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

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2020-08-26 18:48:34 +02:00
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^1A_1,CC3,aug-cc-pVTZ
O 0.00000000 0.00000000 -0.06990256
H 0.00000000 0.75753241 0.51843495
H 0.00000000 -0.75753241 0.51843495