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qp2/tests/input/sih2_3b1.xyz
2019-01-25 11:39:31 +01:00

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SiH2_3B1 Geo: Experiment Mult: 3 symmetry: 16
H 0.0 1.273174 -0.665412
H 0.0 -1.273174 -0.665412
Si 0.0 0.0 0.095059