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QuantumPackage/tests/input/so2.xyz
2019-01-25 11:39:31 +01:00

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SO2 Geo: Experiment Mult: 1 symmetry: 32
O 0.0 1.2371 0.7215
O 0.0 -1.2371 0.7215
S 0.0 0.0 0.0