mirror of
https://github.com/pfloos/quack
synced 2024-12-23 04:43:53 +01:00
732 lines
24 KiB
Plaintext
732 lines
24 KiB
Plaintext
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HYDROGEN
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CARBON
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K 1
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NITROGEN
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OXYGEN
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FLUORINE
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I 1
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||
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K 1
|
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NEON
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||
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S 12
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||
|
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||
|
2 394695.0000000 0.00001122
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||
|
3 89814.2000000 0.00005899
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||
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4 25439.5000000 0.00024948
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||
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|
||
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6 2991.7700000 0.00297099
|
||
|
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|
||
|
8 483.9270000 0.02412806
|
||
|
9 211.0490000 0.05988851
|
||
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|
||
|
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|
||
|
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|
||
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||
|
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|
||
|
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||
|
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||
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||
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|
||
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|
||
|
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||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
S 1
|
||
|
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|
||
|
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|
||
|
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||
|
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|
||
|
1 2.4363700 1.0000000
|
||
|
S 1
|
||
|
1 1.1192500 1.0000000
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||
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|
||
|
1 0.5066970 1.0000000
|
||
|
S 1
|
||
|
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|
||
|
P 6
|
||
|
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|
||
|
2 494.1240000 0.00031653
|
||
|
3 160.7080000 0.00179215
|
||
|
4 61.4172000 0.00757934
|
||
|
5 25.8676000 0.02539568
|
||
|
6 11.6199000 0.06951943
|
||
|
P 1
|
||
|
1 5.4635300 1.0000000
|
||
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|
||
|
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||
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||
|
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||
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||
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||
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||
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||
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||
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||
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||
|
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||
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||
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||
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|
||
|
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|
||
|
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|
||
|
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||
|
D 1
|
||
|
1 0.8633360 1.0000000
|
||
|
D 1
|
||
|
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|
||
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F 1
|
||
|
1 17.0078000 1.0000000
|
||
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|
||
|
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||
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F 1
|
||
|
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||
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|
||
|
1 1.7437600 1.0000000
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||
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F 1
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||
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||
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||
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||
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||
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||
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||
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K 1
|
||
|
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|
||
|
|
||
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SULFUR
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||
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S 21
|
||
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|
||
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|
||
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3 1736842.2000000 0.48692049E-5
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||
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4 864530.7300000 0.32375410E-5
|
||
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5 430328.8900000 0.16768271E-4
|
||
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6 214200.5400000 0.31007451E-4
|
||
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7 106620.4800000 0.82993952E-4
|
||
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8 53071.4180000 0.18998198E-3
|
||
|
9 26416.8330000 0.46151388E-3
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||
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||
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11 6545.1692000 0.26089891E-2
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||
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12 3257.9239000 0.61757438E-2
|
||
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13 1621.6645000 0.14458895E-1
