/usr/share/psi/basis/aug-cc-pv5z.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-pV5Z EMSL Basis Set Exchange Library 8/12/10 2:34 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 : Unofficial set from D. Feller.
! B - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
! Na - Mg: Unofficial set from D. Feller.
! 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-pV5Z Diffuse EMSL Basis Set Exchange Library 8/19/10 11:58 AM
! Elements References
! -------- ---------
! H : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
! Diffuse s exponent - S. Mielke
! 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-pv5z.gbs and diffuse-aug-cc-pv5z.gbs at Wed, 02:16 Aug 25, 2010
!
****
H 0
S 4 1.00
402.0000000 0.0002790
60.2400000 0.0021650
13.7300000 0.0112010
3.9050000 0.0448780
S 1 1.00
1.2830000 1.0000000
S 1 1.00
0.4655000 1.0000000
S 1 1.00
0.1811000 1.0000000
S 1 1.00
0.0727900 1.0000000
P 1 1.00
4.5160000 1.0000000
P 1 1.00
1.7120000 1.0000000
P 1 1.00
0.6490000 1.0000000
P 1 1.00
0.2460000 1.0000000
D 1 1.00
2.9500000 1.0000000
D 1 1.00
1.2060000 1.0000000
D 1 1.00
0.4930000 1.0000000
F 1 1.00
2.5060000 1.0000000
F 1 1.00
0.8750000 1.0000000
G 1 1.00
2.3580000 1.0000000
S 1 1.00
0.0207000 1.0000000
P 1 1.00
0.0744000 1.0000000
D 1 1.00
0.1560000 1.0000000
F 1 1.00
0.2740000 1.0000000
G 1 1.00
0.5430000 1.0000000
****
He 0
S 4 1.00
1145.0000000 0.0003590
171.7000000 0.0027710
39.0700000 0.0142510
11.0400000 0.0555660
S 1 1.00
3.5660000 1.0000000
S 1 1.00
1.2400000 1.0000000
S 1 1.00
0.4473000 1.0000000
S 1 1.00
0.1640000 1.0000000
P 1 1.00
10.1530000 1.0000000
P 1 1.00
3.6270000 1.0000000
P 1 1.00
1.2960000 1.0000000
P 1 1.00
0.4630000 1.0000000
D 1 1.00
7.6660000 1.0000000
D 1 1.00
2.6470000 1.0000000
D 1 1.00
0.9140000 1.0000000
F 1 1.00
5.4110000 1.0000000
F 1 1.00
1.7070000 1.0000000
G 1 1.00
3.4300000 1.0000000
S 1 1.00
0.0466400 1.0000000
P 1 1.00
0.1400000 1.0000000
D 1 1.00
0.2892000 1.0000000
F 1 1.00
0.5345000 1.0000000
G 1 1.00
0.7899000 1.0000000
****
B 0
S 10 1.00
68260.0000000 0.0000240
10230.0000000 0.0001850
2328.0000000 0.0009700
660.4000000 0.0040560
216.2000000 0.0143990
78.6000000 0.0439010
30.9800000 0.1130570
12.9600000 0.2338250
5.6590000 0.3539600
2.5560000 0.3015470
S 10 1.00
68260.0000000 -0.0000050
10230.0000000 -0.0000370
2328.0000000 -0.0001960
660.4000000 -0.0008240
216.2000000 -0.0029230
78.6000000 -0.0091380
30.9800000 -0.0241050
12.9600000 -0.0547550
5.6590000 -0.0969430
2.5560000 -0.1374850
S 1 1.00
1.1750000 1.0000000
S 1 1.00
0.4249000 1.0000000
S 1 1.00
0.1712000 1.0000000
S 1 1.00
0.0691300 1.0000000
P 4 1.00
66.4400000 0.0008380
15.7100000 0.0064090
4.9360000 0.0280810
1.7700000 0.0921520
P 1 1.00
0.7008000 1.0000000
P 1 1.00
0.2901000 1.0000000
P 1 1.00
0.1211000 1.0000000
P 1 1.00
0.0497300 1.0000000
D 1 1.00
2.0100000 1.0000000
D 1 1.00
0.7960000 1.0000000
D 1 1.00
0.3160000 1.0000000
D 1 1.00
0.1250000 1.0000000
F 1 1.00
1.2150000 1.0000000
F 1 1.00
0.5250000 1.0000000
F 1 1.00
0.2270000 1.0000000
G 1 1.00
1.1240000 1.0000000
G 1 1.00
0.4610000 1.0000000
H 1 1.00
0.8340000 1.0000000
S 1 1.00
0.0261000 1.0000000
P 1 1.00
0.0157000 1.0000000
D 1 1.00
0.0431000 1.0000000
F 1 1.00
0.0843000 1.0000000
G 1 1.00
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7202.0000000 0.0010560
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666.4000000 0.0157660
