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QUESTDB_website/static/data/structures/QUEST1/formaldehyde.xyz

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2020-08-26 18:48:34 +02:00
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^1A_1,CC3,aug-cc-pVTZ
C 0.00000000 0.00000000 -0.60298508
O 0.00000000 0.00000000 0.60539399
H 0.00000000 0.93467313 -1.18217476
H 0.00000000 -0.93467313 -1.18217476
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^1A^\prime,CC3,aug-cc-pVTZ
C -0.05261453 0.00000000 0.67243114
O 0.01051633 0.00000000 -0.65237250
H 0.22637595 0.93521292 1.15609813
H 0.22637595 -0.93521292 1.15609813