MCH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL3 | C1 | sing | 1.80Å | 1.79Å | |
| C1 | CL1 | sing | 1.80Å | 1.80Å | |
| C1 | CL2 | sing | 1.80Å | 1.80Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL3 | C1 | CL1 | 108.1° | 109.5° |
| CL3 | C1 | CL2 | 108.9° | 109.5° |
| CL3 | C1 | H1 | 111.0° | 109.5° |
| CL1 | C1 | CL2 | 110.4° | 109.5° |
| CL1 | C1 | H1 | 109.6° | 109.5° |
| CL2 | C1 | H1 | 108.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL3 | C1 | CL1 | CL2 | 119.0° | 120.0° |
| CL3 | C1 | CL1 | H1 | 121.1° | 120.0° |
| CL3 | C1 | CL2 | H1 | 121.1° | 120.0° |
| CL1 | C1 | CL2 | H1 | 120.3° | 120.0° |
