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quantum_package/data/basis/aug-cc-pv6z

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2016-01-25 23:38:07 +01:00
HYDROGEN
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D 1
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F 1
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F 1
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F 1
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F 1
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G 1
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G 1
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G 1
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G 1
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H 1
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H 1
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I 1
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PHOSPHORUS
S 16
1 5384000.0000000 0.0000016
2 806200.0000000 0.0000128
3 183600.0000000 0.0000672
4 52250.0000000 0.0002797
5 17390.0000000 0.0009767
6 6523.0000000 0.0029684
7 2687.0000000 0.0081240
8 1178.0000000 0.0209200
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11 121.3000000 0.2069570
12 59.8800000 0.3047370
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S 16
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S 16
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6 6523.0000000 0.0002221
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S 1
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S 1
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S 1
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S 1
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S 1
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S 1
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P 9
1 4552.0000000 0.0000520
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4 133.8000000 0.0111873
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P 9
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P 1
1 1.4350000 1.0000000
P 1
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P 1
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P 1
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P 1
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P 1
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D 1
1 4.3008000 1.0000000
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D 1
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D 1
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D 1
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F 1
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F 1
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F 1
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F 1
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F 1
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G 1
1 1.0616000 1.0000000
G 1
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G 1
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G 1
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H 1
1 1.0850000 1.0000000
H 1
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H 1
1 0.2874000 1.0000000
I 1
1 0.8890000 1.0000000
I 1
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SULFUR
S 16
1 6297000.0000000 0.0000016
2 943100.0000000 0.0000124
3 214900.0000000 0.0000649
4 61250.0000000 0.0002693
5 20450.0000000 0.0009347
6 7719.0000000 0.0028083
7 3198.0000000 0.0076740
8 1402.0000000 0.0198898
9 637.2000000 0.0482589
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11 144.3000000 0.2002230
