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QUESTDB_website/data/structures/QUEST1/water.xyz
2020-11-24 18:21:58 +00:00

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Water,^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