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QuantumPackage/tests/input/hcn.xyz

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2019-01-25 11:39:31 +01:00
3
HCN Geo: Experiment Mult: 1 symmetry: 14
C 0.0 0.0 0.0
H 0.0 0.0 1.064
N 0.0 0.0 -1.156