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QuantumPackage/tests/input/ch4.xyz
2019-01-25 11:39:31 +01:00

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CH4 Geo: Experiment Mult: 1 symmetry: 10
C 0.0 0.0 0.0
H 0.6276 0.6276 0.6276
H 0.6276 -0.6276 -0.6276
H -0.6276 0.6276 -0.6276
H -0.6276 -0.6276 0.6276