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lammps/examples/USER/fep/CH4-CF4/mols/CF4-CH4.zmat

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CF4->CH4
1 CF-C
2 HD- 1 rCH
3 HD- 1 rCH 2 109.5
4 HD- 1 rCH 2 109.5 3 120.0
5 HD- 1 rCH 2 109.5 3 -120.0
6 F-D 1 rCF 2 109.5 3 -120.0
7 F-D 1 rCF 2 109.5 3 120.0
8 F-D 1 rCF 7 109.5 5 120.0
9 F-D 1 rCF 7 109.5 5 -120.0
rCH = 1.090
rCF = 1.332
CH4-CF4.ff