KNP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C5 | sing | 1.35Å | 1.34Å | |
| F2 | C7 | sing | 1.35Å | 1.34Å | |
| O1 | C1 | sing | 1.34Å | 1.34Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| O2 | C6 | sing | 1.36Å | 1.38Å | |
| O3 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C5 | C4 | 119.1° | 120.1° |
| F1 | C5 | C6 | 120.9° | 120.0° |
| F2 | C7 | C6 | 120.1° | 120.0° |
| F2 | C7 | C8 | 119.6° | 120.1° |
| C1 | O1 | H1 | 109.5° | 117.0° |
| O1 | C1 | O3 | 123.2° | 120.0° |
| O1 | C1 | C2 | 117.9° | 120.0° |
| C2 | O2 | C6 | 117.7° | 117.0° |
| O2 | C2 | C1 | 111.9° | 109.5° |
| O2 | C2 | H2 | 108.7° | 109.4° |
| O2 | C2 | H3 | 108.7° | 109.5° |
| O2 | C6 | C5 | 120.6° | 120.1° |
| O2 | C6 | C7 | 119.6° | 120.1° |
| O3 | C1 | C2 | 118.9° | 120.0° |
| C1 | C2 | H2 | 108.7° | 109.5° |
| C1 | C2 | H3 | 108.7° | 109.5° |
| H2 | C2 | H3 | 110.3° | 109.5° |
| C4 | C3 | C8 | 119.9° | 120.1° |
| C4 | C3 | H4 | 120.0° | 119.9° |
| C3 | C4 | C5 | 120.0° | 120.1° |
| C3 | C4 | H5 | 120.0° | 119.9° |
| C8 | C3 | H4 | 120.1° | 119.9° |
| C3 | C8 | C7 | 120.0° | 120.1° |
| C3 | C8 | H6 | 120.0° | 119.9° |
| C5 | C4 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | 120.0° | 119.9° |
| C5 | C6 | C7 | 119.9° | 119.8° |
| C6 | C7 | C8 | 120.2° | 119.9° |
| C7 | C8 | H6 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C5 | C6 | O2 | 0.6° | 0.0° |
| F1 | C5 | C4 | C3 | 179.6° | 180.0° |
| F1 | C5 | C4 | C6 | 179.8° | 179.9° |
| F1 | C5 | C4 | H5 | 0.4° | 0.1° |
| F1 | C5 | C6 | C7 | 179.8° | 180.0° |
| F2 | C7 | C6 | O2 | 0.6° | 0.0° |
| F2 | C7 | C8 | C3 | 179.8° | 180.0° |
| F2 | C7 | C6 | C5 | 179.8° | 180.0° |
| F2 | C7 | C6 | C8 | 179.6° | 180.0° |
| F2 | C7 | C8 | H6 | 0.2° | 0.0° |
| O1 | C1 | C2 | O2 | 11.8° | 180.0° |
| O1 | C1 | O3 | C2 | 179.8° | 180.0° |
| O1 | C1 | C2 | H2 | 131.8° | 60.0° |
| O1 | C1 | C2 | H3 | 108.2° | 60.0° |
| H1 | O1 | C1 | O3 | 0.0° | 0.0° |
| H1 | O1 | C1 | C2 | 179.8° | 180.0° |
| O2 | C2 | C1 | O3 | 168.4° | 0.0° |
| O2 | C2 | C1 | H2 | 120.0° | 120.0° |
| O2 | C2 | C1 | H3 | 120.0° | 120.0° |
| O2 | C2 | H2 | H3 | 119.0° | 120.0° |
| C2 | O2 | C6 | C5 | 75.3° | 90.0° |
| C2 | O2 | C6 | C7 | 103.9° | 90.0° |
| C6 | O2 | C2 | C1 | 159.3° | 180.0° |
| C6 | O2 | C2 | H2 | 80.8° | 60.0° |
| C6 | O2 | C2 | H3 | 39.3° | 60.0° |
| O2 | C6 | C5 | C4 | 179.6° | 180.0° |
| O2 | C6 | C5 | C7 | 179.2° | 180.0° |
| O2 | C6 | C7 | C8 | 179.8° | 180.0° |
| O3 | C1 | C2 | H2 | 48.4° | 120.0° |
| O3 | C1 | C2 | H3 | 71.6° | 120.0° |
| C1 | C2 | H2 | H3 | 119.0° | 120.0° |
| C4 | C3 | C8 | H4 | 180.0° | 179.8° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C4 | C3 | C8 | C7 | 0.4° | 0.1° |
| C4 | C3 | C8 | H6 | 179.6° | 180.0° |
| C8 | C3 | C4 | C5 | 0.6° | 0.1° |
| C8 | C3 | C4 | H5 | 179.4° | 180.0° |
| C3 | C8 | C7 | C6 | 0.2° | 0.1° |
| C3 | C8 | C7 | H6 | 180.0° | 179.9° |
| H4 | C3 | C4 | C5 | 179.4° | 179.7° |
| H4 | C3 | C4 | H5 | 0.6° | 0.2° |
| H4 | C3 | C8 | C7 | 179.6° | 179.7° |
| H4 | C3 | C8 | H6 | 0.4° | 0.2° |
| C4 | C5 | C6 | C7 | 0.4° | 0.1° |
| H5 | C4 | C5 | C6 | 179.8° | 180.0° |
| C5 | C6 | C7 | C8 | 0.6° | 0.1° |
| C6 | C7 | C8 | H6 | 179.8° | 180.0° |