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****
Ne 0
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829.9000000 0.0156490
301.5000000 0.0477580
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****
Al 0
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111400.0000000 0.875168D-04
31560.0000000 0.368990D-03
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111400.0000000 0.525480D-05
31560.0000000 0.221450D-04
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****
Si 0
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134500.0000000 0.833590D-04
38120.0000000 0.351361D-03
12460.0000000 0.127660D-02
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134500.0000000 0.568628D-05
38120.0000000 0.239537D-04
12460.0000000 0.872409D-04
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421.8000000 0.174937D-02
136.7000000 0.948141D-02
51.8100000 0.372313D-01
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****
P 0
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159000.0000000 0.600568D-05
45040.0000000 0.253427D-04
14720.0000000 0.921606D-04
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154.4000000 0.101742D-01
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****
S 0
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1.642260E+03 1.150000E-04
6.940660E+02 4.920000E-04
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2.810200E-01 1.222472E+00
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5.345900E-02 -9.345890E-01
P 18 1.00
1.374170E+04 -6.000000E-06
4.365400E+03 -2.400000E-05
1.642260E+03 -1.730000E-04
6.940660E+02 -4.550000E-04
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2.810200E-01 -9.436110E-01
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2.264880E-01 2.690060E-01
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2.264880E-01 7.430280E-01
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9.963460E+00 -1.219320E-01
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2.264880E-01 -2.138243E+00
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****
Ti 0
S 27 1.00
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2.19562E+07 4.715986E-07
4.90233E+06 2.73436E-06
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0.1058110 1.652837E-05
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4.90233E+06 3.131603E-07
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5.41227E+06 -3.092592E-07
1.44792E+06 -1.452906E-06
448199.0000000 -5.46589E-06
155899.0000000 -1.924479E-05
59479.6000000 -5.626566E-05
24408.1000000 -0.0001681395
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4823.0800000 -0.001138751
2274.0800000 -0.002509533
1104.5400000 -0.006353116
550.0990000 -0.0121576
280.0100000 -0.0275123
145.3300000 -0.03944079
76.7551000 -0.06872967
41.1594000 -0.01402938
22.3445000 0.01289964
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6.7077700 0.4154218
3.6569400 -0.0960278
1.9597800 -2.3056310
1.0175800 1.0185750
0.5129130 2.8776730
0.1947980 -4.9333520
0.1109690 2.0626700
0.0521230 2.3161840
S 27 1.00
1.35540E+08 -1.001431E-08
2.42404E+07 -6.926624E-08
5.41227E+06 -3.815845E-07
1.44792E+06 -1.858014E-06
448199.0000000 -6.687E-06
155899.0000000 -2.484929E-05
59479.6000000 -6.793021E-05
24408.1000000 -0.000219938
10607.0000000 -0.0004963362
4823.0800000 -0.001510983
