/usr/share/psi/basis/jun-cc-pvdz.gbs is in psi4-data 1:0.3-5.
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!
! cc-pVDZ EMSL Basis Set Exchange Library 5/17/11 11:50 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).
! Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005),
! N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 125, 074110 (2006)
! Ca : J. Koput and K.A. Peterson, J. Phys. Chem. A, 106, 9595 (2002).
!
!
! aug-cc-pVDZ Diffuse EMSL Basis Set Exchange Library 5/17/11 12:08 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),
! N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 125, 074110 (2006).
!
!
! merged from cc-pvdz.gbs and hold-diffuse-jun-cc-pvdz.gbs at Sun, 02:39 Aug 14, 2011
!
****
H 0
S 3 1.00
13.0100000 0.0196850
1.9620000 0.1379770
0.4446000 0.4781480
S 1 1.00
0.1220000 1.0000000
P 1 1.00
0.7270000 1.0000000
****
He 0
S 3 1.00
38.3600000 0.0238090
5.7700000 0.1548910
1.2400000 0.4699870
S 1 1.00
0.2976000 1.0000000
P 1 1.00
1.2750000 1.0000000
****
Li 0
S 8 1.00
1469.0000000 0.0007660
220.5000000 0.0058920
50.2600000 0.0296710
14.2400000 0.1091800
4.5810000 0.2827890
1.5800000 0.4531230
0.5640000 0.2747740
0.0734500 0.0097510
S 8 1.00
1469.0000000 -0.0001200
220.5000000 -0.0009230
50.2600000 -0.0046890
14.2400000 -0.0176820
4.5810000 -0.0489020
1.5800000 -0.0960090
0.5640000 -0.1363800
0.0734500 0.5751020
S 1 1.00
0.0280500 1.0000000
P 3 1.00
1.5340000 0.0227840
0.2749000 0.1391070
0.0736200 0.5003750
P 1 1.00
0.0240300 1.0000000
D 1 1.00
0.1239000 1.0000000
S 1 1.00
0.0086400 1.0000000
P 1 1.00
0.0057900 1.0000000
****
Be 0
S 8 1.00
2940.0000000 0.0006800
441.2000000 0.0052360
100.5000000 0.0266060
28.4300000 0.0999930
9.1690000 0.2697020
3.1960000 0.4514690
1.1590000 0.2950740
0.1811000 0.0125870
S 8 1.00
2940.0000000 -0.0001230
441.2000000 -0.0009660
100.5000000 -0.0048310
28.4300000 -0.0193140
9.1690000 -0.0532800
3.1960000 -0.1207230
1.1590000 -0.1334350
0.1811000 0.5307670
S 1 1.00
0.0589000 1.0000000
P 3 1.00
3.6190000 0.0291110
0.7110000 0.1693650
0.1951000 0.5134580
P 1 1.00
0.0601800 1.0000000
D 1 1.00
0.2380000 1.0000000
S 1 1.00
0.0187700 1.0000000
P 1 1.00
0.0085000 1.0000000
****
B 0
S 8 1.00
4570.0000000 0.0006960
685.9000000 0.0053530
156.5000000 0.0271340
44.4700000 0.1013800
14.4800000 0.2720550
5.1310000 0.4484030
1.8980000 0.2901230
0.3329000 0.0143220
S 8 1.00
4570.0000000 -0.0001390
685.9000000 -0.0010970
156.5000000 -0.0054440
44.4700000 -0.0219160
14.4800000 -0.0597510
5.1310000 -0.1387320
1.8980000 -0.1314820
0.3329000 0.5395260
S 1 1.00
0.1043000 1.0000000
P 3 1.00
6.0010000 0.0354810
1.2410000 0.1980720
0.3364000 0.5052300
P 1 1.00
0.0953800 1.0000000
D 1 1.00
0.3430000 1.0000000
S 1 1.00
0.0310500 1.0000000
P 1 1.00
0.0237800 1.0000000
****
C 0
S 8 1.00
6665.0000000 0.0006920
1000.0000000 0.0053290
228.0000000 0.0270770
64.7100000 0.1017180
21.0600000 0.2747400
7.4950000 0.4485640
2.7970000 0.2850740
0.5215000 0.0152040
S 8 1.00
6665.0000000 -0.0001460
1000.0000000 -0.0011540
228.0000000 -0.0057250
64.7100000 -0.0233120
21.0600000 -0.0639550
7.4950000 -0.1499810
2.7970000 -0.1272620
0.5215000 0.5445290
S 1 1.00
0.1596000 1.0000000
P 3 1.00
9.4390000 0.0381090
2.0020000 0.2094800
0.5456000 0.5085570
P 1 1.00
0.1517000 1.0000000
D 1 1.00
0.5500000 1.0000000
S 1 1.00
0.0469000 1.0000000
