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lammps/examples/PACKAGES/fep/CH4hyd/mols/methane.zmat
2021-06-29 11:23:47 -04:00

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methane
1 C4H
2 H 1 1.09
3 H 1 1.09 2 109.5
4 H 1 1.09 2 109.5 3 120.0
5 H 1 1.09 2 109.5 3 -120.0
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