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mirror of https://github.com/pfloos/quack synced 2024-12-23 12:55:25 +01:00
QuAcK/mol/benzoquinone.xyz
2020-10-12 14:30:00 +02:00

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757 B
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Benzoquinone,^1A_g,CC3,aug-cc-pVTZ
C 1.43654376 0.00000000 0.00000000
C -1.43654376 0.00000000 0.00000000
C 0.67018012 1.26325165 0.00000000
C 0.67018012 -1.26325165 0.00000000
C -0.67018012 1.26325165 0.00000000
C -0.67018012 -1.26325165 0.00000000
O 2.65968513 0.00000000 0.00000000
O -2.65968513 0.00000000 0.00000000
H 1.25530716 2.17131386 0.00000000
H 1.25530716 -2.17131386 0.00000000
H -1.25530716 2.17131386 0.00000000
H -1.25530716 -2.17131386 0.00000000