502600
0.6882000 -0.0081540
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16.7600000 -0.1364630
6.2070000 -0.1757400
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S 1 1.00
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S 1 1.00
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P 3 1.00
34.4600000 0.0159280
7.7490000 0.0997400
2.2800000 0.3104920
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
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S 1 1.00
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P 1 1.00
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****
F 0
S 8 1.00
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2923.0000000 0.0039230
664.5000000 0.0202000
187.5000000 0.0790100
60.6200000 0.2304390
21.4200000 0.4328720
7.9500000 0.3499640
0.8815000 -0.0078920
S 8 1.00
19500.0000000 -0.0001170
2923.0000000 -0.0009120
664.5000000 -0.0047170
187.5000000 -0.0190860
60.6200000 -0.0596550
21.4200000 -0.1400100
7.9500000 -0.1767820
0.8815000 0.6050430
S 1 1.00
2.2570000 1.0000000
S 1 1.00
0.3041000 1.0000000
P 3 1.00
43.8800000 0.0166650
9.9260000 0.1044720
2.9300000 0.3172600
P 1 1.00
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P 1 1.00
0.2672000 1.0000000
D 1 1.00
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D 1 1.00
0.8550000 1.0000000
F 1 1.00
1.9170000 1.0000000
S 1 1.00
0.0915800 1.0000000
P 1 1.00
0.0736100 1.0000000
****
Ne 0
S 8 1.00
24350.0000000 0.0005020
3650.0000000 0.0038810
829.6000000 0.0199970
234.0000000 0.0784180
75.6100000 0.2296760
26.7300000 0.4327220
9.9270000 0.3506420
1.1020000 -0.0076450
S 8 1.00
24350.0000000 -0.0001180
3650.0000000 -0.0009150
829.6000000 -0.0047370
234.0000000 -0.0192330
75.6100000 -0.0603690
26.7300000 -0.1425080
9.9270000 -0.1777100
1.1020000 0.6058360
S 1 1.00
2.8360000 1.0000000
S 1 1.00
0.3782000 1.0000000
P 3 1.00
54.7000000 0.0171510
12.4300000 0.1076560
3.6790000 0.3216810
P 1 1.00
1.1430000 1.0000000
P 1 1.00
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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
0.1133000 1.0000000
P 1 1.00
0.0917500 1.0000000
****
Na 0
S 14 1.00
423000.0000000 0.180618D-04
63340.0000000 0.140430D-03
14410.0000000 0.738438D-03
4077.0000000 0.311182D-02
1328.0000000 0.112081D-01
478.6000000 0.352828D-01
186.2000000 0.959897D-01
76.9200000 0.213735D+00
33.3200000 0.348688D+00
15.0000000 0.324566D+00
6.8690000 0.112633D+00
2.6830000 0.706797D-02
1.1090000 0.598010D-03
0.0601500 -0.530870D-05
S 14 1.00
423000.0000000 -0.440653D-05
63340.0000000 -0.343443D-04
14410.0000000 -0.180114D-03
4077.0000000 -0.763900D-03
1328.0000000 -0.275248D-02
478.6000000 -0.886016D-02
186.2000000 -0.247939D-01
76.9200000 -0.605995D-01
33.3200000 -0.116446D+00
15.0000000 -0.162437D+00
6.8690000 -0.438891D-01
2.6830000 0.337917D+00
1.1090000 0.561347D+00
0.0601500 0.406754D-02
S 14 1.00
423000.0000000 0.663019D-06
