mirror of
https://github.com/pfloos/quack
synced 2024-11-03 20:53:53 +01:00
13 lines
694 B
Plaintext
13 lines
694 B
Plaintext
11
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Pyridine,^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 -1.40999871
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C 0.00000000 1.19326807 -0.69888375
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C 0.00000000 -1.19326807 -0.69888375
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C 0.00000000 1.13984027 0.69147391
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C 0.00000000 -1.13984027 0.69147391
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N 0.00000000 0.00000000 1.39056622
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H 0.00000000 0.00000000 -2.49052765
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H 0.00000000 2.14723447 -1.20454196
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H 0.00000000 -2.14723447 -1.20454196
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H 0.00000000 2.05352021 1.27183287
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H 0.00000000 -2.05352021 1.27183287 |