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quantum_package/tests/input/dhno.xyz
2016-02-16 12:34:04 +01:00

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XYZ file: coordinates in Angstrom
H -0.877367 -1.047049 0.000000
N 0.000000 -0.544985 0.000000
O 0.000000 0.738624 0.000000
H 0.877367 -1.047049 0.000000