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QUESTDB_website/static/data/structures/QUEST3/cyclopropenone.xyz

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2020-08-30 17:36:26 +02:00
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^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