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quack/mol/CC3_AVTZ/CH2O2.xyz
2024-09-02 11:35:39 +02:00

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O 0.0000 0.0000 0.0000
H 2.0353 0.0000 0.0000
C 1.0800 0.5258 0.0000
O 1.2944 1.8532 0.0000
H 0.4241 2.2763 0.0000