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qp2/tests/input/dhno.xyz

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2019-01-25 11:39:31 +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