6B0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C09 | sing | 1.74Å | 1.78Å | |
| CL1 | C07 | sing | 1.74Å | 1.78Å | |
| C09 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| O01 | C02 | sing | 1.43Å | 1.40Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C09 | C07 | 119.8° | 120.0° |
| CL2 | C09 | C03 | 119.9° | 120.0° |
| CL1 | C07 | C09 | 120.3° | 120.0° |
| CL1 | C07 | C06 | 119.7° | 120.0° |
| C07 | C09 | C03 | 120.3° | 120.0° |
| C09 | C07 | C06 | 120.0° | 119.9° |
| C09 | C03 | C02 | 120.2° | 120.0° |
| C09 | C03 | C04 | 119.9° | 120.0° |
| C07 | C06 | C05 | 119.4° | 120.0° |
| C07 | C06 | H6 | 120.3° | 120.0° |
| O01 | C02 | C03 | 108.3° | 109.5° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| O01 | C02 | H2 | 109.8° | 109.5° |
| O01 | C02 | H3 | 109.8° | 109.4° |
| C02 | C03 | C04 | 119.9° | 120.0° |
| C03 | C02 | H2 | 109.7° | 109.5° |
| C03 | C02 | H3 | 109.8° | 109.5° |
| C03 | C04 | C05 | 119.4° | 120.1° |
| C03 | C04 | H4 | 120.3° | 120.0° |
| C06 | C05 | C04 | 121.0° | 120.0° |
| C06 | C05 | H5 | 119.5° | 119.9° |
| C05 | C06 | H6 | 120.3° | 120.0° |
| C05 | C04 | H4 | 120.3° | 119.9° |
| C04 | C05 | H5 | 119.5° | 120.0° |
| H2 | C02 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C09 | C07 | CL1 | 0.0° | 0.2° |
| CL2 | C09 | C07 | C03 | 180.0° | 179.5° |
| CL2 | C09 | C07 | C06 | 180.0° | 180.0° |
| CL2 | C09 | C03 | C02 | 0.1° | 0.2° |
| CL2 | C09 | C03 | C04 | 180.0° | 180.0° |
| CL1 | C07 | C09 | C06 | 180.0° | 179.8° |
| CL1 | C07 | C09 | C03 | 180.0° | 179.8° |
| CL1 | C07 | C06 | C05 | 179.8° | 180.0° |
| CL1 | C07 | C06 | H6 | 0.2° | 0.0° |
| C07 | C09 | C03 | C02 | 179.9° | 179.8° |
| C07 | C09 | C03 | C04 | 0.0° | 0.4° |
| C09 | C07 | C06 | C05 | 0.2° | 0.2° |
| C09 | C07 | C06 | H6 | 179.8° | 179.7° |
| C03 | C09 | C07 | C06 | 0.0° | 0.5° |
| C09 | C03 | C02 | O01 | 67.8° | 179.8° |
| C09 | C03 | C02 | C04 | 179.9° | 179.8° |
| C09 | C03 | C04 | C05 | 0.2° | 0.1° |
| C09 | C03 | C02 | H2 | 52.0° | 59.7° |
| C09 | C03 | C02 | H3 | 172.4° | 60.3° |
| C09 | C03 | C04 | H4 | 179.8° | 179.7° |
| C07 | C06 | C05 | H6 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 0.4° | 0.0° |
| C07 | C06 | C05 | H5 | 179.6° | 180.0° |
| O01 | C02 | C03 | H2 | 119.8° | 120.0° |
| O01 | C02 | C03 | H3 | 119.8° | 120.0° |
| O01 | C02 | C03 | C04 | 112.3° | 0.0° |
| O01 | C02 | H2 | H3 | 120.6° | 120.0° |
| C02 | C03 | C04 | C05 | 179.9° | 179.9° |
| C03 | C02 | O01 | H1 | 180.0° | 180.0° |
| C03 | C02 | H2 | H3 | 120.6° | 120.0° |
| C02 | C03 | C04 | H4 | 0.1° | 0.1° |
| C03 | C04 | C05 | C06 | 0.4° | 0.1° |
| C03 | C04 | C05 | H4 | 180.0° | 179.9° |
| C04 | C03 | C02 | H2 | 127.9° | 120.1° |
| C04 | C03 | C02 | H3 | 7.5° | 119.9° |
| C03 | C04 | C05 | H5 | 179.6° | 180.0° |
| C06 | C05 | C04 | H5 | 180.0° | 179.9° |
| C06 | C05 | C04 | H4 | 179.6° | 180.0° |
| C04 | C05 | C06 | H6 | 179.6° | 180.0° |
| H1 | O01 | C02 | H2 | 60.2° | 59.9° |
| H1 | O01 | C02 | H3 | 60.2° | 60.0° |
| H4 | C04 | C05 | H5 | 0.4° | 0.1° |
| H5 | C05 | C06 | H6 | 0.4° | 0.0° |
