mirror of https://github.com/pfloos/quack
8 lines
395 B
Plaintext
8 lines
395 B
Plaintext
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6
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Nitromethyl,^2B_1,CC3,aug-cc-pVTZ
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C 0.00000000 0.00000000 -1.36748442
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N 0.00000000 0.00000000 0.04599858
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O 0.00000000 -1.09389200 0.60907358
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O 0.00000000 1.09389200 0.60907358
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H 0.00000000 0.96128400 -1.84479843
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H 0.00000000 -0.96128400 -1.84479843
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