mirror of
https://github.com/pfloos/quack
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8 lines
395 B
Plaintext
8 lines
395 B
Plaintext
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6
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Glyoxal,^1A_g,CC3,aug-cc-pVTZ
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C 0.64221096 0.40132913 0.00000000
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C -0.64221096 -0.40132913 0.00000000
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O 1.72290261 -0.13998423 0.00000000
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O -1.72290261 0.13998423 0.00000000
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H 0.50872597 1.49166188 0.00000000
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H -0.50872597 -1.49166188 0.00000000
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