O4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| N | C3 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C1 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | N1 | sing | 1.39Å | 1.40Å | |
| N1 | C10 | sing | 1.47Å | 1.46Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | O | doub | 1.21Å | 1.23Å | |
| C11 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C12 | sing | 1.47Å | 1.47Å | |
| C12 | C14 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | C15 | sing | 1.47Å | 1.43Å | |
| C14 | C13 | sing | 1.53Å | 1.49Å | |
| C15 | N3 | trip | 1.14Å | 1.14Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C3 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N | C3 | 117.1° | 121.9° |
| N | C2 | C1 | 124.7° | 120.9° |
| N | C2 | H16 | 117.6° | 119.6° |
| N | C3 | C4 | 123.8° | 120.9° |
| N | C3 | H17 | 118.1° | 119.5° |
| C2 | C1 | C | 121.1° | 120.5° |
| C2 | C1 | C5 | 116.4° | 119.0° |
| C1 | C2 | H16 | 117.7° | 119.5° |
| C3 | C4 | C5 | 117.7° | 119.1° |
| C3 | C4 | H1 | 121.2° | 120.5° |
| C4 | C3 | H17 | 118.1° | 119.6° |
| C | C1 | C5 | 122.5° | 120.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.5° | 109.4° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C5 | C4 | 120.3° | 118.3° |
| C1 | C5 | N1 | 118.4° | 120.8° |
| C4 | C5 | N1 | 121.3° | 120.9° |
| C5 | C4 | H1 | 121.1° | 120.4° |
| C5 | N1 | C10 | 115.6° | 111.0° |
| C5 | N1 | C6 | 117.1° | 111.0° |
| C10 | N1 | C6 | 112.6° | 111.2° |
| N1 | C10 | C9 | 109.7° | 109.5° |
| N1 | C10 | H7 | 109.4° | 109.5° |
| N1 | C10 | H8 | 109.4° | 109.5° |
| N1 | C6 | C7 | 111.1° | 109.5° |
| N1 | C6 | H2 | 109.1° | 109.4° |
| N1 | C6 | H3 | 109.1° | 109.4° |
| C10 | C9 | C8 | 109.7° | 109.3° |
| C9 | C10 | H7 | 109.4° | 109.5° |
| C9 | C10 | H8 | 109.4° | 109.4° |
| C10 | C9 | H18 | 109.4° | 109.5° |
| C10 | C9 | H19 | 109.4° | 109.5° |
| C6 | C7 | C8 | 110.6° | 109.3° |
| C7 | C6 | H2 | 109.1° | 109.5° |
| C7 | C6 | H3 | 109.1° | 109.5° |
| C6 | C7 | H4 | 109.2° | 109.5° |
| C6 | C7 | H5 | 109.2° | 109.5° |
| C9 | C8 | C7 | 109.7° | 109.2° |
| C9 | C8 | C11 | 110.4° | 109.5° |
| C9 | C8 | H6 | 108.6° | 109.5° |
| C8 | C9 | H18 | 109.4° | 109.5° |
| C8 | C9 | H19 | 109.4° | 109.5° |
| C7 | C8 | C11 | 110.7° | 109.6° |
| C8 | C7 | H4 | 109.2° | 109.5° |
| C8 | C7 | H5 | 109.2° | 109.5° |
| C7 | C8 | H6 | 108.6° | 109.5° |
| C8 | C11 | O | 121.9° | 120.0° |
| C8 | C11 | N2 | 114.3° | 120.0° |