63340.0000000 0.515769D-05
14410.0000000 0.271250D-04
4077.0000000 0.114635D-03
1328.0000000 0.415118D-03
478.6000000 0.132978D-02
186.2000000 0.375595D-02
76.9200000 0.914025D-02
33.3200000 0.179859D-01
15.0000000 0.251477D-01
6.8690000 0.763522D-02
2.6830000 -0.614589D-01
1.1090000 -0.115721D+00
0.0601500 0.626406D+00
S 1 1.00
0.4540000 1.0000000
S 1 1.00
0.0238200 1.0000000
P 8 1.00
243.3000000 0.224392D-02
57.3900000 0.173997D-01
18.1000000 0.774125D-01
6.5750000 0.219102D+00
2.5210000 0.378522D+00
0.9607000 0.394902D+00
0.3512000 0.160424D+00
0.0982700 0.233311D-02
P 8 1.00
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57.3900000 -0.174277D-02
18.1000000 -0.775456D-02
6.5750000 -0.225187D-01
2.5210000 -0.384330D-01
0.9607000 -0.450177D-01
0.3512000 -0.192132D-01
0.0982700 0.182697D+00
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
0.0066500 1.0000000
P 1 1.00
0.0070000 1.0000000
****
Mg 0
S 13 1.00
164900.0000000 0.729929D-04
24710.0000000 0.566652D-03
5628.0000000 0.296269D-02
1596.0000000 0.122962D-01
521.0000000 0.427324D-01
188.0000000 0.123013D+00
73.0100000 0.274832D+00
29.9000000 0.401818D+00
12.5400000 0.264697D+00
4.3060000 0.332612D-01
1.8260000 -0.441335D-02
0.7417000 0.206024D-02
0.0761200 0.708195D-03
S 13 1.00
164900.0000000 -0.184248D-04
24710.0000000 -0.143500D-03
5628.0000000 -0.748710D-03
1596.0000000 -0.314407D-02
521.0000000 -0.110481D-01
188.0000000 -0.336058D-01
73.0100000 -0.825946D-01
29.9000000 -0.159314D+00
12.5400000 -0.152888D+00
4.3060000 0.190849D+00
1.8260000 0.579964D+00
0.7417000 0.372029D+00
0.0761200 -0.119344D-01
S 13 1.00
164900.0000000 0.355176D-05
24710.0000000 0.276420D-04
5628.0000000 0.144404D-03
1596.0000000 0.605744D-03
521.0000000 0.213527D-02
188.0000000 0.649934D-02
73.0100000 0.161446D-01
29.9000000 0.315766D-01
12.5400000 0.316374D-01
4.3060000 -0.439140D-01
1.8260000 -0.151093D+00
0.7417000 -0.217668D+00
0.0761200 0.547245D+00
S 1 1.00
0.1457000 1.0000000
S 1 1.00
0.0331000 1.0000000
P 8 1.00
316.9000000 0.207532D-02
74.8600000 0.162869D-01
23.7200000 0.738697D-01
8.6690000 0.214297D+00
3.3630000 0.382154D+00
1.3100000 0.398178D+00
0.4911000 0.152878D+00
0.2364000 -0.437540D-02
P 8 1.00
316.9000000 -0.329727D-03
74.8600000 -0.258754D-02
23.7200000 -0.119120D-01
8.6690000 -0.350227D-01
3.3630000 -0.639968D-01
1.3100000 -0.704436D-01
0.4911000 -0.375836D-01
0.2364000 0.177043D+00
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
0.0129000 1.0000000
P 1 1.00
0.0074500 1.0000000
****
Al 0
S 13 1.00
205500.0000000 0.678836D-04
30780.0000000 0.527149D-03
7006.0000000 0.276203D-02
1985.0000000 0.114728D-01
649.1000000 0.398188D-01
235.0000000 0.115040D+00
91.6200000 0.260887D+00
37.6700000 0.396386D+00
15.9100000 0.284597D+00
5.8500000 0.444583D-01
2.5420000 -0.489838D-02
1.0570000 0.261253D-02
0.1455000 0.722068D-03
S 13 1.00
205500.0000000 -0.176377D-04
30780.0000000 -0.137195D-03
7006.0000000 -0.718910D-03
