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qp2/tests/input/c2h2.xyz

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2019-01-25 11:39:31 +01:00
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C2H2 Geo: Experiment Mult: 1 symmetry: 14
C 0.0 0.0 0.6013
C 0.0 0.0 -0.6013
H 0.0 0.0 1.6644
H 0.0 0.0 -1.6644