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qp2/tests/input/sih3.xyz
2019-01-25 11:39:31 +01:00

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SiH3 Geo: Experiment Mult: 2 symmetry: 17
H 0.0 1.3928 -0.382
H 1.2062 -0.6964 -0.382
H -1.2062 -0.6964 -0.382
Si 0.0 0.0 0.0819