P 1 1.00
0.0404100 1.0000000
****
N 0
S 8 1.00
9046.0000000 0.0007000
1357.0000000 0.0053890
309.3000000 0.0274060
87.7300000 0.1032070
28.5600000 0.2787230
10.2100000 0.4485400
3.8380000 0.2782380
0.7466000 0.0154400
S 8 1.00
9046.0000000 -0.0001530
1357.0000000 -0.0012080
309.3000000 -0.0059920
87.7300000 -0.0245440
28.5600000 -0.0674590
10.2100000 -0.1580780
3.8380000 -0.1218310
0.7466000 0.5490030
S 1 1.00
0.2248000 1.0000000
P 3 1.00
13.5500000 0.0399190
2.9170000 0.2171690
0.7973000 0.5103190
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0.2185000 1.0000000
D 1 1.00
0.8170000 1.0000000
S 1 1.00
0.0612400 1.0000000
P 1 1.00
0.0561100 1.0000000
****
O 0
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11720.0000000 0.0007100
1759.0000000 0.0054700
400.8000000 0.0278370
113.7000000 0.1048000
37.0300000 0.2830620
13.2700000 0.4487190
5.0250000 0.2709520
1.0130000 0.0154580
S 8 1.00
11720.0000000 -0.0001600
1759.0000000 -0.0012630
400.8000000 -0.0062670
113.7000000 -0.0257160
37.0300000 -0.0709240
13.2700000 -0.1654110
5.0250000 -0.1169550
1.0130000 0.5573680
S 1 1.00
0.3023000 1.0000000
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17.7000000 0.0430180
3.8540000 0.2289130
1.0460000 0.5087280
P 1 1.00
0.2753000 1.0000000
D 1 1.00
1.1850000 1.0000000
S 1 1.00
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P 1 1.00
0.0685600 1.0000000
****
F 0
S 8 1.00
14710.0000000 0.0007210
2207.0000000 0.0055530
502.8000000 0.0282670
142.6000000 0.1064440
46.4700000 0.2868140
16.7000000 0.4486410
6.3560000 0.2647610
1.3160000 0.0153330
S 8 1.00
14710.0000000 -0.0001650
2207.0000000 -0.0013080
502.8000000 -0.0064950
142.6000000 -0.0266910
46.4700000 -0.0736900
16.7000000 -0.1707760
6.3560000 -0.1123270
1.3160000 0.5628140
S 1 1.00
0.3897000 1.0000000
P 3 1.00
22.6700000 0.0448780
4.9770000 0.2357180
1.3470000 0.5085210
P 1 1.00
0.3471000 1.0000000
D 1 1.00
1.6400000 1.0000000
S 1 1.00
0.0986300 1.0000000
P 1 1.00
0.0850200 1.0000000
****
Ne 0
S 8 1.00
17880.0000000 0.0007380
2683.0000000 0.0056770
611.5000000 0.0288830
173.5000000 0.1085400
56.6400000 0.2909070
20.4200000 0.4483240
7.8100000 0.2580260
1.6530000 0.0150630
S 8 1.00
17880.0000000 -0.0001720
2683.0000000 -0.0013570
611.5000000 -0.0067370
173.5000000 -0.0276630
56.6400000 -0.0762080
20.4200000 -0.1752270
7.8100000 -0.1070380
1.6530000 0.5670500
S 1 1.00
0.4869000 1.0000000
P 3 1.00
28.3900000 0.0460870
6.2700000 0.2401810
1.6950000 0.5087440
P 1 1.00
0.4317000 1.0000000
D 1 1.00
2.2020000 1.0000000
S 1 1.00
0.1230000 1.0000000
P 1 1.00
0.1064000 1.0000000
****
Na 0
S 11 1.00
31700.0000000 0.458878D-03
4755.0000000 0.355070D-02
1082.0000000 0.182618D-01
306.4000000 0.716650D-01
99.5300000 0.212346D+00
35.4200000 0.416203D+00
13.3000000 0.373020D+00
4.3920000 0.625054D-01
1.6760000 -0.624532D-02
0.5889000 0.243374D-02
0.0564000 -0.442381D-03
S 11 1.00
31700.0000000 -0.112162D-03
4755.0000000 -0.868512D-03
1082.0000000 -0.451330D-02
306.4000000 -0.181436D-01
99.5300000 -0.580799D-01
35.4200000 -0.137653D+00
13.3000000 -0.193908D+00
4.3920000 0.858009D-01
1.6760000 0.604419D+00
0.5889000 0.441719D+00
0.0564000 0.130547D-01
S 11 1.00
31700.0000000 0.170160D-04
4755.0000000 0.130693D-03
1082.0000000 0.687784D-03
306.4000000 0.272359D-02
99.5300000 0.895529D-02
35.4200000 0.207832D-01
