9CL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C | CL1 | sing | 1.80Å | 1.82Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HA | sing | 1.09Å | 1.10Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | CL1 | 112.0° | 109.5° |
| C1 | C | H | 108.6° | 109.5° |
| C1 | C | HA | 108.6° | 109.5° |
| C | C1 | C2 | 120.8° | 120.0° |
| C | C1 | C6 | 119.1° | 120.0° |
| CL1 | C | H | 108.6° | 109.5° |
| CL1 | C | HA | 108.6° | 109.4° |
| H | C | HA | 110.3° | 109.5° |
| C2 | C1 | C6 | 120.0° | 120.0° |
| C1 | C2 | C3 | 119.8° | 120.0° |
| C1 | C2 | H2 | 120.1° | 120.0° |
| C1 | C6 | C5 | 120.1° | 120.0° |
| C1 | C6 | H6 | 119.9° | 120.0° |
| C3 | C2 | H2 | 120.1° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C2 | C3 | H3 | 119.9° | 120.0° |
| C4 | C3 | H3 | 119.9° | 120.0° |
| C3 | C4 | C5 | 119.9° | 120.0° |
| C3 | C4 | H4 | 120.1° | 120.0° |
| C5 | C4 | H4 | 120.0° | 120.0° |
| C4 | C5 | C6 | 120.0° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | CL1 | H | 120.0° | 120.0° |
| C1 | C | CL1 | HA | 120.0° | 120.0° |
| C1 | C | H | HA | 119.0° | 120.1° |
| C | C1 | C2 | C6 | 179.8° | 179.7° |
| C | C1 | C2 | C3 | 179.9° | 180.0° |
| C | C1 | C2 | H2 | 0.1° | 0.1° |
| C | C1 | C6 | C5 | 179.9° | 179.8° |
| C | C1 | C6 | H6 | 0.1° | 0.1° |
| CL1 | C | H | HA | 118.9° | 120.0° |
| CL1 | C | C1 | C2 | 91.2° | 89.7° |
| CL1 | C | C1 | C6 | 89.0° | 90.0° |
| H | C | C1 | C2 | 148.8° | 30.3° |
| H | C | C1 | C6 | 31.0° | 150.0° |
| HA | C | C1 | C2 | 28.8° | 150.3° |
| HA | C | C1 | C6 | 151.0° | 30.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 179.9° | 179.9° |
| C2 | C1 | C6 | C5 | 0.3° | 0.5° |
| C2 | C1 | C6 | H6 | 179.7° | 179.7° |
| C6 | C1 | C2 | C3 | 0.1° | 0.3° |
| C6 | C1 | C2 | H2 | 179.9° | 179.8° |
| C1 | C6 | C5 | C4 | 0.2° | 0.4° |
| C1 | C6 | C5 | H6 | 180.0° | 179.8° |
| C1 | C6 | C5 | H5 | 179.8° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 0.1° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.2° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| H3 | C3 | C4 | C5 | 179.8° | 180.0° |
| H3 | C3 | C4 | H4 | 0.2° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.8° | 179.7° |
| H4 | C4 | C5 | C6 | 180.0° | 179.8° |
| H4 | C4 | C5 | H5 | 0.0° | 0.1° |
| H5 | C5 | C6 | H6 | 0.3° | 0.1° |