2274.0800000 -0.002926739
1104.5400000 -0.008574245
550.0990000 -0.01384885
280.0100000 -0.03834684
145.3300000 -0.04190377
76.7551000 -0.1070907
41.1594000 0.02132387
22.3445000 -0.05710773
12.2293000 0.7753646
6.7077700 0.4421097
3.6569400 -0.6606407
1.9597800 -4.4525940
1.0175800 8.6920940
0.5129130 -5.9392790
0.1947980 -0.8400572
0.1109690 5.7181160
0.0521230 -5.7941660
S 1 1.00
0.0244890 1.0000000
P 19 1.00
72029.6000000 0.0000030
17890.9000000 0.0000220
5678.2800000 0.0001370
2138.7500000 0.0006440
905.8550000 0.0025110
415.6450000 0.0084470
201.6950000 0.0248620
102.0400000 0.0637050
53.3955000 0.1366080
28.7570000 0.2321020
15.8536000 0.3023570
8.8638500 0.2683220
4.9433400 0.1288470
2.6973200 0.0240140
1.4364300 -0.0002360
0.7485180 -0.0012910
0.3733100 -0.0005730
0.1577120 -0.0000330
0.0674840 -0.0000070
P 19 1.00
72029.6000000 -0.0000010
17890.9000000 -0.0000080
5678.2800000 -0.0000470
2138.7500000 -0.0002230
905.8550000 -0.0008720
415.6450000 -0.0029470
201.6950000 -0.0087710
102.0400000 -0.0229140
53.3955000 -0.0506670
28.7570000 -0.0891160
15.8536000 -0.1223120
8.8638500 -0.1067880
4.9433400 0.0326180
2.6973200 0.2616090
1.4364300 0.4013360
0.7485180 0.3272510
0.3733100 0.1195440
0.1577120 0.0105100
0.0674840 0.0002930
P 18 1.00
17890.9000000 -0.0000020
5678.2800000 -0.0000110
2138.7500000 -0.0000520
905.8550000 -0.0002070
415.6450000 -0.0006930
201.6950000 -0.0020820
102.0400000 -0.0054050
53.3955000 -0.0120940
28.7570000 -0.0210980
15.8536000 -0.0296980
8.8638500 -0.0250470
4.9433400 0.0102820
2.6973200 0.0768880
1.4364300 0.1173220
0.7485180 0.1163280
0.3733100 -0.0450520
0.1577120 -0.3724610
0.0674840 -0.5207620
P 18 1.00
17890.9000000 0.0000020
5678.2800000 0.0000140
2138.7500000 0.0000670
905.8550000 0.0002620
415.6450000 0.0008810
201.6950000 0.0026350
102.0400000 0.0068590
53.3955000 0.0152810
28.7570000 0.0268000
15.8536000 0.0374690
8.8638500 0.0322580
4.9433400 -0.0124160
2.6973200 -0.0943420
1.4364300 -0.1479450
0.7485180 -0.1595740
0.3733100 0.0422640
0.1577120 0.6008800
0.0674840 0.4537120
P 19 1.00
72029.6000000 0.0000010
17890.9000000 0.0000050
5678.2800000 0.0000310
2138.7500000 0.0001350
905.8550000 0.0005720
415.6450000 0.0017920
201.6950000 0.0057550
102.0400000 0.0139210
53.3955000 0.0336600
28.7570000 0.0533400
15.8536000 0.0883240
8.8638500 0.0606720
4.9433400 -0.0055130
2.6973200 -0.2993800
1.4364300 -0.4021920
0.7485180 -0.1927060
0.3733100 1.2394070
0.1577120 0.1442260
0.0674840 -0.8307840
P 19 1.00
72029.6000000 0.0000010
17890.9000000 0.0000070
5678.2800000 0.0000350
2138.7500000 0.0002020
905.8550000 0.0006460
415.6450000 0.0026650
201.6950000 0.0064930
102.0400000 0.0208730
53.3955000 0.0366920
28.7570000 0.0863130
15.8536000 0.0825040
8.8638500 0.1830400
4.9433400 -0.1524300
2.6973200 -0.4989330
1.4364300 -0.9010930
0.7485180 1.9311390
0.3733100 -0.0082870
0.1577120 -1.7252310
0.0674840 1.1431100
P 19 1.00
72029.6000000 -0.0000010
17890.9000000 -0.0000070
5678.2800000 -0.0000590
2138.7500000 -0.0002150
905.8550000 -0.0010750
415.6450000 -0.0028710
201.6950000 -0.0108850
102.0400000 -0.0224070
53.3955000 -0.0655250
28.7570000 -0.0817190
15.8536000 -0.1939850
8.8638500 -0.1416950
4.9433400 0.2081580
2.6973200 1.6488430
1.4364300 -1.4462180
0.7485180 -1.8462910
0.3733100 3.6358120
0.1577120 -2.7449690
0.0674840 0.9609530
P 1 1.00
0.0285950 1.0000000
D 11 1.00
