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qp2/tests/input/h2s.xyz
2019-01-25 11:39:31 +01:00

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H2S Geo: Experiment Mult: 1 symmetry: 18
H 0.0 0.9569 0.9208
H 0.0 -0.9569 0.9208
S 0.0 0.0 0.0