A1C1V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL03 | C02 | sing | 1.80Å | 1.78Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C04 | sing | 1.51Å | 1.53Å | |
| C06 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL03 | C02 | C01 | 107.8° | 109.5° |
| CL03 | C02 | C04 | 109.4° | 109.5° |
| CL03 | C02 | H021 | 106.9° | 109.5° |
| C01 | C02 | C04 | 112.8° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.4° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 109.9° | 109.5° |
| C06 | C05 | C04 | 120.0° | 120.0° |
| C05 | C06 | C07 | 120.1° | 120.0° |
| C06 | C05 | H051 | 120.0° | 120.0° |
| C05 | C06 | H061 | 120.0° | 120.0° |
| C05 | C04 | C02 | 122.6° | 120.0° |
| C05 | C04 | C09 | 119.6° | 120.0° |
| C04 | C05 | H051 | 120.0° | 120.0° |
| C02 | C04 | C09 | 117.8° | 120.0° |
| C04 | C02 | H021 | 109.8° | 109.5° |
| C06 | C07 | C08 | 119.8° | 120.0° |
| C07 | C06 | H061 | 120.0° | 120.0° |
| C06 | C07 | H071 | 120.1° | 120.0° |
| C04 | C09 | C08 | 120.4° | 120.0° |
| C04 | C09 | H091 | 119.8° | 120.0° |
| C07 | C08 | C09 | 120.1° | 120.0° |
| C08 | C07 | H071 | 120.1° | 120.0° |
| C07 | C08 | H081 | 119.9° | 120.0° |
| C09 | C08 | H081 | 120.0° | 120.0° |
| C08 | C09 | H091 | 119.9° | 120.0° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL03 | C02 | C01 | C04 | 120.9° | 120.0° |
| CL03 | C02 | C01 | H021 | 116.2° | 120.0° |
| CL03 | C02 | C04 | C05 | 63.5° | 55.2° |
| CL03 | C02 | C04 | H021 | 117.1° | 120.0° |
| CL03 | C02 | C04 | C09 | 116.4° | 125.0° |
| CL03 | C02 | C01 | H012 | 180.0° | 60.0° |
| CL03 | C02 | C01 | H011 | 60.0° | 60.0° |
| CL03 | C02 | C01 | H013 | 60.0° | 180.0° |
| C01 | C02 | C04 | C05 | 56.5° | 64.8° |
| C01 | C02 | C04 | H021 | 122.9° | 120.0° |
| C01 | C02 | C04 | C09 | 123.6° | 115.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.1° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | C02 | 179.9° | 180.0° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C06 | C05 | C04 | C09 | 0.2° | 0.2° |
| C05 | C06 | C07 | C08 | 0.1° | 0.0° |
| C05 | C06 | C07 | H071 | 179.9° | 179.9° |
| C05 | C04 | C02 | C09 | 179.9° | 179.8° |
| C04 | C05 | C06 | C07 | 0.1° | 0.1° |
| C05 | C04 | C09 | C08 | 0.3° | 0.5° |
| C05 | C04 | C02 | H021 | 179.4° | 175.3° |
| C04 | C05 | C06 | H061 | 179.9° | 179.9° |
| C05 | C04 | C09 | H091 | 179.7° | 179.8° |
| C02 | C04 | C09 | C08 | 179.8° | 179.8° |
| C04 | C02 | C01 | H012 | 59.1° | 60.0° |
| C04 | C02 | C01 | H011 | 60.9° | 180.0° |
| C04 | C02 | C01 | H013 | 179.1° | 60.0° |
| C02 | C04 | C05 | H051 | 0.1° | 0.0° |
| C02 | C04 | C09 | H091 | 0.1° | 0.0° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.2° | 0.2° |
| C07 | C06 | C05 | H051 | 179.9° | 180.0° |
| C06 | C07 | C08 | H081 | 179.9° | 180.0° |
| C04 | C09 | C08 | C07 | 0.3° | 0.5° |
| C04 | C09 | C08 | H091 | 180.0° | 179.7° |
| C09 | C04 | C02 | H021 | 0.7° | 5.0° |
| C09 | C04 | C05 | H051 | 179.8° | 179.7° |
| C04 | C09 | C08 | H081 | 179.8° | 179.8° |
| C07 | C08 | C09 | H081 | 180.0° | 179.7° |
| C08 | C07 | C06 | H061 | 179.9° | 179.9° |
| C07 | C08 | C09 | H091 | 179.8° | 179.8° |
| C09 | C08 | C07 | H071 | 179.8° | 179.8° |
| H012 | C01 | H011 | H013 | 120.0° | 119.9° |
| H012 | C01 | C02 | H021 | 63.8° | 180.0° |
| H011 | C01 | C02 | H021 | 176.2° | 60.0° |
| H013 | C01 | C02 | H021 | 56.2° | 59.9° |
| H051 | C05 | C06 | H061 | 0.2° | 0.1° |
| H061 | C06 | C07 | H071 | 0.1° | 0.0° |
| H071 | C07 | C08 | H081 | 0.2° | 0.1° |
| H081 | C08 | C09 | H091 | 0.2° | 0.0° |