1985.0000000 -0.301146D-02
649.1000000 -0.106014D-01
235.0000000 -0.321345D-01
91.6200000 -0.803156D-01
37.6700000 -0.156794D+00
15.9100000 -0.168376D+00
5.8500000 0.126879D+00
2.5420000 0.561494D+00
1.0570000 0.436613D+00
0.1455000 -0.114563D-01
S 13 1.00
205500.0000000 0.407315D-05
30780.0000000 0.316566D-04
7006.0000000 0.166116D-03
1985.0000000 0.694992D-03
649.1000000 0.245511D-02
235.0000000 0.744598D-02
91.6200000 0.188253D-01
37.6700000 0.372772D-01
15.9100000 0.419496D-01
5.8500000 -0.354375D-01
2.5420000 -0.175132D+00
1.0570000 -0.276203D+00
0.1455000 0.652809D+00
S 1 1.00
0.2931000 1.0000000
S 1 1.00
0.0565000 1.0000000
P 7 1.00
444.4000000 0.162786D-02
105.1000000 0.130687D-01
33.4700000 0.612341D-01
12.3300000 0.187870D+00
4.8690000 0.360452D+00
1.9610000 0.408454D+00
0.1888000 0.976514D-02
P 7 1.00
444.4000000 -0.286341D-03
105.1000000 -0.242308D-02
33.4700000 -0.108658D-01
12.3300000 -0.364307D-01
4.8690000 -0.641074D-01
1.9610000 -0.972239D-01
0.1888000 0.503448D+00
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
0.0221000 1.0000000
P 1 1.00
0.0146000 1.0000000
****
Si 0
S 13 1.00
254900.0000000 0.625101D-04
38190.0000000 0.485553D-03
8690.0000000 0.254516D-02
2462.0000000 0.105866D-01
804.8000000 0.368787D-01
291.3000000 0.107479D+00
113.6000000 0.247936D+00
46.7500000 0.390927D+00
19.8200000 0.302026D+00
7.7080000 0.559236D-01
3.3400000 -0.402406D-02
1.4020000 0.258030D-02
0.2070000 0.607930D-03
S 13 1.00
254900.0000000 -0.166370D-04
38190.0000000 -0.129310D-03
8690.0000000 -0.678828D-03
2462.0000000 -0.284117D-02
804.8000000 -0.100551D-01
291.3000000 -0.305774D-01
113.6000000 -0.777256D-01
46.7500000 -0.154236D+00
19.8200000 -0.180368D+00
7.7080000 0.798218D-01
3.3400000 0.547441D+00
1.4020000 0.480119D+00
0.2070000 -0.106996D-01
S 13 1.00
254900.0000000 0.426257D-05
38190.0000000 0.331062D-04
8690.0000000 0.174015D-03
2462.0000000 0.727574D-03
804.8000000 0.258333D-02
291.3000000 0.786354D-02
113.6000000 0.202155D-01
46.7500000 0.407320D-01
19.8200000 0.499358D-01
7.7080000 -0.249396D-01
3.3400000 -0.190350D+00
1.4020000 -0.318350D+00
0.2070000 0.681180D+00
S 1 1.00
0.4387000 1.0000000
S 1 1.00
0.0794400 1.0000000
P 7 1.00
481.5000000 0.192045D-02
113.9000000 0.153552D-01
36.2300000 0.713991D-01
13.3400000 0.213052D+00
5.2520000 0.390354D+00
2.1200000 0.393721D+00
0.2528000 0.395630D-02
P 7 1.00
481.5000000 -0.405220D-03
113.9000000 -0.335896D-02
36.2300000 -0.152860D-01
13.3400000 -0.489218D-01
5.2520000 -0.855008D-01
2.1200000 -0.112137D+00
0.2528000 0.551919D+00
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
0.0330000 1.0000000
P 1 1.00
0.0237000 1.0000000
****
P 0
S 13 1.00
312400.0000000 0.576960D-04
46800.0000000 0.448296D-03
10650.0000000 0.234939D-02
3018.0000000 0.978265D-02
986.8000000 0.341467D-01
357.4000000 0.100204D+00
139.6000000 0.234372D+00
57.6300000 0.382434D+00
24.6000000 0.318088D+00
