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mirror of https://github.com/pfloos/quack synced 2024-12-23 04:43:42 +01:00
QuAcK/mol/butadiene.xyz
2021-03-08 17:00:05 +01:00

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610 B
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C 1.84223863 0.00000000 -0.11897388
C -1.84223863 0.00000000 0.11897388
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H -0.48033933 0.00000000 -1.47579018
H 1.99778057 0.00000000 -1.19009558
H -1.99778057 0.00000000 1.19009558
H 2.71819794 0.00000000 0.51257105
H -2.71819794 0.00000000 -0.51257105