FHC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C7 | sing | 1.47Å | 1.48Å | |
| C1 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.35Å | 1.35Å | |
| C7 | HC7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.42Å | 1.48Å | |
| C8 | F1 | sing | 1.35Å | 1.40Å | |
| C9 | O3 | doub | 1.23Å | 1.26Å | |
| C9 | O2 | sing | 1.22Å | 1.26Å | |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.10Å | |
| C4 | O1 | sing | 1.36Å | 1.38Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.10Å | |
| C2 | HC2 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C1 | C6 | 123.7° | 120.1° |
| C7 | C1 | C2 | 118.5° | 120.1° |
| C1 | C7 | C8 | 126.3° | 120.0° |
| C1 | C7 | HC7 | 122.3° | 120.0° |
| C6 | C1 | C2 | 117.8° | 119.8° |
| C1 | C6 | C5 | 121.2° | 119.9° |
| C1 | C6 | HC6 | 119.6° | 120.1° |
| C1 | C2 | C3 | 121.2° | 119.9° |
| C1 | C2 | HC2 | 119.6° | 120.1° |
| C8 | C7 | HC7 | 111.4° | 120.0° |
| C7 | C8 | C9 | 123.4° | 120.0° |
| C7 | C8 | F1 | 118.4° | 120.0° |
| C9 | C8 | F1 | 118.1° | 120.0° |
| C8 | C9 | O3 | 114.7° | 120.0° |
| C8 | C9 | O2 | 120.5° | 120.0° |
| O3 | C9 | O2 | 124.7° | 120.0° |
| C5 | C6 | HC6 | 119.2° | 120.0° |
| C6 | C5 | C4 | 119.0° | 120.1° |
| C6 | C5 | HC5 | 121.1° | 119.9° |
| C4 | C5 | HC5 | 119.8° | 119.9° |
| C5 | C4 | O1 | 121.5° | 119.9° |
| C5 | C4 | C3 | 120.5° | 120.2° |
| O1 | C4 | C3 | 118.1° | 119.9° |
| C4 | O1 | HO1 | 121.5° | 106.8° |
| C4 | C3 | C2 | 120.2° | 120.1° |
| C4 | C3 | HC3 | 119.8° | 120.0° |
| C2 | C3 | HC3 | 120.0° | 119.9° |
| C3 | C2 | HC2 | 119.2° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C1 | C6 | C2 | 179.1° | 180.0° |
| C1 | C7 | C8 | HC7 | 180.0° | 180.0° |
| C1 | C7 | C8 | C9 | 2.8° | 10.8° |
| C1 | C7 | C8 | F1 | 178.8° | 169.1° |
| C7 | C1 | C6 | C5 | 179.3° | 179.8° |
| C7 | C1 | C6 | HC6 | 0.7° | 0.0° |
| C7 | C1 | C2 | C3 | 178.9° | 180.0° |
| C7 | C1 | C2 | HC2 | 1.1° | 0.0° |
| C6 | C1 | C7 | C8 | 1.0° | 136.1° |
| C6 | C1 | C7 | HC7 | 179.0° | 43.9° |
| C1 | C6 | C5 | HC6 | 180.0° | 179.8° |
| C1 | C6 | C5 | C4 | 1.3° | 0.6° |
| C1 | C6 | C5 | HC5 | 178.7° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C6 | C1 | C2 | HC2 | 179.8° | 180.0° |
| C2 | C1 | C7 | C8 | 179.9° | 43.9° |
| C2 | C1 | C7 | HC7 | 0.1° | 136.1° |
| C2 | C1 | C6 | C5 | 0.2° | 0.3° |
| C2 | C1 | C6 | HC6 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C1 | C2 | C3 | HC2 | 180.0° | 180.0° |
| C1 | C2 | C3 | HC3 | 179.6° | 180.0° |
| C7 | C8 | C9 | F1 | 178.4° | 179.9° |
| C7 | C8 | C9 | O3 | 130.8° | 7.4° |
| C7 | C8 | C9 | O2 | 52.6° | 172.6° |
| HC7 | C7 | C8 | C9 | 177.3° | 169.2° |
| HC7 | C7 | C8 | F1 | 1.1° | 10.9° |
| C8 | C9 | O3 | O2 | 176.4° | 180.0° |
| F1 | C8 | C9 | O3 | 50.7° | 172.7° |
| F1 | C8 | C9 | O2 | 125.8° | 7.3° |
| C6 | C5 | C4 | HC5 | 180.0° | 179.5° |
| C6 | C5 | C4 | O1 | 179.0° | 179.7° |
| C6 | C5 | C4 | C3 | 1.9° | 0.6° |
| HC6 | C6 | C5 | C4 | 178.7° | 179.7° |
| HC6 | C6 | C5 | HC5 | 1.3° | 0.2° |
| C5 | C4 | O1 | C3 | 179.1° | 179.7° |
| C5 | C4 | O1 | HO1 | 180.0° | 90.3° |
| C5 | C4 | C3 | C2 | 1.5° | 0.3° |
| C5 | C4 | C3 | HC3 | 178.5° | 179.7° |
| HC5 | C5 | C4 | O1 | 1.0° | 0.3° |
| HC5 | C5 | C4 | C3 | 178.1° | 179.9° |
| O1 | C4 | C3 | C2 | 179.4° | 180.0° |
| O1 | C4 | C3 | HC3 | 0.6° | 0.0° |
| C3 | C4 | O1 | HO1 | 0.9° | 90.0° |
| C4 | C3 | C2 | HC3 | 180.0° | 180.0° |
| C4 | C3 | C2 | HC2 | 179.6° | 179.9° |
| HC3 | C3 | C2 | HC2 | 0.4° | 0.1° |
