N0F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C3 | doub | 1.32Å | 1.34Å | Aromatic |
| N | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.42Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| N1 | C6 | sing | 1.35Å | 1.35Å | |
| O | C6 | doub | 1.21Å | 1.23Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | N2 | sing | 1.47Å | 1.49Å | |
| C8 | C14 | sing | 1.51Å | 1.51Å | |
| N2 | C13 | sing | 1.47Å | 1.47Å | |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| C14 | C17 | doub | 1.33Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C17 | S | sing | 1.76Å | 1.72Å | Aromatic |
| C15 | C16 | doub | 1.33Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C16 | S | sing | 1.76Å | 1.70Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | O1 | sing | 1.43Å | 1.43Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| O1 | H22 | sing | 0.97Å | 0.95Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N | C4 | 117.4° | 121.8° |
| N | C3 | C2 | 123.5° | 120.9° |
| N | C3 | H12 | 118.2° | 119.6° |
| N | C4 | C5 | 123.6° | 120.6° |
| N | C4 | H2 | 118.2° | 119.7° |
| C3 | C2 | C1 | 119.6° | 119.2° |
| C2 | C3 | H12 | 118.2° | 119.5° |
| C3 | C2 | H13 | 120.2° | 120.4° |
| C4 | C5 | C1 | 118.4° | 119.1° |
| C4 | C5 | N1 | 121.3° | 120.5° |
| C5 | C4 | H2 | 118.2° | 119.7° |
| C2 | C1 | C5 | 117.5° | 118.3° |
| C2 | C1 | C | 120.4° | 120.8° |
| C1 | C2 | H13 | 120.2° | 120.4° |
| C1 | C5 | N1 | 120.3° | 120.5° |
| C5 | C1 | C | 122.1° | 120.9° |
| C5 | N1 | C6 | 125.3° | 120.0° |
| C5 | N1 | H1 | 117.3° | 120.0° |
| C1 | C | H14 | 109.5° | 109.4° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C | H16 | 109.5° | 109.4° |
| N1 | C6 | O | 123.6° | 120.0° |
| N1 | C6 | C7 | 114.6° | 120.0° |
| C6 | N1 | H1 | 117.4° | 120.0° |
| O | C6 | C7 | 121.7° | 120.0° |
| C6 | C7 | C8 | 114.4° | 109.5° |
| C6 | C7 | H3 | 108.2° | 109.5° |
| C6 | C7 | H4 | 108.3° | 109.5° |
| C7 | C8 | N2 | 111.2° | 109.5° |
| C7 | C8 | C14 | 115.7° | 109.5° |
| C8 | C7 | H3 | 108.2° | 109.5° |
| C8 | C7 | H4 | 108.2° | 109.5° |
| C7 | C8 | H5 | 104.3° | 109.5° |
| N2 | C8 | C14 | 114.8° | 109.5° |
| C8 | N2 | C13 | 115.6° | 111.0° |
| C8 | N2 | C9 | 115.3° | 111.0° |
| N2 | C8 | H5 | 104.8° | 109.5° |
| C8 | C14 | C17 | 123.8° | 122.5° |
| C8 | C14 | C15 | 125.3° | 122.5° |
| C14 | C8 | H5 | 104.6° | 109.5° |
| C13 | N2 | C9 | 110.0° | 111.2° |
| N2 | C13 | C12 | 111.5° | 109.5° |
| N2 | C13 | H8 | 109.0° | 109.5° |
| N2 | C13 | H9 | 109.0° | 109.4° |
| N2 | C9 | C10 | 111.0° | 109.5° |
| N2 | C9 | H23 | 109.1° | 109.5° |
| N2 | C9 | H24 | 109.1° | 109.5° |
| C17 | C14 | C15 | 110.9° | 114.9° |
| C14 | C17 | S | 112.2° | 109.6° |
| C14 | C17 | H11 | 123.9° | 125.2° |
| C14 | C15 | C16 | 113.7° | 114.9° |
| C14 | C15 | H10 | 123.1° | 122.6° |