384.3240000 0.0001660
115.6210000 0.0015330
44.8478000 0.0082730
19.6129000 0.0296280
9.1008300 0.0804320
4.4183200 0.1682550
2.1828700 0.2573470
1.0684000 0.3013010
0.5106240 0.2754300
0.2351410 0.1820770
0.1028360 0.0675340
D 11 1.00
384.3240000 -0.0001870
115.6210000 -0.0017360
44.8478000 -0.0094250
19.6129000 -0.0339690
9.1008300 -0.0949620
4.4183200 -0.1972130
2.1828700 -0.2639680
1.0684000 -0.1771220
0.5106240 0.1388050
0.2351410 0.4526330
0.1028360 0.3742040
D 11 1.00
384.3240000 -0.0002700
115.6210000 -0.0024910
44.8478000 -0.0136900
19.6129000 -0.0497520
9.1008300 -0.1445960
4.4183200 -0.2922080
2.1828700 -0.2774690
1.0684000 0.2057700
0.5106240 0.6868800
0.2351410 0.0068000
0.1028360 -0.6314930
D 11 1.00
384.3240000 -0.0003980
115.6210000 -0.0034880
44.8478000 -0.0202480
19.6129000 -0.0719540
9.1008300 -0.2362580
4.4183200 -0.4094040
2.1828700 0.0167400
1.0684000 1.0070320
0.5106240 -0.2422900
0.2351410 -1.0046230
0.1028360 0.6909580
D 11 1.00
384.3240000 0.0004530
115.6210000 0.0048530
44.8478000 0.0241550
19.6129000 0.1054670
9.1008300 0.3238140
4.4183200 0.4542210
2.1828700 -1.0093700
1.0684000 -0.3428410
0.5106240 1.8302970
0.2351410 -1.6316990
0.1028360 0.3024500
D 1 1.00
0.0414250 1.0000000
F 1 1.00
5.6236000 1.0000000
F 1 1.00
1.9039000 1.0000000
F 1 1.00
0.6445000 1.0000000
F 1 1.00
0.2182000 1.0000000
G 1 1.00
4.1121000 1.0000000
G 1 1.00
1.3325000 1.0000000
G 1 1.00
0.4318000 1.0000000
H 1 1.00
3.0067000 1.0000000
H 1 1.00
0.8770000 1.0000000
I 1 1.00
2.1131000 1.0000000
S 1 1.00
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P 1 1.00
0.0121200 1.0000000
D 1 1.00
0.0166900 1.0000000
F 1 1.00
0.0710200 1.0000000
G 1 1.00
0.1482600 1.0000000
H 1 1.00
0.3265100 1.0000000
I 1 1.00
0.8588900 1.0000000
****
Mn 0
S 27 1.00
1.37766E+08 8.842975E-08
2.45640E+07 5.905615E-07
5.47999E+06 3.42133E-06
1.46664E+06 1.566036E-05
454421.0000000 6.063846E-05
158216.0000000 0.0002053663
60404.3000000 0.000627818
24793.6000000 0.001771534
10772.3000000 0.004687682
4895.5400000 0.01172341
2306.5600000 0.02769121
1119.5600000 0.06096465
557.3810000 0.1213985
283.7780000 0.2067236
147.4360000 0.2716552
78.0227000 0.2296262
41.9679000 0.09993531
22.8778000 0.04335678
12.5845000 0.07097637
6.9417000 0.06195771
3.8062900 0.01878693
2.0503100 0.001455711
1.0683800 -5.045613E-05
0.5366060 -8.380837E-05
0.1832600 -9.776338E-07
0.1052970 9.779516E-06
0.0514640 1.146026E-05
S 27 1.00
1.37766E+08 -4.218706E-08
2.45640E+07 -2.817388E-07
5.47999E+06 -1.632223E-06
1.46664E+06 -7.471311E-06
454421.0000000 -2.893181E-05
158216.0000000 -9.800407E-05
60404.3000000 -0.0002997548
24793.6000000 -0.0008468121
10772.3000000 -0.002246523
4895.5400000 -0.005649008
2306.5600000 -0.01349329
1119.5600000 -0.03037651
557.3810000 -0.06317168
283.7780000 -0.1169586
147.4360000 -0.1804917
78.0227000 -0.1999569
41.9679000 -0.09135649
22.8778000 0.1705224
12.5845000 0.4562984
6.9417000 0.4058134
3.8062900 0.1228205
2.0503100 0.009020458
1.0683800 -0.001825436
0.5366060 -0.001093262
0.1832600 -8.298619E-05
0.1052970 0.0001053172
0.0514640 5.625668E-05
S 27 1.00
1.37766E+08 1.015457E-08
2.45640E+07 6.782945E-08
5.47999E+06 3.928614E-07
1.46664E+06 1.798871E-06
454421.0000000 6.963577E-06
158216.0000000 2.360275E-05
60404.3000000 7.217248E-05
24793.6000000 0.0002041835
10772.3000000 0.0005421183
4895.5400000 0.001369241