12 71.2100000 0.3007280
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S 16
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6 7719.0000000 -0.0007777
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S 16
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2 943100.0000000 0.0000010
3 214900.0000000 0.0000052
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5 20450.0000000 0.0000751
6 7719.0000000 0.0002258
7 3198.0000000 0.0006217
8 1402.0000000 0.0016251
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S 1
1 2.0450000 1.0000000
S 1
1 0.9770000 1.0000000
S 1
1 0.4766000 1.0000000
S 1
1 0.2185000 1.0000000
S 1
1 0.0975900 1.0000000
S 1
1 0.0389300 1.0000000
P 9
1 5266.0000000 0.0000523
2 1247.0000000 0.0004635
3 405.0000000 0.0026410
4 154.8000000 0.0113169
5 65.3800000 0.0384704
6 29.5900000 0.1043390
7 14.0400000 0.2156840
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P 9
1 5266.0000000 -0.0000133
2 1247.0000000 -0.0001179
3 405.0000000 -0.0006759
4 154.8000000 -0.0028973
5 65.3800000 -0.0099980
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P 1
1 1.6660000 1.0000000
P 1
1 0.7681000 1.0000000
P 1
1 0.3504000 1.0000000
P 1
1 0.1556000 1.0000000
P 1
1 0.0668100 1.0000000
P 1
1 0.0264800 1.0000000
D 1
1 5.0755000 1.0000000
D 1
1 2.1833000 1.0000000
D 1
1 0.9392000 1.0000000
D 1
1 0.4040000 1.0000000
D 1
1 0.1738000 1.0000000
D 1
1 0.0698600 1.0000000
F 1
1 2.2120000 1.0000000
F 1
1 1.0630000 1.0000000
F 1
1 0.5100000 1.0000000
F 1
1 0.2450000 1.0000000
F 1
1 0.1100000 1.0000000
G 1
1 1.3473000 1.0000000
G 1
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G 1
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G 1
1 0.1799000 1.0000000
H 1
1 1.2861000 1.0000000
H 1
1 0.6115000 1.0000000
H 1
1 0.3465000 1.0000000
I 1
1 1.0409000 1.0000000
I 1
1 0.6222000 1.0000000
CHLORINE
S 16
1 7733000.0000000 0.14347400E-05
2 1158000.0000000 0.11148600E-04
3 263700.0000000 0.58586500E-04
4 75010.0000000 0.24451800E-03
5 24890.0000000 0.85828700E-03
6 9318.0000000 0.26101900E-02
7 3840.0000000 0.71378400E-02
8 1684.0000000 0.18456400E-01
9 766.3000000 0.44894400E-01
10 359.5000000 0.99382200E-01
11 173.4000000 0.19078200
12 85.6100000 0.29356500
13 42.9300000 0.30647700
14 21.5500000 0.16220900
15 10.0500000 0.24938300E-01
16 4.9780000 -0.51314200E-03
S 16
1 7733000.0000000 -0.40222700E-06
2 1158000.0000000 -0.31244800E-05
3 263700.0000000 -0.16429000E-04
4 75010.0000000 -0.68542100E-04
5 24890.0000000 -0.24100100E-03
6 9318.0000000 -0.73353800E-03
7 3840.0000000 -0.20183000E-02
8 1684.0000000 -0.52610700E-02
9 766.3000000 -0.13098600E-01
10 359.5000000 -0.30179400E-01
11 173.4000000 -0.63188800E-01
12 85.6100000 -0.11385900
13 42.9300000 -0.16125100
14 21.5500000 -0.10923400
15 10.0500000 0.16299900
16 4.9780000 0.50141300
S 16
1 7733000.0000000 0.12169600E-06
2 1158000.0000000 0.94514100E-06
3 263700.0000000 0.49711900E-05
4 75010.0000000 0.20732300E-04
5 24890.0000000 0.72940200E-04
6 9318.0000000 0.22189900E-03
7 3840.0000000 0.61135500E-03
8 1684.0000000 0.15933700E-02
9 766.3000000 0.39800100E-02
10 359.5000000 0.91937500E-02
11 173.4000000 0.19439900E-01
12 85.6100000 0.35518700E-01
13 42.9300000 0.52067400E-01
14 21.5500000 0.36564400E-01
15 10.0500000 -0.59750000E-01
16 4.9780000 -0.23164100
S 1
1 2.4780000 1.0000000
S 1
1 1.1800000 1.0000000
S 1
1 0.5828000 1.0000000
S 1
1 0.2668000 1.0000000
S 1
1 0.1183000 1.0000000
S 1
1 0.0462500 1.0000000
P 9
1 6091.0000000 0.51619400E-04
2 1442.0000000 0.45846800E-03
3 468.3000000 0.26150900E-02
4 179.0000000 0.11255400E-01