10.1200000 0.707788D-01
4.2830000 -0.181799D-02
1.8050000 0.216180D-02
0.2782000 0.432297D-03
S 13 1.00
312400.0000000 -0.156709D-04
46800.0000000 -0.121724D-03
10650.0000000 -0.639672D-03
3018.0000000 -0.267426D-02
986.8000000 -0.949831D-02
357.4000000 -0.289349D-01
139.6000000 -0.745121D-01
57.6300000 -0.149938D+00
24.6000000 -0.189467D+00
10.1200000 0.363270D-01
4.2830000 0.528816D+00
1.8050000 0.519115D+00
0.2782000 -0.925695D-02
S 13 1.00
312400.0000000 0.430631D-05
46800.0000000 0.334194D-04
10650.0000000 0.175885D-03
3018.0000000 0.734340D-03
986.8000000 0.261775D-02
357.4000000 0.797852D-02
139.6000000 0.207940D-01
57.6300000 0.424446D-01
24.6000000 0.563436D-01
10.1200000 -0.127358D-01
4.2830000 -0.196495D+00
1.8050000 -0.353555D+00
0.2782000 0.700912D+00
S 1 1.00
0.6158000 1.0000000
S 1 1.00
0.1055000 1.0000000
P 7 1.00
504.9000000 0.233728D-02
119.4000000 0.185410D-01
37.9600000 0.849693D-01
13.9500000 0.244615D+00
5.4570000 0.422766D+00
2.1770000 0.368439D+00
0.2877000 -0.379005D-02
P 7 1.00
504.9000000 -0.555236D-03
119.4000000 -0.445913D-02
37.9600000 -0.206350D-01
13.9500000 -0.617694D-01
5.4570000 -0.108924D+00
2.1770000 -0.105599D+00
0.2877000 0.576981D+00
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
0.0409000 1.0000000
P 1 1.00
0.0307000 1.0000000
****
S 0
S 13 1.00
374100.0000000 0.542140D-04
56050.0000000 0.420855D-03
12760.0000000 0.220698D-02
3615.0000000 0.919258D-02
1183.0000000 0.321123D-01
428.8000000 0.946683D-01
167.8000000 0.223630D+00
69.4700000 0.374393D+00
29.8400000 0.329108D+00
12.7200000 0.847038D-01
5.2440000 0.440851D-03
2.2190000 0.164827D-02
0.3490000 0.301306D-03
S 13 1.00
374100.0000000 -0.149837D-04
56050.0000000 -0.116198D-03
12760.0000000 -0.611583D-03
3615.0000000 -0.255370D-02
1183.0000000 -0.908708D-02
428.8000000 -0.277045D-01
167.8000000 -0.720020D-01
69.4700000 -0.146439D+00
29.8400000 -0.195150D+00
12.7200000 0.819193D-02
5.2440000 0.516601D+00
2.2190000 0.542178D+00
0.3490000 -0.918072D-02
S 13 1.00
374100.0000000 0.435066D-05
56050.0000000 0.337140D-04
12760.0000000 0.177674D-03
3615.0000000 0.741116D-03
1183.0000000 0.264591D-02
428.8000000 0.807487D-02
167.8000000 0.212276D-01
69.4700000 0.438323D-01
29.8400000 0.612716D-01
12.7200000 -0.361510D-02
5.2440000 -0.204510D+00
2.2190000 -0.381871D+00
0.3490000 0.714147D+00
S 1 1.00
0.7767000 1.0000000
S 1 1.00
0.1322000 1.0000000
P 7 1.00
574.4000000 0.242264D-02
135.8000000 0.192796D-01
43.1900000 0.885401D-01
15.8700000 0.254654D+00
6.2080000 0.433984D+00
2.4830000 0.354953D+00
0.3229000 -0.502977D-02
P 7 1.00
574.4000000 -0.620102D-03
135.8000000 -0.493882D-02
43.1900000 -0.232647D-01
15.8700000 -0.685195D-01
6.2080000 -0.123896D+00
2.4830000 -0.969499D-01
0.3229000 0.569394D+00
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
0.0497000 1.0000000
P 1 1.00
0.0351000 1.0000000
****
Cl 0
S 13 1.00
456100.0000000 0.492970D-04
68330.0000000 0.383029D-03