13.3000000 0.319380D-01
4.3920000 -0.191368D-01
1.6760000 -0.102595D+00
0.5889000 -0.198945D+00
0.0564000 0.655952D+00
S 1 1.00
0.0230700 1.0000000
P 7 1.00
138.1000000 0.579641D-02
32.2400000 0.415756D-01
9.9850000 0.162873D+00
3.4840000 0.359401D+00
1.2310000 0.449988D+00
0.4177000 0.227507D+00
0.0651300 0.808247D-02
P 7 1.00
138.1000000 -0.581531D-03
32.2400000 -0.407306D-02
9.9850000 -0.167937D-01
3.4840000 -0.353268D-01
1.2310000 -0.521971D-01
0.4177000 -0.168359D-01
0.0651300 0.434613D+00
P 1 1.00
0.0205300 1.0000000
D 1 1.00
0.0973000 1.0000000
S 1 1.00
0.0072500 1.0000000
P 1 1.00
0.0063300 1.0000000
****
Mg 0
S 11 1.00
47390.0000000 0.346023D-03
7108.0000000 0.268077D-02
1618.0000000 0.138367D-01
458.4000000 0.551767D-01
149.3000000 0.169660D+00
53.5900000 0.364703D+00
20.7000000 0.406856D+00
8.3840000 0.135089D+00
2.5420000 0.490884D-02
0.8787000 0.286460D-03
0.1077000 0.264590D-04
S 11 1.00
47390.0000000 -0.877839D-04
7108.0000000 -0.674725D-03
1618.0000000 -0.355603D-02
458.4000000 -0.142154D-01
149.3000000 -0.476748D-01
53.5900000 -0.114892D+00
20.7000000 -0.200676D+00
8.3840000 -0.341224D-01
2.5420000 0.570454D+00
0.8787000 0.542309D+00
0.1077000 0.218128D-01
S 11 1.00
47390.0000000 0.169628D-04
7108.0000000 0.129865D-03
1618.0000000 0.688831D-03
458.4000000 0.273533D-02
149.3000000 0.931224D-02
53.5900000 0.223265D-01
20.7000000 0.411195D-01
8.3840000 0.545642D-02
2.5420000 -0.134012D+00
0.8787000 -0.256176D+00
0.1077000 0.605856D+00
S 1 1.00
0.0399900 1.0000000
P 7 1.00
179.9000000 0.538161D-02
42.1400000 0.392418D-01
13.1300000 0.157445D+00
4.6280000 0.358535D+00
1.6700000 0.457226D+00
0.5857000 0.215918D+00
0.1311000 0.664948D-02
P 7 1.00
179.9000000 -0.865948D-03
42.1400000 -0.615978D-02
13.1300000 -0.261519D-01
4.6280000 -0.570647D-01
1.6700000 -0.873906D-01
0.5857000 -0.122990D-01
0.1311000 0.502085D+00
P 1 1.00
0.0411200 1.0000000
D 1 1.00
0.1870000 1.0000000
S 1 1.00
0.0148800 1.0000000
P 1 1.00
0.0093500 1.0000000
****
Al 0
S 11 1.00
64150.0000000 0.290250D-03
9617.0000000 0.225064D-02
2189.0000000 0.116459D-01
620.5000000 0.467377D-01
202.7000000 0.146299D+00
73.1500000 0.330283D+00
28.5500000 0.415861D+00
11.7700000 0.189253D+00
3.3000000 0.115889D-01
1.1730000 -0.128385D-02
0.1752000 0.425883D-03
S 11 1.00
64150.0000000 -0.758048D-04
9617.0000000 -0.581791D-03
2189.0000000 -0.308113D-02
620.5000000 -0.123112D-01
202.7000000 -0.419781D-01
73.1500000 -0.103371D+00
28.5500000 -0.196308D+00
11.7700000 -0.830002D-01
3.3000000 0.541040D+00
1.1730000 0.578796D+00
0.1752000 0.288147D-01
S 11 1.00
64150.0000000 0.175078D-04
9617.0000000 0.134208D-03
2189.0000000 0.712442D-03
620.5000000 0.284330D-02
202.7000000 0.976842D-02
73.1500000 0.241850D-01
28.5500000 0.474993D-01
11.7700000 0.203621D-01
3.3000000 -0.158788D+00
1.1730000 -0.311694D+00
0.1752000 0.620147D+00
S 1 1.00
0.0647300 1.0000000
P 7 1.00
258.8000000 0.406847D-02
60.8900000 0.306815D-01
19.1400000 0.129149D+00
6.8810000 0.320831D+00
2.5740000 0.453815D+00
0.9572000 0.275066D+00
0.2099000 0.190807D-01
P 7 1.00
258.8000000 -0.748053D-03
60.8900000 -0.545796D-02
19.1400000 -0.245371D-01
6.8810000 -0.582138D-01
2.5740000 -0.983756D-01
0.9572000 -0.260064D-01
0.2099000 0.464020D+00
P 1 1.00
0.0598600 1.0000000
D 1 1.00
0.1890000 1.0000000
S 1 1.00
0.0231000 1.0000000
P 1 1.00
0.0153000 1.0000000