2306.5600000 0.003290005
1119.5600000 0.007518812
557.3810000 0.01602116
283.7780000 0.03113189
147.4360000 0.05187931
78.0227000 0.0645544
41.9679000 0.03109453
22.8778000 -0.08134397
12.5845000 -0.2830847
6.9417000 -0.3683282
3.8062900 -0.05599023
2.0503100 0.4285509
1.0683800 0.5819623
0.5366060 0.2496080
0.1832600 0.01728022
0.1052970 -0.004795031
0.0514640 0.003440433
S 27 1.00
1.37766E+08 -2.246625E-09
2.45640E+07 -1.500767E-08
5.47999E+06 -8.691633E-08
1.46664E+06 -3.980171E-07
454421.0000000 -1.540586E-06
158216.0000000 -5.222482E-06
60404.3000000 -1.596671E-05
24793.6000000 -4.518135E-05
10772.3000000 -0.0001199336
4895.5400000 -0.0003030247
2306.5600000 -0.0007279695
1119.5600000 -0.001664739
557.3810000 -0.003547631
283.7780000 -0.00690479
147.4360000 -0.01152342
78.0227000 -0.01441381
41.9679000 -0.006961783
22.8778000 0.01838929
12.5845000 0.0665831
6.9417000 0.09026754
3.8062900 0.01114062
2.0503100 -0.1232779
1.0683800 -0.2094592
0.5366060 -0.1925129
0.1832600 0.0752431
0.1052970 0.4096457
0.0514640 0.5138881
S 27 1.00
1.37766E+08 -4.534252E-09
2.45640E+07 -3.003406E-08
5.47999E+06 -1.758309E-07
1.46664E+06 -7.947986E-07
454421.0000000 -3.125609E-06
158216.0000000 -1.039025E-05
60404.3000000 -3.253639E-05
24793.6000000 -8.943434E-05
10772.3000000 -0.0002457164
4895.5400000 -0.0005964197
2306.5600000 -0.001500461
1119.5600000 -0.003255209
557.3810000 -0.007379623
283.7780000 -0.01333239
147.4360000 -0.02461735
78.0227000 -0.02607861
41.9679000 -0.02088826
22.8778000 0.05123107
12.5845000 0.1130295
6.9417000 0.2466771
3.8062900 -0.06508546
2.0503100 -0.2324403
1.0683800 -0.7884686
0.5366060 0.2571250
0.1832600 1.4735000
0.1052970 -0.01641997
0.0514640 -0.6176794
S 27 1.00
1.37766E+08 -7.148E-09
2.45640E+07 -4.720068E-08
5.47999E+06 -2.774238E-07
1.46664E+06 -1.248083E-06
454421.0000000 -4.936711E-06
158216.0000000 -1.629371E-05
60404.3000000 -5.147115E-05
24793.6000000 -0.0001399872
10772.3000000 -0.0003894882
4895.5400000 -0.0009316701
2306.5600000 -0.002384126
1119.5600000 -0.005075251
557.3810000 -0.01177533
283.7780000 -0.02073168
147.4360000 -0.03978041
78.0227000 -0.0398361
41.9679000 -0.03723219
22.8778000 0.09006454
12.5845000 0.1833979
6.9417000 0.4676477
3.8062900 -0.2128283
2.0503100 -0.7680324
1.0683800 -1.2496170
0.5366060 2.4127970
0.1832600 0.7227795
0.1052970 -2.5218430
0.0514640 0.3302503
S 27 1.00
1.37766E+08 8.949441E-09
2.45640E+07 6.11075E-08
5.47999E+06 3.441033E-07
1.46664E+06 1.62958E-06
454421.0000000 6.052563E-06
158216.0000000 2.158213E-05
60404.3000000 6.199578E-05
24793.6000000 0.0001890931
10772.3000000 0.0004590406
4895.5400000 0.001286601
2306.5600000 0.002744429
1119.5600000 0.007197225
557.3810000 0.01311149
283.7780000 0.03103962
147.4360000 0.04028608
78.0227000 0.07611996
41.9679000 -0.003929039
22.8778000 -0.008212308
12.5845000 -0.5082019
6.9417000 -0.3343452
3.8062900 0.08969441
2.0503100 2.7884720
1.0683800 -2.2387070
0.5366060 -1.6215140
0.1832600 5.0502260
0.1052970 -3.4580400
0.0514640 -1.2850680
S 27 1.00
1.37766E+08 -1.066381E-08
2.45640E+07 -7.316027E-08
5.47999E+06 -4.095669E-07
1.46664E+06 -1.952973E-06
454421.0000000 -7.192587E-06
158216.0000000 -2.591346E-05
60404.3000000 -7.34907E-05
24793.6000000 -0.0002276235
10772.3000000 -0.0005425268
4895.5400000 -0.001553473
2306.5600000 -0.003235321
1119.5600000 -0.008728688
557.3810000 -0.01543349
