5CL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.54Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.55Å | Aromatic |
| C1 | CL5 | sing | 1.74Å | 1.53Å | |
| C2 | C3 | doub | 1.38Å | 1.54Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.38Å | 1.55Å | Aromatic |
| C3 | CL4 | sing | 1.74Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.56Å | Aromatic |
| C4 | CL1 | sing | 1.74Å | 1.53Å | |
| C5 | C6 | sing | 1.38Å | 1.55Å | Aromatic |
| C5 | CL2 | sing | 1.74Å | 1.57Å | |
| C6 | CL3 | sing | 1.74Å | 1.56Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.3° | 120.0° |
| C2 | C1 | CL5 | 119.6° | 120.0° |
| C1 | C2 | C3 | 120.5° | 120.0° |
| C1 | C2 | H2 | 119.8° | 120.0° |
| C6 | C1 | CL5 | 120.1° | 120.0° |
| C1 | C6 | C5 | 119.9° | 120.0° |
| C1 | C6 | CL3 | 122.6° | 120.0° |
| C3 | C2 | H2 | 119.7° | 120.0° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C2 | C3 | CL4 | 117.8° | 120.0° |
| C4 | C3 | CL4 | 122.5° | 120.0° |
| C3 | C4 | C5 | 120.1° | 120.0° |
| C3 | C4 | CL1 | 119.9° | 120.0° |
| C5 | C4 | CL1 | 120.0° | 120.0° |
| C4 | C5 | C6 | 119.5° | 119.9° |
| C4 | C5 | CL2 | 120.2° | 120.0° |
| C6 | C5 | CL2 | 120.4° | 120.0° |
| C5 | C6 | CL3 | 117.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | CL5 | 179.9° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C1 | C2 | C3 | CL4 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | CL3 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.1° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.2° |
| C1 | C6 | C5 | CL3 | 179.9° | 179.9° |
| C1 | C6 | C5 | CL2 | 179.9° | 180.0° |
| CL5 | C1 | C2 | C3 | 179.9° | 180.0° |
| CL5 | C1 | C2 | H2 | 0.1° | 0.1° |
| CL5 | C1 | C6 | C5 | 179.9° | 180.0° |
| CL5 | C1 | C6 | CL3 | 0.0° | 0.1° |
| C2 | C3 | C4 | CL4 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.1° | 0.4° |
| C2 | C3 | C4 | CL1 | 179.9° | 180.0° |
| H2 | C2 | C3 | C4 | 180.0° | 179.7° |
| H2 | C2 | C3 | CL4 | 0.0° | 0.1° |
| C3 | C4 | C5 | CL1 | 179.9° | 179.5° |
| C3 | C4 | C5 | C6 | 0.1° | 0.5° |
| C3 | C4 | C5 | CL2 | 179.9° | 179.8° |
| CL4 | C3 | C4 | C5 | 180.0° | 179.8° |
| CL4 | C3 | C4 | CL1 | 0.1° | 0.2° |
| C4 | C5 | C6 | CL2 | 180.0° | 179.7° |
| C4 | C5 | C6 | CL3 | 179.9° | 179.7° |
| CL1 | C4 | C5 | C6 | 179.8° | 180.0° |
| CL1 | C4 | C5 | CL2 | 0.2° | 0.3° |
| CL2 | C5 | C6 | CL3 | 0.1° | 0.0° |
