mirror of https://github.com/pfloos/quack
12 lines
635 B
Plaintext
12 lines
635 B
Plaintext
10
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Pyridazine,^1A_1,CC3,aug-cc-pVTZ
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C 0.00000000 0.68872866 -1.22532499
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C 0.00000000 -0.68872866 -1.22532499
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C 0.00000000 1.31909012 0.01859220
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C 0.00000000 -1.31909012 0.01859220
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N 0.00000000 0.66797114 1.18061915
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N 0.00000000 -0.66797114 1.18061915
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H 0.00000000 2.39613649 0.10212978
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H 0.00000000 -2.39613649 0.10212978
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H 0.00000000 1.26479437 -2.13770502
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H 0.00000000 -1.26479437 -2.13770502 |