****
Si 0
S 11 1.00
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11820.0000000 0.209717D-02
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763.4000000 0.302279D-02
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127900.0000000 0.204986D-04
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4363.0000000 0.833639D-03
1236.0000000 0.339880D-02
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417.6000000 0.525982D-02
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31.0400000 0.164655D+00
11.1900000 0.387322D+00
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145700.0000000 0.236700D-03
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4972.0000000 0.952860D-02
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145700.0000000 0.210457D-04
21840.0000000 0.162565D-03
4972.0000000 0.855463D-03
1408.0000000 0.349745D-02
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453.7000000 0.570555D-02
106.8000000 0.430460D-01
33.7300000 0.176591D+00
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Ga 0
S 13 1.00
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485130.0000000 0.0000245
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3.3018000 0.5864249
1.3314000 0.6726347
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485130.0000000 -0.0000057
72719.0000000 -0.0000440
16552.0000000 -0.0002305
4687.8000000 -0.0009544
1529.1000000 -0.0033055
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3248.6000000 0.0015260
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248.2000000 0.0633742
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3248.6000000 -0.0005803
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6.7918000 0.2355376
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P 10 1.00
3248.6000000 0.0000950
769.9700000 0.0007832
248.2000000 0.0040855
93.3640000 0.0135987
38.2510000 0.0302695
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6.7918000 -0.0423777
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Ge 0
S 13 1.00
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5041.9000000 0.0336649
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593.4300000 0.2735607
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S 13 1.00
521800.0000000 -0.0000638
78214.0000000 -0.0004916
17803.0000000 -0.0026002
5041.9000000 -0.0106080
1644.5000000 -0.0371602
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S 13 1.00
521800.0000000 0.0000246
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17803.0000000 0.0009993
5041.9000000 0.0041200
1644.5000000 0.0143557
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12.4500000 -0.5367983
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S 13 1.00
521800.0000000 -0.0000063
78214.0000000 -0.0000486
17803.0000000 -0.0002553
5041.9000000 -0.0010560
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3568.1000000 0.0014591
845.7200000 0.0122176
272.7400000 0.0610490
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3568.1000000 -0.0005630
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7.5934000 0.2193717
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3568.1000000 0.0001115
845.7200000 0.0009212
272.7400000 0.0048273
102.6800000 0.0162272
42.1480000 0.0366354
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74.7620000 0.0257684