15550.0000000 0.200854D-02
4405.0000000 0.838558D-02
1439.0000000 0.294703D-01
520.4000000 0.878325D-01
203.1000000 0.211473D+00
83.9600000 0.365364D+00
36.2000000 0.340884D+00
15.8300000 0.102133D+00
6.3340000 0.311675D-02
2.6940000 0.105751D-02
0.4313000 0.156136D-03
S 13 1.00
456100.0000000 -0.138304D-04
68330.0000000 -0.107279D-03
15550.0000000 -0.565083D-03
4405.0000000 -0.236135D-02
1439.0000000 -0.845886D-02
520.4000000 -0.259638D-01
203.1000000 -0.686362D-01
83.9600000 -0.141874D+00
36.2000000 -0.199319D+00
15.8300000 -0.195662D-01
6.3340000 0.499741D+00
2.6940000 0.563736D+00
0.4313000 -0.835091D-02
S 13 1.00
456100.0000000 0.418546D-05
68330.0000000 0.324395D-04
15550.0000000 0.171105D-03
4405.0000000 0.714176D-03
1439.0000000 0.256705D-02
520.4000000 0.788552D-02
203.1000000 0.210867D-01
83.9600000 0.442264D-01
36.2000000 0.651670D-01
15.8300000 0.603012D-02
6.3340000 -0.206495D+00
2.6940000 -0.405871D+00
0.4313000 0.725661D+00
S 1 1.00
0.9768000 1.0000000
S 1 1.00
0.1625000 1.0000000
P 7 1.00
663.3000000 0.240448D-02
156.8000000 0.192148D-01
49.9800000 0.885097D-01
18.4200000 0.256020D+00
7.2400000 0.436927D+00
2.9220000 0.350334D+00
0.3818000 -0.458423D-02
P 7 1.00
663.3000000 -0.652145D-03
156.8000000 -0.519445D-02
49.9800000 -0.246938D-01
18.4200000 -0.728167D-01
7.2400000 -0.134030D+00
2.9220000 -0.947742D-01
0.3818000 0.564667D+00
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
0.0591000 1.0000000
P 1 1.00
0.0419000 1.0000000
****
Ar 0
S 13 1.00
545000.0000000 0.455828D-04
81640.0000000 0.354108D-03
18580.0000000 0.185797D-02
5261.0000000 0.776851D-02
1717.0000000 0.274232D-01
619.9000000 0.823836D-01
241.6000000 0.201230D+00
99.7900000 0.356781D+00
43.1500000 0.349563D+00
19.1400000 0.118266D+00
7.4880000 0.560190D-02
3.2050000 0.483473D-03
0.5204000 0.292025D-04
S 13 1.00
545000.0000000 -0.129551D-04
81640.0000000 -0.100428D-03
18580.0000000 -0.529583D-03
5261.0000000 -0.221396D-02
1717.0000000 -0.796845D-02
619.9000000 -0.245803D-01
241.6000000 -0.657798D-01
99.7900000 -0.137942D+00
43.1500000 -0.201630D+00
19.1400000 -0.412834D-01
7.4880000 0.484680D+00
3.2050000 0.579224D+00
0.5204000 -0.727553D-02
S 13 1.00
545000.0000000 0.404990D-05
81640.0000000 0.313691D-04
18580.0000000 0.165646D-03
5261.0000000 0.691662D-03
1717.0000000 0.249790D-02
619.9000000 0.771074D-02
241.6000000 0.208714D-01
99.7900000 0.443965D-01
43.1500000 0.680224D-01
19.1400000 0.141350D-01
7.4880000 -0.207489D+00
3.2050000 -0.425045D+00
0.5204000 0.733627D+00
S 1 1.00
1.1960000 1.0000000
S 1 1.00
0.1954000 1.0000000
P 7 1.00
761.8000000 0.236976D-02
180.2000000 0.190199D-01
57.5000000 0.880807D-01
21.2400000 0.256377D+00
8.3880000 0.438711D+00
3.4160000 0.347569D+00
0.4523000 -0.523882D-02
P 7 1.00
761.8000000 -0.667211D-03
180.2000000 -0.532717D-02
57.5000000 -0.255494D-01
21.2400000 -0.757197D-01
8.3880000 -0.141133D+00
3.4160000 -0.932768D-01
