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quantum_package/test/input/HBO.xyz
TApplencourt 3f2ac415c6 Add test
2015-10-28 13:51:11 +01:00

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HBO Geo: Experiment Mult: 1 symmetry: 14
B 0.0 0.0 1.166
H 0.0 0.0 0.0
O 0.0 0.0 2.366