mirror of
https://github.com/pfloos/quack
synced 2024-10-31 19:23:52 +01:00
752 lines
28 KiB
Plaintext
752 lines
28 KiB
Plaintext
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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
|
||
|
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
|
||
|
8 6.8240000 0.3252600
|
||
|
9 3.3690000 0.3261780
|
||
|
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
|
||
|
6 29.5900000 -0.0275416
|
||
|
7 14.0400000 -0.0587943
|
||
|
8 6.8240000 -0.0903761
|
||
|
9 3.3690000 -0.0999891
|
||
|
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
|
||
|
D 1
|
||
|
1 11.5330000 1.0000000
|
||
|
D 1
|
||
|
1 2.9880000 1.0000000
|
||
|
D 1
|
||
|
1 1.2590000 1.0000000
|
||
|
D 1
|
||
|
1 0.8040000 1.0000000
|
||
|
D 1
|
||
|
1 0.3800000 1.0000000
|
||
|
D 1
|
||
|
1 0.1600000 1.0000000
|
||
|
F 1
|
||
|
1 2.2120000 1.0000000
|
||
|
F 1
|
||
|
1 1.0630000 1.0000000
|
||
|
F 1
|
||
|
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|
||
|
F 1
|
||
|
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|
||
|
G 1
|
||
|
1 1.3473000 1.0000000
|
||
|
G 1
|
||
|
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|
||
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G 1
|
||
|
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|
||
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H 1
|
||
|
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|
||
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H 1
|
||
|
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|
||
|
I 1
|
||
|
1 1.0409000 1.0000000
|
||
|
|
||
|
CHLORINE
|
||
|
S 16
|
||
|
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|
||
|
2 1158000.0000000 0.11148600E-04
|
||
|
3 263700.0000000 0.58586500E-04
|
||
|
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|
||
|
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
|
||
|
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
|
||
|
D 1
|
||
|
1 14.7720000 1.0000000
|
||
|
D 1
|
||
|
1 3.8200000 1.0000000
|
||
|
D 1
|
||
|
1 1.5830000 1.0000000
|
||
|
D 1
|
||
|
1 1.0360000 1.0000000
|
||
|
D 1
|
||
|
1 0.4880000 1.0000000
|
||
|
D 1
|
||
|
1 0.2030000 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
|
||
|
G 1
|
||
|
1 1.5388000 1.0000000
|
||
|
G 1
|
||
|
1 0.8050000 1.0000000
|
||
|
G 1
|
||
|
1 0.4212000 1.0000000
|
||
|
H 1
|
||
|
1 1.5613000 1.0000000
|
||
|
H 1
|
||
|
1 0.7397000 1.0000000
|
||
|
I 1
|
||
|
1 1.2572000 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
|
||
|
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
|
||
|
D 1
|
||
|
1 17.7430000 1.0000000
|
||
|
D 1
|
||
|
1 4.5800000 1.0000000
|
||
|
D 1
|
||
|
1 1.8890000 1.0000000
|
||
|
D 1
|
||
|
1 1.2520000 1.0000000
|
||
|
D 1
|
||
|
1 0.5940000 1.0000000
|
||
|
D 1
|
||
|
1 0.2470000 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
|
||
|
G 1
|
||
|
1 1.8450000 1.0000000
|
||
|
G 1
|
||
|
1 0.9657000 1.0000000
|
||
|
G 1
|
||
|
1 0.5055000 1.0000000
|
||
|
H 1
|
||
|
1 1.8743000 1.0000000
|
||
|
H 1
|
||
|
1 0.8871000 1.0000000
|
||
|
I 1
|
||
|
1 1.5066000 1.0000000
|
||
|
|
||
|
|