39J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.34Å | 1.36Å | |
| C1 | C2 | sing | 1.51Å | 1.39Å | |
| C1 | O2 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.53Å | 1.48Å | |
| C2 | CL2 | sing | 1.80Å | 1.74Å | |
| C3 | C4 | sing | 1.53Å | 1.47Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C4 | H43C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 103.3° | 120.0° |
| O1 | C1 | O2 | 136.5° | 120.0° |
| C1 | O1 | H1 | 109.5° | 117.0° |
| C2 | C1 | O2 | 119.4° | 120.0° |
| C1 | C2 | C3 | 102.9° | 109.5° |
| C1 | C2 | CL2 | 119.0° | 109.5° |
| C1 | C2 | H2 | 110.6° | 109.4° |
| C3 | C2 | CL2 | 108.6° | 109.5° |
| C2 | C3 | C4 | 95.5° | 109.4° |
| C3 | C2 | H2 | 109.3° | 109.5° |
| C2 | C3 | H31C | 112.8° | 109.4° |
| C2 | C3 | H32C | 112.8° | 109.5° |
| CL2 | C2 | H2 | 106.3° | 109.5° |
| C4 | C3 | H31C | 112.9° | 109.5° |
| C4 | C3 | H32C | 112.9° | 109.5° |
| C3 | C4 | H41C | 109.5° | 109.4° |
| C3 | C4 | H42C | 109.4° | 109.5° |
| C3 | C4 | H43C | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H41C | C4 | H42C | 109.5° | 109.5° |
| H41C | C4 | H43C | 109.5° | 109.5° |
| H42C | C4 | H43C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O2 | 171.3° | 179.7° |
| O1 | C1 | C2 | C3 | 103.3° | 135.0° |
| O1 | C1 | C2 | CL2 | 136.6° | 105.0° |
| O1 | C1 | C2 | H2 | 13.3° | 15.0° |
| C1 | C2 | C3 | CL2 | 126.9° | 120.0° |
| C1 | C2 | C3 | H2 | 117.5° | 119.9° |
| C1 | C2 | CL2 | H2 | 125.4° | 119.9° |
| C1 | C2 | C3 | C4 | 147.2° | 175.0° |
| C2 | C1 | O1 | H1 | 169.0° | 180.0° |
| C1 | C2 | C3 | H31C | 95.2° | 65.1° |
| C1 | C2 | C3 | H32C | 29.5° | 55.0° |
| O2 | C1 | C2 | C3 | 68.0° | 45.3° |
| O2 | C1 | C2 | CL2 | 52.0° | 74.7° |
| O2 | C1 | O1 | H1 | 0.0° | 0.3° |
| O2 | C1 | C2 | H2 | 175.4° | 165.3° |
| C3 | C2 | CL2 | H2 | 117.5° | 120.1° |
| C2 | C3 | C4 | H31C | 117.6° | 119.9° |
| C2 | C3 | C4 | H32C | 117.6° | 120.0° |
| C2 | C3 | H31C | H32C | 126.6° | 120.1° |
| C2 | C3 | C4 | H41C | 180.0° | 180.0° |
| C2 | C3 | C4 | H42C | 60.0° | 60.0° |
| C2 | C3 | C4 | H43C | 60.0° | 60.0° |
| CL2 | C2 | C3 | C4 | 85.9° | 65.0° |
| CL2 | C2 | C3 | H31C | 31.7° | 54.9° |
| CL2 | C2 | C3 | H32C | 156.5° | 175.0° |
| C4 | C3 | C2 | H2 | 29.7° | 55.1° |
| C4 | C3 | H31C | H32C | 126.6° | 120.0° |
| C3 | C4 | H41C | H42C | 120.0° | 120.0° |
| C3 | C4 | H41C | H43C | 120.0° | 120.0° |
| C3 | C4 | H42C | H43C | 120.0° | 120.0° |
| H2 | C2 | C3 | H31C | 147.3° | 175.0° |
| H2 | C2 | C3 | H32C | 88.0° | 64.9° |
| H31C | C3 | C4 | H41C | 62.4° | 60.1° |
| H31C | C3 | C4 | H42C | 177.6° | 179.9° |
| H31C | C3 | C4 | H43C | 57.6° | 59.9° |
| H32C | C3 | C4 | H41C | 62.4° | 60.0° |
| H32C | C3 | C4 | H42C | 57.6° | 60.0° |
| H32C | C3 | C4 | H43C | 177.6° | 180.0° |
| H41C | C4 | H42C | H43C | 120.0° | 120.0° |