| C11 | C8 | H6 | 108.9° | 109.5° |
| O | C11 | N2 | 123.7° | 120.0° |
| C11 | N2 | C12 | 123.7° | 120.0° |
| C11 | N2 | H20 | 118.1° | 120.0° |
| N2 | C12 | C14 | 117.3° | 117.5° |
| N2 | C12 | C13 | 117.1° | 117.5° |
| N2 | C12 | C15 | 114.1° | 115.5° |
| C12 | N2 | H20 | 118.1° | 120.0° |
| C14 | C12 | C13 | 59.4° | 60.0° |
| C14 | C12 | C15 | 121.0° | 117.5° |
| C12 | C14 | C13 | 60.2° | 60.0° |
| C12 | C14 | H14 | 120.0° | 117.5° |
| C12 | C14 | H15 | 119.9° | 117.5° |
| C13 | C12 | C15 | 117.3° | 117.5° |
| C12 | C13 | C14 | 60.3° | 60.0° |
| C12 | C13 | H9 | 120.0° | 117.5° |
| C12 | C13 | H10 | 119.9° | 117.5° |
| C12 | C15 | N3 | 175.5° | 179.9° |
| C14 | C13 | H9 | 119.9° | 117.5° |
| C14 | C13 | H10 | 119.9° | 117.5° |
| C13 | C14 | H14 | 120.0° | 117.5° |
| C13 | C14 | H15 | 119.9° | 117.6° |
| H2 | C6 | H3 | 109.5° | 109.4° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 115.5° |
| H11 | C | H12 | 109.5° | 109.5° |
| H11 | C | H13 | 109.5° | 109.4° |
| H12 | C | H13 | 109.4° | 109.5° |
| H14 | C14 | H15 | 109.5° | 115.5° |
| H18 | C9 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C2 | C1 | H16 | 180.0° | 179.7° |
| C2 | N | C3 | C4 | 1.0° | 0.5° |
| N | C2 | C1 | C | 175.5° | 180.0° |
| N | C2 | C1 | C5 | 1.8° | 0.0° |
| C2 | N | C3 | H17 | 179.0° | 180.0° |
| C3 | N | C2 | C1 | 0.0° | 0.3° |
| N | C3 | C4 | H17 | 180.0° | 179.5° |
| N | C3 | C4 | C5 | 0.2° | 0.5° |
| N | C3 | C4 | H1 | 179.8° | 179.7° |
| C3 | N | C2 | H16 | 179.9° | 180.0° |
| C2 | C1 | C | C5 | 177.1° | 180.0° |
| C2 | C1 | C5 | C4 | 2.6° | 0.0° |
| C2 | C1 | C5 | N1 | 175.4° | 180.0° |
| C2 | C1 | C | H11 | 88.6° | 90.0° |
| C2 | C1 | C | H12 | 151.4° | 30.0° |
| C2 | C1 | C | H13 | 31.4° | 150.0° |
| C3 | C4 | C5 | C1 | 1.7° | 0.2° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | N1 | 176.2° | 179.7° |
| C | C1 | C5 | C4 | 174.7° | 180.0° |
| C | C1 | C5 | N1 | 7.4° | 0.0° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H13 | 120.0° | 120.0° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C | C1 | C2 | H16 | 4.6° | 0.3° |
| C1 | C5 | C4 | N1 | 177.9° | 180.0° |
| C1 | C5 | N1 | C10 | 96.0° | 120.0° |
| C1 | C5 | N1 | C6 | 127.8° | 115.8° |
| C1 | C5 | C4 | H1 | 178.3° | 180.0° |
| C5 | C1 | C | H11 | 88.5° | 90.0° |
| C5 | C1 | C | H12 | 31.5° | 150.0° |
| C5 | C1 | C | H13 | 151.5° | 30.0° |
| C5 | C1 | C2 | H16 | 178.2° | 179.7° |
| C4 | C5 | N1 | C10 | 86.1° | 60.1° |