5 75.6100000 0.38457700E-01
6 34.2200000 0.10508100E+00
7 16.2300000 0.21860300E+00
8 7.8900000 0.33087400E+00
9 3.8980000 0.32587900E+00
P 9
1 6091.0000000 -0.13925900E-04
2 1442.0000000 -0.12332400E-03
3 468.3000000 -0.70755100E-03
4 179.0000000 -0.30493900E-02
5 75.6100000 -0.10575200E-01
6 34.2200000 -0.29409400E-01
7 16.2300000 -0.63229600E-01
8 7.8900000 -0.98187000E-01
9 3.8980000 -0.10587000E+00
P 1
1 1.9330000 1.0000000
P 1
1 0.9057000 1.0000000
P 1
1 0.4140000 1.0000000
P 1
1 0.1836000 1.0000000
P 1
1 0.0785900 1.0000000
P 1
1 0.0316300 1.0000000
D 1
1 6.2428000 1.0000000
D 1
1 2.6906000 1.0000000
D 1
1 1.1596000 1.0000000
D 1
1 0.4998000 1.0000000
D 1
1 0.2154000 1.0000000
D 1
1 0.0888500 1.0000000
F 1
1 2.5327000 1.0000000
F 1
1 1.2406000 1.0000000
F 1
1 0.6077000 1.0000000
F 1
1 0.2977000 1.0000000
F 1
1 0.1465000 1.0000000
G 1
1 1.5388000 1.0000000
G 1
1 0.8050000 1.0000000
G 1
1 0.4212000 1.0000000
G 1
1 0.2177000 1.0000000
H 1
1 1.5613000 1.0000000
H 1
1 0.7397000 1.0000000
H 1
1 0.4365000 1.0000000
I 1
1 1.2572000 1.0000000
I 1
1 0.8074000 1.0000000
ARGON
S 16
1 9149000.0000000 0.0000013
2 1370000.0000000 0.0000104
3 311900.0000000 0.0000549
4 88650.0000000 0.0002296
5 29330.0000000 0.0008103
6 10930.0000000 0.0024853
7 4480.0000000 0.0068369
8 1962.0000000 0.0176199
9 894.1000000 0.0428752
10 419.6000000 0.0954853
11 202.3000000 0.1850640
12 99.8400000 0.2890420
13 50.0700000 0.3101660
14 25.1400000 0.1721830
15 11.8100000 0.0285227
16 5.8820000 -0.0005757
S 16
1 9149000.0000000 -0.0000004
2 1370000.0000000 -0.0000030
3 311900.0000000 -0.0000156
4 88650.0000000 -0.0000652
5 29330.0000000 -0.0002304
6 10930.0000000 -0.0007075
7 4480.0000000 -0.0019573
8 1962.0000000 -0.0050856
9 894.1000000 -0.0126528
10 419.6000000 -0.0293065
11 202.3000000 -0.0617712
12 99.8400000 -0.1125410
13 50.0700000 -0.1622930
14 25.1400000 -0.1184120
15 11.8100000 0.1461480
16 5.8820000 0.4977520
S 16
1 9149000.0000000 0.0000001
2 1370000.0000000 0.0000009
3 311900.0000000 0.0000049
4 88650.0000000 0.0000204
5 29330.0000000 0.0000720
6 10930.0000000 0.0002210
7 4480.0000000 0.0006125
8 1962.0000000 0.0015908
9 894.1000000 0.0039722
10 419.6000000 0.0092204
11 202.3000000 0.0196367
12 99.8400000 0.0362570
13 50.0700000 0.0541725
14 25.1400000 0.0409996
15 11.8100000 -0.0551744
16 5.8820000 -0.2387540
S 1
1 2.9390000 1.0000000
S 1
1 1.4050000 1.0000000
S 1
1 0.6963000 1.0000000
S 1
1 0.3188000 1.0000000
S 1
1 0.1410000 1.0000000
S 1
1 0.0535700 1.0000000
P 9
1 7050.0000000 0.0000502
2 1669.0000000 0.0004454
3 542.1000000 0.0025480
4 207.1000000 0.0110155
5 87.5200000 0.0378490
6 39.6100000 0.1043550
7 18.7800000 0.2193350
8 9.1300000 0.3346150
9 4.5160000 0.3267710
P 9
1 7050.0000000 -0.0000140
2 1669.0000000 -0.0001243
3 542.1000000 -0.0007147
4 207.1000000 -0.0030968
5 87.5200000 -0.0107961
6 39.6100000 -0.0303536
7 18.7800000 -0.0659785
8 9.1300000 -0.1038770
9 4.5160000 -0.1099560
P 1
1 2.2450000 1.0000000
P 1
1 1.0650000 1.0000000
P 1
1 0.4885000 1.0000000
P 1
1 0.2166000 1.0000000
P 1
1 0.0925500 1.0000000
P 1
1 0.0367800 1.0000000
D 1
1 7.6327000 1.0000000
D 1
1 3.2876000 1.0000000
D 1
1 1.4160000 1.0000000
D 1
1 0.6099000 1.0000000
D 1
1 0.2627000 1.0000000
D 1
1 0.1078000 1.0000000
F 1
1 3.0582000 1.0000000
F 1
1 1.5292000 1.0000000
F 1
1 0.7647000 1.0000000
F 1
1 0.3824000 1.0000000
F 1
1 0.1830000 1.0000000
G 1
1 1.8450000 1.0000000
G 1
1 0.9657000 1.0000000
G 1
1 0.5055000 1.0000000
G 1
1 0.2555000 1.0000000
H 1
1 1.8743000 1.0000000
H 1
1 0.8871000 1.0000000
H 1
1 0.5265000 1.0000000
I 1
1 1.5066000 1.0000000
I 1
1 0.9926000 1.0000000