VKF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C6 | sing | 1.40Å | 1.28Å | |
| C6 | C5 | sing | 1.51Å | 1.47Å | |
| C6 | F | sing | 1.40Å | 1.29Å | |
| C5 | C | doub | 1.38Å | 1.44Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.33Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.36Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.44Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.37Å | Aromatic |
| C2 | C7 | sing | 1.48Å | 1.52Å | |
| C7 | O1 | doub | 1.21Å | 1.24Å | |
| C7 | O | sing | 1.35Å | 1.21Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| O | H5 | sing | 0.97Å | 0.95Å | |
| C | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C6 | C5 | 110.1° | 109.5° |
| F1 | C6 | F | 98.3° | 109.4° |
| F1 | C6 | H2 | 114.2° | 109.5° |
| C5 | C6 | F | 108.6° | 109.5° |
| C6 | C5 | C | 119.9° | 119.9° |
| C6 | C5 | C4 | 117.2° | 119.8° |
| C5 | C6 | H2 | 110.9° | 109.5° |
| F | C6 | H2 | 114.0° | 109.4° |
| C | C5 | C4 | 122.9° | 120.3° |
| C5 | C | C1 | 117.7° | 120.2° |
| C5 | C | H6 | 121.1° | 119.9° |
| C5 | C4 | C3 | 119.3° | 120.1° |
| C5 | C4 | H3 | 120.4° | 120.0° |
| C | C1 | C2 | 118.3° | 119.8° |
| C | C1 | H1 | 120.9° | 120.0° |
| C1 | C | H6 | 121.1° | 119.9° |
| C4 | C3 | C2 | 121.3° | 119.9° |
| C3 | C4 | H3 | 120.3° | 119.9° |
| C4 | C3 | H4 | 119.4° | 120.0° |
| C1 | C2 | C3 | 120.5° | 119.7° |
| C1 | C2 | C7 | 121.1° | 120.1° |
| C2 | C1 | H1 | 120.8° | 120.2° |
| C3 | C2 | C7 | 118.3° | 120.1° |
| C2 | C3 | H4 | 119.3° | 120.1° |
| C2 | C7 | O1 | 118.0° | 120.0° |
| C2 | C7 | O | 116.8° | 120.0° |
| O1 | C7 | O | 125.2° | 120.0° |
| C7 | O | H5 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C6 | C5 | F | 106.6° | 120.0° |
| F1 | C6 | C5 | H2 | 127.4° | 120.1° |
| F1 | C6 | F | H2 | 121.3° | 120.0° |
| F1 | C6 | C5 | C | 127.5° | 30.1° |
| F1 | C6 | C5 | C4 | 52.6° | 150.0° |
| C5 | C6 | F | H2 | 124.2° | 120.0° |
| C6 | C5 | C | C4 | 179.9° | 179.9° |
| C6 | C5 | C | C1 | 178.5° | 180.0° |
| C6 | C5 | C4 | C3 | 178.2° | 179.7° |
| C6 | C5 | C4 | H3 | 1.8° | 0.1° |
| C6 | C5 | C | H6 | 1.4° | 0.1° |
| F | C6 | C5 | C | 126.0° | 150.0° |
| F | C6 | C5 | C4 | 54.0° | 30.1° |
| C5 | C | C1 | H6 | 180.0° | 179.9° |
| C | C5 | C4 | C3 | 1.7° | 0.2° |
| C5 | C | C1 | C2 | 0.7° | 0.1° |
| C5 | C | C1 | H1 | 179.3° | 179.7° |
| C | C5 | C6 | H2 | 0.1° | 90.0° |
| C | C5 | C4 | H3 | 178.3° | 180.0° |
| C4 | C5 | C | C1 | 1.4° | 0.1° |
| C5 | C4 | C3 | H3 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 0.1° | 0.5° |
| C4 | C5 | C6 | H2 | 180.0° | 89.9° |
| C5 | C4 | C3 | H4 | 179.9° | 180.0° |
| C4 | C5 | C | H6 | 178.6° | 180.0° |
| C | C1 | C2 | H1 | 180.0° | 179.8° |
| C | C1 | C2 | C3 | 2.4° | 0.2° |
| C | C1 | C2 | C7 | 173.9° | 179.8° |
| C4 | C3 | C2 | C1 | 2.1° | 0.5° |
| C4 | C3 | C2 | H4 | 180.0° | 179.5° |
| C4 | C3 | C2 | C7 | 174.3° | 179.5° |
| C1 | C2 | C3 | C7 | 176.4° | 180.0° |
| C1 | C2 | C7 | O1 | 161.0° | 0.0° |
| C1 | C2 | C7 | O | 21.0° | 179.7° |
| C1 | C2 | C3 | H4 | 177.8° | 180.0° |
| C2 | C1 | C | H6 | 179.3° | 180.0° |
| C3 | C2 | C7 | O1 | 22.6° | 180.0° |
| C3 | C2 | C7 | O | 155.4° | 0.2° |
| C3 | C2 | C1 | H1 | 177.6° | 180.0° |
| C2 | C3 | C4 | H3 | 179.9° | 179.7° |
| C2 | C7 | O1 | O | 177.8° | 179.7° |
| C7 | C2 | C1 | H1 | 6.1° | 0.0° |
| C7 | C2 | C3 | H4 | 5.7° | 0.0° |
| C2 | C7 | O | H5 | 177.8° | 179.7° |
| O1 | C7 | O | H5 | 0.0° | 0.0° |
| H1 | C1 | C | H6 | 0.7° | 0.2° |
| H3 | C4 | C3 | H4 | 0.1° | 0.2° |