| C4 | C5 | N1 | C6 | 50.2° | 64.2° |
| C5 | C4 | C3 | H17 | 179.8° | 180.0° |
| C5 | N1 | C10 | C6 | 138.2° | 124.1° |
| C5 | N1 | C10 | C9 | 161.5° | 174.2° |
| C5 | N1 | C6 | C7 | 164.7° | 174.2° |
| N1 | C5 | C4 | H1 | 3.8° | 0.0° |
| C5 | N1 | C6 | H2 | 75.0° | 65.8° |
| C5 | N1 | C6 | H3 | 44.5° | 54.1° |
| C5 | N1 | C10 | H7 | 41.5° | 54.1° |
| C5 | N1 | C10 | H8 | 78.5° | 65.9° |
| N1 | C10 | C9 | H7 | 120.0° | 120.0° |
| N1 | C10 | C9 | H8 | 120.1° | 120.0° |
| C10 | N1 | C6 | C7 | 57.7° | 61.7° |
| N1 | C10 | C9 | C8 | 59.5° | 59.2° |
| C10 | N1 | C6 | H2 | 62.5° | 58.3° |
| C10 | N1 | C6 | H3 | 178.0° | 178.2° |
| N1 | C10 | H7 | H8 | 119.9° | 120.0° |
| N1 | C10 | C9 | H18 | 60.5° | 179.1° |
| N1 | C10 | C9 | H19 | 179.6° | 60.8° |
| C6 | N1 | C10 | C9 | 60.3° | 61.7° |
| N1 | C6 | C7 | H2 | 120.2° | 120.0° |
| N1 | C6 | C7 | H3 | 120.2° | 120.0° |
| N1 | C6 | C7 | C8 | 54.1° | 59.2° |
| N1 | C6 | H2 | H3 | 119.3° | 119.9° |
| N1 | C6 | C7 | H4 | 174.3° | 179.1° |
| N1 | C6 | C7 | H5 | 66.0° | 60.8° |
| C6 | N1 | C10 | H7 | 179.6° | 178.2° |
| C6 | N1 | C10 | H8 | 59.7° | 58.3° |
| C10 | C9 | C8 | H18 | 120.0° | 119.9° |
| C10 | C9 | C8 | H19 | 120.0° | 120.0° |
| C10 | C9 | C8 | C7 | 57.1° | 57.6° |
| C10 | C9 | C8 | C11 | 179.3° | 177.6° |
| C10 | C9 | C8 | H6 | 61.4° | 62.3° |
| C9 | C10 | H7 | H8 | 119.9° | 119.9° |
| C10 | C9 | H18 | H19 | 119.9° | 120.1° |
| C6 | C7 | C8 | C9 | 54.3° | 57.6° |
| C6 | C7 | C8 | H4 | 120.2° | 119.9° |
| C6 | C7 | C8 | H5 | 120.2° | 119.9° |
| C6 | C7 | C8 | C11 | 176.4° | 177.6° |
| C7 | C6 | H2 | H3 | 119.3° | 120.0° |
| C6 | C7 | H4 | H5 | 119.5° | 120.1° |
| C6 | C7 | C8 | H6 | 64.2° | 62.3° |
| C9 | C8 | C7 | C11 | 122.1° | 119.9° |
| C9 | C8 | C7 | H6 | 118.5° | 119.9° |
| C9 | C8 | C11 | H6 | 119.1° | 120.1° |
| C9 | C8 | C11 | O | 31.7° | 119.7° |
| C9 | C8 | C11 | N2 | 149.8° | 60.3° |
| C9 | C8 | C7 | H4 | 174.5° | 177.6° |
| C9 | C8 | C7 | H5 | 65.9° | 62.3° |
| C8 | C9 | C10 | H7 | 179.5° | 179.2° |
| C8 | C9 | C10 | H8 | 60.5° | 60.8° |
| C8 | C9 | H18 | H19 | 119.9° | 120.1° |
| C7 | C8 | C11 | H6 | 119.3° | 120.2° |
| C7 | C8 | C11 | O | 89.9° | 0.0° |
| C7 | C8 | C11 | N2 | 88.6° | 180.0° |
| C8 | C7 | C6 | H2 | 66.1° | 60.8° |
| C8 | C7 | C6 | H3 | 174.4° | 179.2° |
| C8 | C7 | H4 | H5 | 119.5° | 120.1° |
| C7 | C8 | C9 | H18 | 62.9° | 177.6° |
| C7 | C8 | C9 | H19 | 177.1° | 62.3° |
