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quack/mol/carbonylfluoride.xyz

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2020-10-12 14:30:00 +02:00
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Carbonylfluoride,^1A_1,CC3,aug-cc-pVTZ
C 0.00000000 0.00000000 -0.16220675
O 0.00000000 0.00000000 -1.33601124
F 0.00000000 1.05970360 0.61386164
F 0.00000000 -1.05970360 0.61386164