283.7780000 -0.03803991
147.4360000 -0.04719394
78.0227000 -0.09654593
41.9679000 0.01102053
22.8778000 0.002268643
12.5845000 0.7235714
6.9417000 0.6284262
3.8062900 -1.3868730
2.0503100 -3.6182300
1.0683800 8.7472240
0.5366060 -6.9446930
0.1832600 1.9204040
0.1052970 2.7673240
0.0514640 -4.8034180
S 1 1.00
0.0246780 1.0000000
P 19 1.00
79296.8000000 0.0000030
19317.1000000 0.0000230
6114.1000000 0.0001400
2316.2600000 0.0006490
989.6900000 0.0024900
457.9420000 0.0082780
223.6420000 0.0242560
113.5940000 0.0622630
59.5621000 0.1344250
32.1072000 0.2305460
17.7103000 0.3028020
9.9062100 0.2709290
5.5224300 0.1311240
3.0083200 0.0238760
1.5987300 -0.0013330
0.8308680 -0.0022010
0.4135380 -0.0008920
0.1711080 -0.0000580
0.0721660 -0.0000060
P 19 1.00
79296.8000000 -0.0000010
19317.1000000 -0.0000080
6114.1000000 -0.0000490
2316.2600000 -0.0002260
989.6900000 -0.0008670
457.9420000 -0.0028990
223.6420000 -0.0085880
113.5940000 -0.0224810
59.5621000 -0.0500630
32.1072000 -0.0890050
17.7103000 -0.1231560
9.9062100 -0.1081330
5.5224300 0.0330910
3.0083200 0.2649160
1.5987300 0.4034830
0.8308680 0.3248540
0.4135380 0.1174300
0.1711080 0.0101160
0.0721660 0.0001390
P 18 1.00
19317.1000000 -0.0000020
6114.1000000 -0.0000110
2316.2600000 -0.0000520
989.6900000 -0.0002010
457.9420000 -0.0006640
223.6420000 -0.0019890
113.5940000 -0.0051630
59.5621000 -0.0116530
32.1072000 -0.0204990
17.7103000 -0.0291510
9.9062100 -0.0246150
5.5224300 0.0097150
3.0083200 0.0754410
1.5987300 0.1132040
0.8308680 0.1117760
0.4135380 -0.0440690
0.1711080 -0.3663240
0.0721660 -0.5217500
P 18 1.00
19317.1000000 0.0000020
6114.1000000 0.0000150
2316.2600000 0.0000690
989.6900000 0.0002680
457.9420000 0.0008870
223.6420000 0.0026510
113.5940000 0.0068870
59.5621000 0.0155180
32.1072000 0.0273590
17.7103000 0.0388620
9.9062100 0.0331240
5.5224300 -0.0123220
3.0083200 -0.0993820
1.5987300 -0.1521070
0.8308680 -0.1564310
0.4135380 0.0650050
0.1711080 0.6060200
0.0721660 0.4366030
P 19 1.00
79296.8000000 0.0000010
19317.1000000 0.0000050
6114.1000000 0.0000340
2316.2600000 0.0001430
989.6900000 0.0005980
457.9420000 0.0018360
223.6420000 0.0059260
113.5940000 0.0142470
59.5621000 0.0349660
32.1072000 0.0555390
17.7103000 0.0932280
9.9062100 0.0637480
5.5224300 -0.0048200
3.0083200 -0.3313960
1.5987300 -0.4086080
0.8308680 -0.1206320
0.4135380 1.2130530
0.1711080 0.0834220
0.0721660 -0.7984570
P 19 1.00
79296.8000000 0.0000010
19317.1000000 0.0000080
6114.1000000 0.0000380
2316.2600000 0.0002180
989.6900000 0.0006870
457.9420000 0.0028050
223.6420000 0.0068190
113.5940000 0.0219170
59.5621000 0.0391730
32.1072000 0.0916730
17.7103000 0.0889890
9.9062100 0.1938430
5.5224300 -0.1670910
3.0083200 -0.6030080
1.5987300 -0.7469800
0.8308680 1.9864650
0.4135380 -0.2640370
0.1711080 -1.5278200
0.0721660 1.1102770
P 19 1.00
79296.8000000 -0.0000010
19317.1000000 -0.0000090
6114.1000000 -0.0000610
2316.2600000 -0.0002580
989.6900000 -0.0010900
457.9420000 -0.0033360
223.6420000 -0.0108790
113.5940000 -0.0262170
59.5621000 -0.0651420
32.1072000 -0.1036590
17.7103000 -0.1798150
9.9062100 -0.2372120
5.5224300 0.4289330
3.0083200 1.7159450
1.5987300 -2.1889430
0.8308680 -0.7886070
0.4135380 2.9045500
0.1711080 -2.4975380
0.0721660 0.9969160
P 1 1.00
0.0301650 1.0000000
D 11 1.00
435.1000000 0.0001640
130.9820000 0.0015220
50.8816000 0.0082730