| C13 | C12 | C11 | 111.3° | 109.3° |
| C12 | C13 | H8 | 109.0° | 109.5° |
| C12 | C13 | H9 | 109.0° | 109.4° |
| C13 | C12 | H19 | 109.0° | 109.5° |
| C13 | C12 | H20 | 109.0° | 109.5° |
| C17 | S | C16 | 92.7° | 91.0° |
| S | C17 | H11 | 123.9° | 125.2° |
| C15 | C16 | S | 110.4° | 109.6° |
| C16 | C15 | H10 | 123.1° | 122.5° |
| C15 | C16 | H17 | 124.8° | 125.2° |
| C12 | C11 | C10 | 111.8° | 109.1° |
| C12 | C11 | O1 | 110.2° | 109.5° |
| C11 | C12 | H19 | 109.0° | 109.5° |
| C11 | C12 | H20 | 109.0° | 109.5° |
| C12 | C11 | H21 | 107.9° | 109.5° |
| S | C16 | H17 | 124.8° | 125.2° |
| C9 | C10 | C11 | 111.5° | 109.3° |
| C9 | C10 | H6 | 109.0° | 109.5° |
| C9 | C10 | H7 | 109.0° | 109.5° |
| C10 | C9 | H23 | 109.1° | 109.4° |
| C10 | C9 | H24 | 109.0° | 109.4° |
| C10 | C11 | O1 | 109.9° | 109.6° |
| C11 | C10 | H6 | 109.0° | 109.5° |
| C11 | C10 | H7 | 109.0° | 109.5° |
| C10 | C11 | H21 | 107.9° | 109.6° |
| O1 | C11 | H21 | 109.0° | 109.6° |
| C11 | O1 | H22 | 109.5° | 114.0° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H14 | C | H15 | 109.5° | 109.5° |
| H14 | C | H16 | 109.4° | 109.5° |
| H15 | C | H16 | 109.5° | 109.6° |
| H19 | C12 | H20 | 109.5° | 109.6° |
| H23 | C9 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C3 | C2 | H12 | 180.0° | 180.0° |
| C3 | N | C4 | C5 | 0.7° | 0.0° |
| N | C3 | C2 | C1 | 0.0° | 0.3° |
| C3 | N | C4 | H2 | 179.3° | 179.7° |
| N | C3 | C2 | H13 | 180.0° | 180.0° |
| C4 | N | C3 | C2 | 0.7° | 0.0° |
| N | C4 | C5 | H2 | 180.0° | 179.7° |
| N | C4 | C5 | C1 | 0.1° | 0.3° |
| N | C4 | C5 | N1 | 177.7° | 179.7° |
| C4 | N | C3 | H12 | 179.3° | 180.0° |
| C3 | C2 | C1 | H13 | 180.0° | 179.7° |
| C3 | C2 | C1 | C5 | 0.6° | 0.6° |
| C3 | C2 | C1 | C | 177.4° | 180.0° |
| C4 | C5 | C1 | C2 | 0.5° | 0.5° |
| C4 | C5 | C1 | N1 | 177.8° | 180.0° |
| C4 | C5 | C1 | C | 177.4° | 180.0° |
| C4 | C5 | N1 | C6 | 82.8° | 24.4° |
| C4 | C5 | N1 | H1 | 97.2° | 155.3° |
| C2 | C1 | C5 | C | 177.9° | 179.5° |
| C2 | C1 | C5 | N1 | 178.4° | 179.5° |
| C1 | C2 | C3 | H12 | 180.0° | 179.7° |
| C2 | C1 | C | H14 | 91.0° | 89.5° |
| C2 | C1 | C | H15 | 149.0° | 30.5° |
| C2 | C1 | C | H16 | 29.0° | 150.6° |
| C1 | C5 | N1 | C6 | 94.9° | 155.6° |
| C1 | C5 | N1 | H1 | 85.0° | 24.7° |
| C1 | C5 | C4 | H2 | 179.9° | 180.0° |
| C5 | C1 | C2 | H13 | 179.4° | 179.7° |
| C5 | C1 | C | H14 | 91.1° | 90.0° |
| C5 | C1 | C | H15 | 28.9° | 150.0° |
| C5 | C1 | C | H16 | 148.9° | 30.0° |
| N1 | C5 | C1 | C | 0.4° | 0.0° |
| C5 | N1 | C6 | H1 | 180.0° | 179.8° |
| C5 | N1 | C6 | O | 7.8° | 5.5° |
| C5 | N1 | C6 | C7 | 171.2° | 174.5° |
| N1 | C5 | C4 | H2 | 2.3° | 0.0° |
| C | C1 | C2 | H13 | 2.6° | 0.2° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H16 | 120.0° | 119.9° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| N1 | C6 | O | C7 | 178.9° | 180.0° |