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S 13 1.00
559583.7900000 -0.0000634
83879.3300000 -0.0004883
19092.6680000 -0.0025821
5407.3925000 -0.0105402
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S 13 1.00
559583.7900000 0.0000246
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5407.3925000 0.0041353
1763.7559000 0.0144259
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559583.7900000 -0.0000068
83879.3300000 -0.0000525
19092.6680000 -0.0002756
5407.3925000 -0.0011389
1763.7559000 -0.0039646
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S 1 1.00
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P 10 1.00
3886.3564000 0.0014097
921.2020100 0.0118277
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111.9750800 0.1965115
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3886.3564000 -0.0005519
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111.9750800 -0.0825627
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P 10 1.00
3886.3564000 0.0001236
921.2020100 0.0010240
297.1931900 0.0053805
111.9750800 0.0182443
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Se 0
S 13 1.00
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5786.9000000 0.0330344
1887.3000000 0.1082924
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S 13 1.00
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S 1 1.00
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P 10 1.00
4135.6000000 0.0014127
980.3400000 0.0118588
316.3500000 0.0595153
119.2500000 0.1972201
49.0680000 0.4007439
21.2120000 0.3994740
8.9462000 0.1153364
3.8236000 0.0002219
1.5883000 0.0022838
0.4096900 -0.0004756
P 10 1.00
4135.6000000 -0.0005610
980.3400000 -0.0047340
316.3500000 -0.0243504
119.2500000 -0.0841071
49.0680000 -0.1841384
21.2120000 -0.1735004
8.9462000 0.2167263
3.8236000 0.5850099
1.5883000 0.3416816
0.4096900 0.0199125
P 10 1.00
4135.6000000 0.0001366
980.3400000 0.0011308
316.3500000 0.0059581
119.2500000 0.0201866
49.0680000 0.0461939
21.2120000 0.0394050
8.9462000 -0.0592846
3.8236000 -0.2014663
1.5883000 -0.0687821
0.4096900 0.5595944
P 1 1.00
0.1245900 1.0000000
D 5 1.00
94.4720000 0.0234982
27.1800000 0.1375183
9.5068000 0.3664824
3.4168000 0.4874717
1.1479000 0.2765769
D 1 1.00
0.3682000 1.0000000
S 1 1.00
0.0487470 1.0000000
P 1 1.00
0.0354920 1.0000000
****
Br 0
S 13 1.00
640100.0000000 0.0001984
95938.0000000 0.0015400
21833.0000000 0.0080096
6181.9000000 0.0327341
2015.7000000 0.1074480
727.1000000 0.2688946
283.2800000 0.4204411
115.9100000 0.2838041
36.1240000 0.0315455
15.5320000 -0.0074268
4.7857000 0.0027728
2.0817000 -0.0013635
0.4202800 0.0003812
S 13 1.00
640100.0000000 -0.0000625
95938.0000000 -0.0004816
21833.0000000 -0.0025466
6181.9000000 -0.0104112
2015.7000000 -0.0365179
727.1000000 -0.0996295
283.2800000 -0.2141310
115.9100000 -0.1860911
36.1240000 0.4628261
15.5320000 0.6441141
4.7857000 0.0825502
2.0817000 -0.0149694
0.4202800 0.0035288
S 13 1.00
640100.0000000 0.0000248
95938.0000000 0.0001919
21833.0000000 0.0010100
6181.9000000 0.0041659
2015.7000000 0.0145683
727.1000000 0.0408345
283.2800000 0.0894859
115.9100000 0.0872786
36.1240000 -0.2933644
15.5320000 -0.5667109
4.7857000 0.5105658
2.0817000 0.7477214
0.4202800 0.0421512
S 13 1.00
640100.0000000 -0.0000076
95938.0000000 -0.0000588
21833.0000000 -0.0003092