22.3008000 0.0300090
10.3552000 0.0825800
5.0152100 0.1735770
2.4679300 0.2626510
1.2036900 0.2984790
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435.1000000 -0.0003350
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435.1000000 0.0004280
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****
Fe 0
S 27 1.00
1.49769E+08 8.65756E-08
2.67225E+07 5.77912E-07
5.95900E+06 3.351645E-06
1.59361E+06 1.535765E-05
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2.67225E+07 -2.981708E-07
5.95900E+06 -1.729284E-06
1.59361E+06 -7.923933E-06
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S 27 1.00
1.49769E+08 1.025471E-08
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5.95900E+06 3.96979E-07
1.59361E+06 1.819651E-06
493464.0000000 7.047651E-06
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1.49769E+08 -2.217427E-09
2.67225E+07 -1.480595E-08
5.95900E+06 -8.583901E-08
1.59361E+06 -3.93507E-07
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26965.6000000 -4.451792E-05
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S 27 1.00
1.49769E+08 -4.424824E-09
2.67225E+07 -2.930792E-08
5.95900E+06 -1.71671E-07
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S 27 1.00
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2.67225E+07 -4.824191E-08
5.95900E+06 -2.839212E-07
1.59361E+06 -1.27829E-06
493464.0000000 -5.060659E-06
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S 27 1.00
1.49769E+08 9.015017E-09
2.67225E+07 6.106675E-08
5.95900E+06 3.475829E-07
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493464.0000000 6.139742E-06
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S 27 1.00
1.49769E+08 -1.054576E-08
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5.95900E+06 -4.07978E-07
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S 1 1.00
0.0255710 1.0000000
P 19 1.00
86947.3000000 0.0000020
21254.0000000 0.0000220
6741.1400000 0.0001370
2557.1600000 0.0006330
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86947.3000000 -0.0000010
21254.0000000 -0.0000080
6741.1400000 -0.0000480
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21254.0000000 0.0000020
6741.1400000 0.0000110
2557.1600000 0.0000490
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506.1610000 0.0006290
247.1390000 0.0018960
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21254.0000000 0.0000030
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2557.1600000 0.0000720
1093.5100000 0.0002850
506.1610000 0.0009310
247.1390000 0.0028370
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P 19 1.00
86947.3000000 0.0000010
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6741.1400000 0.0000350
2557.1600000 0.0001480
1093.5100000 0.0006300
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86947.3000000 0.0000010
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6741.1400000 0.0000390
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P 19 1.00
86947.3000000 0.0000010
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6741.1400000 0.0000570
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506.1610000 0.0038480
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0.0311470 1.0000000
D 11 1.00
489.1150000 0.0001610
147.2080000 0.0015040
57.1278000 0.0082640
25.0429000 0.0303080
11.6672000 0.0833100
5.6825000 0.1734770
2.8132500 0.2614830
1.3773300 0.2996800