|
||
|
14 807.1998400 0.33174850E-1
|
||
|
15 401.7918600 0.72811640E-1
|
||
|
16 199.9959500 0.147223973
|
||
|
17 99.54999800 0.254144316
|
||
|
18 49.55201500 0.324750529
|
||
|
19 24.66501500 0.230874675
|
||
|
20 12.27726000 0.059430194
|
||
|
21 6.111129800 0.38523020E-2
|
||
|
S 21
|
||
|
1 7010036.0000000 0.39743053E-6
|
||
|
2 3489316.1000000 -0.23137995E-6
|
||
|
3 1736842.2000000 0.13427142E-5
|
||
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4 864530.7300000 0.89975164E-6
|
||
|
5 430328.8900000 0.46194157E-5
|
||
|
6 214200.5400000 0.85924467E-5
|
||
|
7 106620.4800000 0.22872063E-4
|
||
|
8 53071.4180000 0.52621485E-4
|
||
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9 26416.8330000 0.12734765E-3
|
||
|
10 13149.2450000 0.30346017E-3
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11 6545.1692000 0.72242155E-3
|
||
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12 3257.9239000 0.17220247E-2
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||
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13 1621.6645000 0.40541165E-2
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||
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14 807.1998400 0.94756820E-2
|
||
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15 401.7918600 0.21425437E-1
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||
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16 199.9959500 0.46194950E-1
|
||
|
17 99.54999800 0.89914022E-1
|
||
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|
||
|
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|
||
|
20 12.27726000 -0.0161861918
|
||
|
21 6.111129800 -0.3446816404
|
||
|
S 21
|
||
|
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|
||
|
2 3489316.1000000 0.67978120E-7
|
||
|
3 1736842.2000000 -0.39224463E-6
|
||
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||
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5 430328.8900000 -0.13547393E-5
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||
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6 214200.5400000 -0.24646622E-5
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||
|
7 106620.4800000 -0.67031950E-5
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||
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8 53071.4180000 -0.15143074E-4
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||
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9 26416.8330000 -0.37253152E-4
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||
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10 13149.2450000 -0.87520661E-4
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||
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11 6545.1692000 -0.21103236E-3
|
||
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12 3257.9239000 -0.49767312E-3
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||
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13 1621.6645000 -0.11840931E-2
|
||
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14 807.1998400 -0.27474376E-2
|
||
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||
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||
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||
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18 49.55201500 -0.44279856E-1
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||
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19 24.66501500 -0.47655137E-1
|
||
|
20 12.27726000 0.69191566E-2
|
||
|
21 6.111129800 0.1275718473
|
||
|
S 1
|
||
|
1 3.041876500 1.0000000
|
||
|
S 1
|
||
|
1 1.514124700 1.0000000
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||
|
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|
||
|
1 0.753670820 1.0000000
|
||
|
S 1
|
||
|
1 0.375147250 1.0000000
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||
|
S 1
|
||
|
1 0.186733320 1.0000000
|
||
|
S 1
|
||
|
1 0.092948394 1.0000000
|
||
|
P 12
|
||
|
1 9780.0262000 0.14400789E-4
|
||
|
2 4800.6372000 0.14765406E-4
|
||
|
3 2356.4475000 0.10011551E-3
|
||
|
4 1156.6891000 0.29000274E-3
|
||
|
5 567.7740000 0.10415811E-2
|
||
|
6 278.6983300 0.34037782E-2
|
||
|
7 136.8022500 0.10841169E-1
|
||
|
8 67.15094300 0.31942317E-1
|
||
|
9 32.96180500 0.84894757E-1
|
||
|
10 16.17967700 0.1856741163
|
||
|
11 7.941978900 0.3046790243
|
||
|
12 3.898410800 0.3454515448
|
||
|
P 12
|
||
|
1 9780.0262000 0.36505507E-5
|
||
|
2 4800.6372000 0.38364739E-5
|
||
|
3 2356.4475000 0.25279606E-4
|
||
|
4 1156.6891000 0.74471021E-4
|
||
|
5 567.7740000 0.26448086E-3
|
||
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6 278.6983300 0.87332482E-3
|
||
|
7 136.8022500 0.27778292E-2
|
||
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8 67.15094300 0.82927386E-2
|
||
|
9 32.96180500 0.22358523E-1
|
||
|
10 16.17967700 0.50261912E-1
|
||
|
11 7.941978900 0.84322121E-1
|
||
|
12 3.898410800 0.1027551345
|
||
|
P 1
|
||
|
1 1.913579300 1.0000000
|
||
|
P 1
|
||
|
1 0.939302210 1.0000000
|
||
|
P 1
|
||
|
1 0.461067190 1.0000000
|
||
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P 1
|
||
|
1 0.226320080 1.0000000
|
||
|
P 1
|
||
|
1 0.111091790 1.0000000
|
||
|
P 1
|
||
|
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|
||
|
D 1
|
||
|
1 8.1157469 1.0000000
|
||
|
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|
||
|
1 3.6595333 1.0000000
|
||
|
D 1
|
||
|
1 1.6501480 1.0000000
|
||
|
D 1
|
||
|
1 0.7440808 1.0000000
|
||
|
D 1
|
||
|
1 0.3355191 1.0000000
|
||
|
D 1
|
||
|
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|
||
|
F 1
|
||
|
1 1.7321483 1.0000000
|
||
|
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|
||
|
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|
||
|
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|
||
|
1 0.3486301 1.0000000
|
||
|
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|
||
|
1 0.1564065 1.0000000
|
||
|
F 1
|
||
|
1 0.0701689 1.0000000
|
||
|
G 1
|
||
|
1 1.5999868 1.0000000
|
||
|
G 1
|
||
|
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|
||
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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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||
|
H 1
|
||
|
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|
||
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I 1
|
||
|
1 1.5000000 1.0000000
|
||
|
I 1
|
||
|
1 0.7570000 1.0000000
|
||
|
K 1
|
||
|
1 1.2090000 1.0000000
|
||
|
|
||
|
|