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mirror of https://github.com/pfloos/quack synced 2024-12-25 13:53:41 +01:00
QuAcK/mol/CC3_AVTZ/C2H6O.xyz

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2024-09-02 11:35:39 +02:00
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C 0.0000 0.0000 0.0000
C 1.5096 0.0000 0.0000
H -0.3785 1.0227 0.0000
H -0.3765 -0.5132 0.8845
H -0.3765 -0.5132 -0.8845
O 1.9411 -1.3595 0.0000
H 2.9006 -1.3725 0.0000
H 1.8870 0.5187 -0.8866
H 1.8870 0.5187 0.8866