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489.1150000 -0.0001770
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57.1278000 -0.0091670
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11.6672000 -0.0952530
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1.3773300 -0.1618990
0.6565340 0.1633340
0.3007000 0.4360160
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D 11 1.00
489.1150000 0.0002550
147.2080000 0.0024170
57.1278000 0.0133600
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11.6672000 0.1462150
5.6825000 0.3074050
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0.6565340 -0.6319990
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489.1150000 -0.0003430
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57.1278000 -0.0182450
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1.3773300 1.0166160
0.6565340 -0.3807830
0.3007000 -0.8475000
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489.1150000 -0.0004800
147.2080000 -0.0041140
57.1278000 -0.0251280
25.0429000 -0.0908760
11.6672000 -0.3569300
5.6825000 -0.4983040
2.8132500 1.2870220
1.3773300 -0.1020050
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I 1 1.00
1.4049900 1.0000000
****
Co 0
S 27 1.00
1.61030E+08 8.662183E-08
2.87558E+07 5.771763E-07
6.42324E+06 3.338777E-06
1.72120E+06 1.525639E-05
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0.6312340 -6.718433E-05
0.2152970 -7.1786E-07
0.1185100 6.03256E-06
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S 27 1.00
1.61030E+08 -4.556183E-08
2.87558E+07 -3.035847E-07
6.42324E+06 -1.756166E-06
1.72120E+06 -8.024821E-06
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92.6434000 -0.2115468
49.7576000 -0.09922228
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14.8610000 0.4619215
8.1812100 0.3996247
4.4794100 0.1162798
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1.2584400 -0.001265293
0.6312340 -0.0007648586
0.2152970 -6.404352E-05
0.1185100 6.372632E-05
0.0572090 1.662965E-05
S 27 1.00
1.61030E+08 1.041562E-08
2.87558E+07 6.941461E-08
6.42324E+06 4.01447E-07
1.72120E+06 1.835009E-06
533994.0000000 7.090429E-06
186194.0000000 2.398084E-05
71201.7000000 7.316286E-05
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8.1812100 -0.3720681
4.4794100 -0.03313281
2.4119100 0.4476713
1.2584400 0.5711223
0.6312340 0.2346370
0.2152970 0.01505834
0.1185100 -0.003444353
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S 27 1.00
1.61030E+08 -2.200797E-09
2.87558E+07 -1.46685E-08
6.42324E+06 -8.482259E-08
1.72120E+06 -3.877784E-07
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92.6434000 -0.01427562
49.7576000 -0.007134768
27.0728000 0.01848341
14.8610000 0.06724484
8.1812100 0.08704356
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2.4119100 -0.1238556
1.2584400 -0.1989520
0.6312340 -0.1759940
0.2152970 0.0794452
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S 27 1.00
1.61030E+08 -4.305752E-09
2.87558E+07 -2.848385E-08
6.42324E+06 -1.662977E-07
1.72120E+06 -7.515459E-07
533994.0000000 -2.944684E-06
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****
Zn 0
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****
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****
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****
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