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QUESTDB_website/static/data/structures/water.xyz

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2019-09-17 15:32:49 +02:00
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1 1 A_1 C_2V,CC3,aug-cc-pVTZ
H 0.7493682 0.0000000 0.4424329
O 0.0000000 0.0000000 -0.1653507
H -0.7493682 0.0000000 0.4424329