FNN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C3 | sing | 1.35Å | 1.34Å | |
| N | O1 | sing | 1.22Å | 1.40Å | |
| N | O2 | doub | 1.22Å | 1.35Å | |
| N | C4 | sing | 1.48Å | 1.36Å | |
| O | C1 | sing | 1.36Å | 1.33Å | |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| O | HO | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C3 | C2 | 117.5° | 120.0° |
| F | C3 | C4 | 121.5° | 120.0° |
| O1 | N | O2 | 119.6° | 120.0° |
| O1 | N | C4 | 120.3° | 120.0° |
| O2 | N | C4 | 120.1° | 120.0° |
| N | C4 | C3 | 122.7° | 119.9° |
| N | C4 | C5 | 117.4° | 120.0° |
| O | C1 | C2 | 118.7° | 120.0° |
| O | C1 | C6 | 119.2° | 120.0° |
| C1 | O | HO | 109.5° | 114.0° |
| C2 | C1 | C6 | 121.9° | 119.9° |
| C1 | C2 | C3 | 117.4° | 119.9° |
| C1 | C2 | H2 | 121.3° | 120.0° |
| C1 | C6 | C5 | 120.2° | 120.0° |
| C1 | C6 | H6 | 119.9° | 120.0° |
| C2 | C3 | C4 | 121.0° | 120.0° |
| C3 | C2 | H2 | 121.3° | 120.1° |
| C3 | C4 | C5 | 119.9° | 120.1° |
| C4 | C5 | C6 | 119.5° | 120.1° |
| C4 | C5 | H5 | 120.3° | 119.9° |
| C6 | C5 | H5 | 120.3° | 120.0° |
| C5 | C6 | H6 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C3 | C4 | N | 0.3° | 0.0° |
| F | C3 | C2 | C1 | 180.0° | 180.0° |
| F | C3 | C2 | C4 | 179.3° | 180.0° |
| F | C3 | C4 | C5 | 179.4° | 180.0° |
| F | C3 | C2 | H2 | 0.0° | 0.1° |
| O1 | N | O2 | C4 | 179.2° | 179.8° |
| O1 | N | C4 | C3 | 160.5° | 180.0° |
| O1 | N | C4 | C5 | 19.7° | 0.1° |
| O2 | N | C4 | C3 | 20.3° | 0.3° |
| O2 | N | C4 | C5 | 159.5° | 179.7° |
| N | C4 | C3 | C2 | 178.9° | 180.0° |
| N | C4 | C3 | C5 | 179.8° | 180.0° |
| N | C4 | C5 | C6 | 179.4° | 179.7° |
| N | C4 | C5 | H5 | 0.6° | 0.0° |
| O | C1 | C2 | C6 | 175.7° | 179.8° |
| O | C1 | C2 | C3 | 177.3° | 180.0° |
| O | C1 | C6 | C5 | 179.0° | 179.7° |
| O | C1 | C2 | H2 | 2.7° | 0.0° |
| O | C1 | C6 | H6 | 1.0° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.7° | 0.0° |
| C2 | C1 | C6 | C5 | 3.3° | 0.6° |
| C2 | C1 | O | HO | 180.0° | 90.0° |
| C2 | C1 | C6 | H6 | 176.7° | 179.8° |
| C6 | C1 | C2 | C3 | 1.6° | 0.3° |
| C1 | C6 | C5 | C4 | 2.6° | 0.6° |
| C1 | C6 | C5 | H6 | 180.0° | 179.6° |
| C6 | C1 | O | HO | 4.2° | 90.2° |
| C6 | C1 | C2 | H2 | 178.4° | 179.8° |
| C1 | C6 | C5 | H5 | 177.4° | 179.7° |
| C2 | C3 | C4 | C5 | 1.4° | 0.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.3° |
| C4 | C3 | C2 | H2 | 179.3° | 179.9° |
| C3 | C4 | C5 | H5 | 179.7° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 177.4° | 179.8° |
| H5 | C5 | C6 | H6 | 2.6° | 0.1° |
