mirror of
https://github.com/pfloos/quack
synced 2024-12-22 12:23:50 +01:00
12 lines
661 B
Plaintext
12 lines
661 B
Plaintext
10
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Pyrazine,^1A_g,CC3,aug-cc-pVTZ
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C 0.00000000 1.12814594 0.69592552
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C 0.00000000 -1.12814594 0.69592552
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C 0.00000000 1.12814594 -0.69592552
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C 0.00000000 -1.12814594 -0.69592552
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N 0.00000000 0.00000000 1.41089287
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N 0.00000000 0.00000000 -1.41089287
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H 0.00000000 2.05718388 1.24480592
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H 0.00000000 -2.05718388 1.24480592
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H 0.00000000 2.05718388 -1.24480592
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H 0.00000000 -2.05718388 -1.24480592 |