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quack/mol/cyclopropenone.xyz
2020-10-12 14:30:00 +02:00

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398 B
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Cyclopropenone,^1A_1,CC3,aug-cc-pVTZ
C 0.00000000 0.67465769 -0.98919371
C 0.00000000 -0.67465769 -0.98919371
C 0.00000000 0.00000000 0.27419081
O 0.00000000 0.00000000 1.47813364
H 0.00000000 1.54938521 -1.61758804
H 0.00000000 -1.54938521 -1.61758804