| # critical constants: Temperature [T], Pressure [Pa], and Acentric factor [-] | |
| 190.564 | |
| 4599200.0 | |
| 0.01142 | |
| # Number Of Atoms | |
| 1 | |
| # Number Of Groups | |
| 1 | |
| # Alkane-group | |
| flexible | |
| # number of atoms | |
| 1 | |
| # atomic positions | |
| 0 CH4 | |
| # Chiral centers Bond BondDipoles Bend UrayBradley InvBend Torsion Imp. Torsion Bond/Bond Bond/Bend Bend/Bend Bond/Torsion Bend/Torsion IntraVDW Intra ch-ch Intra ch-bd Intra bd-bd | |
| 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 | |
| # Number of config moves | |
| 0 | |