VEL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C7 | sing | 1.40Å | 1.31Å | |
| O1 | C7 | sing | 1.43Å | 1.39Å | |
| O1 | C2 | sing | 1.36Å | 1.35Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | F1 | sing | 1.40Å | 1.29Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| O | C6 | sing | 1.43Å | 1.39Å | |
| C5 | C4 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C | H7 | sing | 1.08Å | 1.08Å | |
| O | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C7 | O1 | 106.1° | 109.5° |
| F | C7 | F1 | 101.5° | 109.5° |
| F | C7 | H1 | 115.6° | 109.4° |
| C7 | O1 | C2 | 113.0° | 117.0° |
| O1 | C7 | F1 | 101.7° | 109.5° |
| O1 | C7 | H1 | 114.1° | 109.5° |
| O1 | C2 | C1 | 114.8° | 120.1° |
| O1 | C2 | C3 | 123.6° | 120.1° |
| C2 | C1 | C | 119.0° | 119.9° |
| C1 | C2 | C3 | 121.5° | 119.9° |
| C2 | C1 | H2 | 120.5° | 120.0° |
| C1 | C | C5 | 121.1° | 120.0° |
| C | C1 | H2 | 120.5° | 120.1° |
| C1 | C | H7 | 119.5° | 120.0° |
| F1 | C7 | H1 | 116.1° | 109.5° |
| C2 | C3 | C4 | 119.1° | 120.0° |
| C2 | C3 | H6 | 120.4° | 120.0° |
| C | C5 | C4 | 120.0° | 120.1° |
| C | C5 | C6 | 118.5° | 119.9° |
| C5 | C | H7 | 119.5° | 120.0° |
| C3 | C4 | C5 | 119.2° | 120.0° |
| C3 | C4 | H5 | 120.4° | 120.0° |
| C4 | C3 | H6 | 120.5° | 120.0° |
| O | C6 | C5 | 109.4° | 109.5° |
| O | C6 | H3 | 109.5° | 109.5° |
| O | C6 | H4 | 109.5° | 109.5° |
| C6 | O | H8 | 109.5° | 113.9° |
| C4 | C5 | C6 | 121.3° | 119.9° |
| C5 | C4 | H5 | 120.4° | 120.0° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.4° |
| H3 | C6 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C7 | O1 | F1 | 105.8° | 120.0° |
| F | C7 | O1 | H1 | 128.5° | 119.9° |
| F | C7 | O1 | C2 | 124.4° | 60.1° |
| F | C7 | F1 | H1 | 126.2° | 120.0° |
| C7 | O1 | C2 | C1 | 51.0° | 180.0° |
| O1 | C7 | F1 | H1 | 124.4° | 120.0° |
| C7 | O1 | C2 | C3 | 125.3° | 0.1° |
| O1 | C2 | C1 | C3 | 176.4° | 179.9° |
| O1 | C2 | C1 | C | 174.2° | 180.0° |
| C2 | O1 | C7 | F1 | 129.8° | 60.0° |
| O1 | C2 | C3 | C4 | 174.3° | 179.9° |
| C2 | O1 | C7 | H1 | 4.1° | 180.0° |
| O1 | C2 | C1 | H2 | 5.8° | 0.3° |
| O1 | C2 | C3 | H6 | 5.8° | 0.0° |
| C2 | C1 | C | H2 | 180.0° | 179.7° |
| C2 | C1 | C | C5 | 0.3° | 0.0° |
| C1 | C2 | C3 | C4 | 1.8° | 0.0° |
| C1 | C2 | C3 | H6 | 178.2° | 180.0° |
| C2 | C1 | C | H7 | 179.7° | 179.9° |
| C | C1 | C2 | C3 | 2.2° | 0.0° |
| C1 | C | C5 | H7 | 180.0° | 180.0° |
| C1 | C | C5 | C4 | 2.0° | 0.0° |
| C1 | C | C5 | C6 | 172.6° | 180.0° |
| C2 | C3 | C4 | H6 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.1° |
| C3 | C2 | C1 | H2 | 177.8° | 179.7° |
| C2 | C3 | C4 | H5 | 179.5° | 179.9° |
| C | C5 | C4 | C3 | 2.4° | 0.1° |
| C | C5 | C6 | O | 33.0° | 90.0° |
| C | C5 | C4 | C6 | 174.4° | 180.0° |
| C5 | C | C1 | H2 | 179.8° | 179.7° |
| C | C5 | C6 | H3 | 86.9° | 30.0° |
| C | C5 | C6 | H4 | 153.0° | 149.9° |
| C | C5 | C4 | H5 | 177.6° | 180.0° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 172.0° | 180.0° |
| O | C6 | C5 | C4 | 152.5° | 90.0° |
| O | C6 | C5 | H3 | 120.0° | 120.0° |
| O | C6 | C5 | H4 | 120.0° | 120.0° |
| O | C6 | H3 | H4 | 120.1° | 120.1° |
| C4 | C5 | C6 | H3 | 87.6° | 150.0° |
| C4 | C5 | C6 | H4 | 32.5° | 30.0° |
| C5 | C4 | C3 | H6 | 179.5° | 180.0° |
| C4 | C5 | C | H7 | 178.0° | 180.0° |
| C5 | C6 | H3 | H4 | 120.1° | 119.9° |
| C6 | C5 | C4 | H5 | 8.0° | 0.1° |
| C6 | C5 | C | H7 | 7.4° | 0.0° |
| C5 | C6 | O | H8 | 180.0° | 180.0° |
| H2 | C1 | C | H7 | 0.3° | 0.2° |
| H3 | C6 | O | H8 | 60.0° | 60.0° |
| H4 | C6 | O | H8 | 60.0° | 60.0° |
| H5 | C4 | C3 | H6 | 0.5° | 0.1° |