| C8 | C11 | O | N2 | 178.4° | 179.9° |
| C8 | C11 | N2 | C12 | 175.8° | 180.0° |
| C11 | C8 | C7 | H4 | 63.5° | 62.5° |
| C11 | C8 | C7 | H5 | 56.2° | 57.6° |
| C11 | C8 | C9 | H18 | 59.3° | 62.5° |
| C11 | C8 | C9 | H19 | 60.6° | 57.6° |
| C8 | C11 | N2 | H20 | 4.2° | 0.0° |
| O | C11 | N2 | C12 | 2.7° | 0.0° |
| O | C11 | C8 | H6 | 150.8° | 120.2° |
| O | C11 | N2 | H20 | 177.3° | 180.0° |
| C11 | N2 | C12 | H20 | 180.0° | 180.0° |
| C11 | N2 | C12 | C14 | 54.4° | 180.0° |
| C11 | N2 | C12 | C13 | 122.1° | 111.4° |
| C11 | N2 | C12 | C15 | 95.6° | 34.3° |
| N2 | C11 | C8 | H6 | 30.7° | 59.8° |
| N2 | C12 | C14 | C13 | 106.9° | 107.5° |
| N2 | C12 | C14 | C15 | 147.7° | 145.0° |
| N2 | C12 | C13 | C15 | 141.1° | 145.0° |
| N2 | C12 | C15 | N3 | 153.5° | 161.8° |
| N2 | C12 | C13 | H9 | 143.3° | 145.0° |
| N2 | C12 | C13 | H10 | 2.4° | 0.0° |
| N2 | C12 | C14 | H14 | 2.7° | 145.0° |
| N2 | C12 | C14 | H15 | 143.6° | 0.1° |
| C14 | C12 | C13 | C15 | 111.7° | 107.5° |
| C12 | C14 | C13 | H14 | 109.6° | 107.5° |
| C12 | C14 | C13 | H15 | 109.5° | 107.5° |
| C14 | C12 | C15 | N3 | 4.8° | 52.6° |
| C14 | C12 | C13 | H9 | 109.5° | 107.5° |
| C14 | C12 | C13 | H10 | 109.6° | 107.5° |
| C12 | C14 | H14 | H15 | 144.6° | 145.6° |
| C14 | C12 | N2 | H20 | 125.6° | 0.0° |
| C13 | C12 | C15 | N3 | 64.3° | 16.1° |
| C12 | C13 | H9 | H10 | 144.6° | 145.7° |
| C13 | C12 | N2 | H20 | 57.9° | 68.6° |
| C15 | C12 | C13 | H9 | 2.1° | 0.0° |
| C15 | C12 | C13 | H10 | 138.8° | 145.0° |
| C15 | C12 | C14 | H14 | 145.1° | 0.0° |
| C15 | C12 | C14 | H15 | 4.1° | 144.9° |
| C15 | C12 | N2 | H20 | 84.4° | 145.7° |
| C14 | C13 | H9 | H10 | 144.6° | 145.6° |
| C13 | C14 | H14 | H15 | 144.6° | 145.7° |
| H1 | C4 | C3 | H17 | 0.2° | 0.3° |
| H2 | C6 | C7 | H4 | 54.1° | 59.1° |
| H2 | C6 | C7 | H5 | 173.7° | 179.2° |
| H3 | C6 | C7 | H4 | 65.5° | 60.9° |
| H3 | C6 | C7 | H5 | 54.2° | 59.3° |
| H4 | C7 | C8 | H6 | 56.0° | 57.6° |
| H5 | C7 | C8 | H6 | 175.7° | 177.8° |
| H6 | C8 | C9 | H18 | 178.6° | 57.6° |
| H6 | C8 | C9 | H19 | 58.6° | 177.8° |
| H7 | C10 | C9 | H18 | 59.5° | 60.9° |
| H7 | C10 | C9 | H19 | 60.4° | 59.2° |
| H8 | C10 | C9 | H18 | 179.4° | 59.1° |
| H8 | C10 | C9 | H19 | 59.5° | 179.2° |
| H9 | C13 | C14 | H14 | 140.9° | 0.0° |
| H9 | C13 | C14 | H15 | 0.1° | 145.0° |
| H10 | C13 | C14 | H14 | 0.0° | 145.0° |
| H10 | C13 | C14 | H15 | 140.9° | 0.0° |
| H11 | C | H12 | H13 | 120.0° | 120.0° |
