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

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3
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
Add XYZ files for QUEST#1 2020-08-26 18:48:34 +02:00			`3`
Add molecule parameter to each XYZ 2020-09-27 16:41:49 +02:00			`Water,^1A_1,CC3,aug-cc-pVTZ`
Add XYZ files for QUEST#1 2020-08-26 18:48:34 +02:00			`O 0.00000000 0.00000000 -0.06990256`
			`H 0.00000000 0.75753241 0.51843495`
			`H 0.00000000 -0.75753241 0.51843495`