0.4523000 0.562450D+00
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
0.0685000 1.0000000
P 1 1.00
0.0487000 1.0000000
****
Ga 0
S 18 1.00
6558157.3000000 0.0000080
982025.3400000 0.0000622
223467.6900000 0.0003270
63288.2910000 0.0013794
20642.9400000 0.0049993
7450.5224000 0.0160605
2905.0744000 0.0460124
1204.2100000 0.1152224
524.3045400 0.2373921
237.4656300 0.3531989
110.5786600 0.2915500
51.3746240 0.0812129
24.4408460 0.0007655
11.7685910 0.0016124
5.3421190 -0.0007530
2.4950360 0.0003134
1.0987730 -0.0001306
0.2601800 0.0000513
S 18 1.00
6558157.3000000 -0.0000025
982025.3400000 -0.0000193
223467.6900000 -0.0001014
63288.2910000 -0.0004281
20642.9400000 -0.0015582
7450.5224000 -0.0050469
2905.0744000 -0.0148056
1204.2100000 -0.0389482
524.3045400 -0.0896832
237.4656300 -0.1664076
110.5786600 -0.2004010
51.3746240 0.0114943
24.4408460 0.4958134
11.7685910 0.5295550
5.3421190 0.1110185
2.4950360 -0.0007000
1.0987730 0.0022283
0.2601800 -0.0005014
S 18 1.00
6558157.3000000 0.0000009
982025.3400000 0.0000074
223467.6900000 0.0000387
63288.2910000 0.0001633
20642.9400000 0.0005944
7450.5224000 0.0019292
2905.0744000 0.0056689
1204.2100000 0.0150282
524.3045400 0.0350222
237.4656300 0.0671135
110.5786600 0.0850156
51.3746240 -0.0047212
24.4408460 -0.3016737
11.7685910 -0.4825489
5.3421190 0.0891695
2.4950360 0.7287830
1.0987730 0.4288542
0.2601800 0.0207249
S 18 1.00
6558157.3000000 0.0000002
982025.3400000 0.0000017
223467.6900000 0.0000090
63288.2910000 0.0000380
20642.9400000 0.0001382
7450.5224000 0.0004489
2905.0744000 0.0013188
1204.2100000 0.0035016
524.3045400 0.0081673
237.4656300 0.0157338
110.5786600 0.0200284
51.3746240 -0.0010136
24.4408460 -0.0750162
11.7685910 -0.1257980
5.3421190 0.0300857
2.4950360 0.2488169
1.0987730 0.2843706
0.2601800 -0.3110594
S 1 1.00
0.1270790 1.0000000
S 1 1.00
0.0544080 1.0000000
P 11 1.00
8050.1674000 0.0003169
1907.5361000 0.0027648
618.6274600 0.0151204
235.3241700 0.0599583
98.8996460 0.1733120
44.2482150 0.3410820
20.6174290 0.3896967
9.7805160 0.1839817
4.4412380 0.0218896
1.9640450 0.0011608
0.8335780 0.0002735
P 11 1.00
8050.1674000 -0.0001203
1907.5361000 -0.0010492
618.6274600 -0.0058102
235.3241700 -0.0234345
98.8996460 -0.0708270
44.2482150 -0.1465511
20.6174290 -0.1769660
9.7805160 0.0363821
4.4412380 0.4232848
1.9640450 0.4952586
0.8335780 0.1797428
P 11 1.00
8050.1674000 0.0000200
1907.5361000 0.0001689
618.6274600 0.0009668
235.3241700 0.0037797
98.8996460 0.0119082
44.2482150 0.0235693
20.6174290 0.0314233
9.7805160 -0.0136188
4.4412380 -0.0734003
1.9640450 -0.1264785
0.8335780 0.0158579
P 1 1.00
0.1934450 1.0000000
P 1 1.00
0.0561170 1.0000000
D 7 1.00
244.1474100 0.0020270
73.0675950 0.0165088
27.5920810 0.0703823
11.5465180 0.1911430
5.0486280 0.3254092
2.1784650 0.3678199
0.9002530 0.2744685
D 1 1.00
0.3373270 1.0000000
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****
|