6181.9000000 -0.0012766
2015.7000000 -0.0044634
727.1000000 -0.0125575
283.2800000 -0.0276145
115.9100000 -0.0273945
36.1240000 0.0964094
15.5320000 0.1976871
4.7857000 -0.2266693
2.0817000 -0.5241165
0.4202800 0.6889865
S 1 1.00
0.1606900 1.0000000
P 10 1.00
4340.8000000 0.0014448
1028.9000000 0.0121288
332.0200000 0.0608077
125.1600000 0.2009358
51.5110000 0.4047419
22.2810000 0.3957151
9.3417000 0.1102213
4.0132000 -0.0009090
1.7002000 0.0024832
0.4719400 -0.0005744
P 10 1.00
4340.8000000 -0.0005819
1028.9000000 -0.0049065
332.0200000 -0.0252514
125.1600000 -0.0869445
51.5110000 -0.1893422
22.2810000 -0.1710882
9.3417000 0.2368755
4.0132000 0.5898400
1.7002000 0.3171944
0.4719400 0.0179833
P 10 1.00
4340.8000000 0.0001518
1028.9000000 0.0012563
332.0200000 0.0066224
125.1600000 0.0223816
51.5110000 0.0509717
22.2810000 0.0414009
9.3417000 -0.0703970
4.0132000 -0.2232540
1.7002000 -0.0564179
0.4719400 0.5808079
P 1 1.00
0.1442100 1.0000000
D 5 1.00
104.8300000 0.0226583
30.2720000 0.1345895
10.6490000 0.3647181
3.8696000 0.4904196
1.3239000 0.2713885
D 1 1.00
0.4098000 1.0000000
S 1 1.00
0.0569460 1.0000000
P 1 1.00
0.0410490 1.0000000
****
Kr 0
S 13 1.00
681358.8200000 0.0001969
102126.4800000 0.0015286
23243.7100000 0.0079500
6582.0073000 0.0324938
2146.4286000 0.1067240
774.3378200 0.2675701
301.6702000 0.4201851
123.4118400 0.2858015
38.5675510 0.0322461
16.6373790 -0.0076828
5.1987950 0.0029393
2.2948140 -0.0014662
0.4852110 0.0004144
S 13 1.00
681358.8200000 -0.0000622
102126.4800000 -0.0004794
23243.7100000 -0.0025341
6582.0073000 -0.0103636
2146.4286000 -0.0363516
774.3378200 -0.0993737
301.6702000 -0.2140610
123.4118400 -0.1883192
38.5675510 0.4583816
16.6373790 0.6465664
5.1987950 0.0856579
2.2948140 -0.0156123
0.4852110 0.0036490
S 13 1.00
681358.8200000 0.0000249
102126.4800000 0.0001928
23243.7100000 0.0010149
6582.0073000 0.0041857
2146.4286000 0.0146459
774.3378200 0.0411070
301.6702000 0.0903955
123.4118400 0.0890623
38.5675510 -0.2935718
16.6373790 -0.5759698
5.1987950 0.4968578
2.2948140 0.7616895
0.4852110 0.0453267
S 13 1.00
681358.8200000 -0.0000079
102126.4800000 -0.0000614
23243.7100000 -0.0003230
6582.0073000 -0.0013330
2146.4286000 -0.0046672
774.3378200 -0.0131352
301.6702000 -0.0290342
123.4118400 -0.0290173
38.5675510 0.1002664
16.6373790 0.2103818
5.1987950 -0.2332471
2.2948140 -0.5546497
0.4852110 0.6969522
S 1 1.00
0.1862700 1.0000000
P 10 1.00
4474.2699000 0.0015195
1060.5790000 0.0127424
342.2081200 0.0636465
128.9984200 0.2085635
53.0872220 0.4122423
22.9594250 0.3878103
9.5073000 0.1003820
4.0830550 -0.0025078
1.7504460 0.0027139
0.5291900 -0.0006977
P 10 1.00
4474.2699000 -0.0006208
1060.5790000 -0.0052212
342.2081200 -0.0268463
128.9984200 -0.0915823
53.0872220 -0.1968164
22.9594250 -0.1634750
9.5073000 0.2738204
4.0830550 0.5981592
1.7504460 0.2750453
0.5291900 0.0127706
P 10 1.00
4474.2699000 0.0001701
1060.5790000 0.0014064
342.2081200 0.0073963
128.9984200 0.0248254
53.0872220 0.0557155
22.9594250 0.0412132
9.5073000 -0.0876057
4.0830550 -0.2440586
1.7504460 -0.0295007
0.5291900 0.6012295
P 1 1.00
0.1643690 1.0000000
D 5 1.00
115.5253200 0.0219557
33.4652460 0.1321620
11.8304590 0.3633484
4.3397710 0.4929582
1.5075240 0.2667560
D 1 1.00
0.5030000 1.0000000
S 1 1.00
0.0651450 1.0000000
P 1 1.00
0.0466060 1.0000000
****
|