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quantum_package/tests/input/h2o.xyz
Yann Garniron 9bb0c90a40 merged
2016-01-25 16:11:26 +01:00

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XYZ file: coordinates in Angstrom
H 0.7510000000 0.1940000000 0.0000000000
O 0.0000000000 -0.3880000000 0.0000000000
H -0.7510000000 0.1940000000 0.0000000000