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quack/mol/CC3_AVTZ/C2H4O.xyz

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2024-09-02 11:35:39 +02:00
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C -0.0012 0.0000 0.4610
C -0.9305 0.0000 -0.7142
O 1.2062 0.0000 0.3808
H -0.4916 0.0000 1.4496
H -1.5767 0.8787 -0.6626
H -1.5767 -0.8787 -0.6626
H -0.3707 0.0000 -1.6461