CLX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.51Å | 1.56Å | |
| C1 | CL1 | sing | 1.80Å | 1.81Å | |
| C1 | CL2 | sing | 1.80Å | 1.78Å | |
| C1 | CL3 | sing | 1.80Å | 1.79Å | |
| C | O | doub | 1.21Å | 1.43Å | |
| C | H | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | CL1 | 112.3° | 109.5° |
| C | C1 | CL2 | 108.9° | 109.5° |
| C | C1 | CL3 | 110.7° | 109.5° |
| C1 | C | O | 112.9° | 120.0° |
| C1 | C | H | 127.2° | 120.0° |
| CL1 | C1 | CL2 | 105.9° | 109.5° |
| CL1 | C1 | CL3 | 111.1° | 109.5° |
| CL2 | C1 | CL3 | 107.7° | 109.5° |
| O | C | H | 119.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | CL1 | CL2 | 118.7° | 120.0° |
| C | C1 | CL1 | CL3 | 124.6° | 120.0° |
| C | C1 | CL2 | CL3 | 120.2° | 120.0° |
| C1 | C | O | H | 180.0° | 180.0° |
| CL1 | C1 | CL2 | CL3 | 118.9° | 120.0° |
| CL1 | C1 | C | O | 166.2° | 120.0° |
| CL1 | C1 | C | H | 13.7° | 60.0° |
| CL2 | C1 | C | O | 76.8° | 0.0° |
| CL2 | C1 | C | H | 103.2° | 180.0° |
| CL3 | C1 | C | O | 41.4° | 120.0° |
| CL3 | C1 | C | H | 138.5° | 60.0° |