| N1 | C6 | C7 | C8 | 123.0° | 175.4° |
| N1 | C6 | C7 | H3 | 2.3° | 55.4° |
| N1 | C6 | C7 | H4 | 116.2° | 64.6° |
| O | C6 | C7 | C8 | 58.0° | 4.6° |
| O | C6 | N1 | H1 | 172.2° | 174.7° |
| O | C6 | C7 | H3 | 178.7° | 124.6° |
| O | C6 | C7 | H4 | 62.8° | 115.4° |
| C6 | C7 | C8 | H3 | 120.7° | 120.0° |
| C6 | C7 | C8 | H4 | 120.8° | 120.0° |
| C6 | C7 | C8 | N2 | 50.6° | 173.9° |
| C6 | C7 | C8 | C14 | 176.1° | 66.1° |
| C7 | C6 | N1 | H1 | 8.8° | 5.2° |
| C6 | C7 | H3 | H4 | 117.8° | 120.0° |
| C6 | C7 | C8 | H5 | 61.9° | 53.9° |
| C7 | C8 | N2 | C14 | 133.7° | 120.0° |
| C7 | C8 | N2 | H5 | 112.1° | 120.0° |
| C7 | C8 | C14 | H5 | 114.1° | 120.0° |
| C7 | C8 | N2 | C13 | 68.5° | 175.7° |
| C7 | C8 | N2 | C9 | 161.2° | 51.4° |
| C7 | C8 | C14 | C17 | 110.0° | 80.0° |
| C7 | C8 | C14 | C15 | 68.9° | 99.9° |
| C8 | C7 | H3 | H4 | 117.7° | 120.0° |
| N2 | C8 | C14 | H5 | 114.3° | 120.0° |
| C8 | N2 | C13 | C9 | 132.8° | 124.1° |
| N2 | C8 | C14 | C17 | 118.4° | 40.0° |
| N2 | C8 | C14 | C15 | 62.7° | 140.1° |
| C8 | N2 | C13 | C12 | 166.8° | 174.2° |
| C8 | N2 | C9 | C10 | 166.6° | 174.2° |
| N2 | C8 | C7 | H3 | 70.2° | 53.8° |
| N2 | C8 | C7 | H4 | 171.3° | 66.2° |
| C8 | N2 | C13 | H8 | 46.5° | 54.1° |
| C8 | N2 | C13 | H9 | 72.9° | 65.9° |
| C8 | N2 | C9 | H23 | 73.2° | 54.2° |
| C8 | N2 | C9 | H24 | 46.4° | 65.9° |
| C14 | C8 | N2 | C13 | 65.2° | 64.3° |
| C14 | C8 | N2 | C9 | 65.1° | 171.5° |
| C8 | C14 | C17 | C15 | 179.0° | 179.9° |
| C8 | C14 | C17 | S | 178.9° | 179.8° |
| C8 | C14 | C15 | C16 | 179.3° | 180.0° |
| C14 | C8 | C7 | H3 | 63.2° | 173.9° |
| C14 | C8 | C7 | H4 | 55.4° | 53.9° |
| C8 | C14 | C15 | H10 | 0.7° | 0.2° |
| C8 | C14 | C17 | H11 | 1.1° | 0.1° |
| N2 | C13 | C12 | H8 | 120.3° | 120.1° |
| N2 | C13 | C12 | H9 | 120.3° | 120.0° |
| N2 | C13 | C12 | C11 | 55.1° | 59.1° |
| C13 | N2 | C9 | C10 | 60.5° | 61.8° |
| C13 | N2 | C8 | H5 | 179.4° | 55.7° |
| N2 | C13 | H8 | H9 | 119.1° | 120.0° |
| N2 | C13 | C12 | H19 | 65.1° | 60.8° |
| N2 | C13 | C12 | H20 | 175.4° | 179.0° |
| C13 | N2 | C9 | H23 | 59.8° | 178.3° |
| C13 | N2 | C9 | H24 | 179.3° | 58.2° |
| C9 | N2 | C13 | C12 | 60.4° | 61.7° |
| N2 | C9 | C10 | H23 | 120.2° | 120.0° |
| N2 | C9 | C10 | H24 | 120.2° | 120.0° |
| N2 | C9 | C10 | C11 | 55.6° | 59.2° |
| C9 | N2 | C8 | H5 | 49.1° | 68.5° |
| N2 | C9 | C10 | H6 | 175.9° | 60.8° |
| N2 | C9 | C10 | H7 | 64.7° | 179.1° |
| C9 | N2 | C13 | H8 | 179.3° | 178.2° |
| C9 | N2 | C13 | H9 | 59.9° | 58.2° |
| N2 | C9 | H23 | H24 | 119.3° | 120.1° |
| C14 | C17 | S | H11 | 180.0° | 179.7° |
| C17 | C14 | C15 | C16 | 0.4° | 0.1° |
| C14 | C17 | S | C16 | 0.4° | 0.3° |
| C17 | C14 | C8 | H5 | 4.1° | 160.0° |
| C17 | C14 | C15 | H10 | 179.6° | 179.7° |
| C15 | C14 | C17 | S | 0.1° | 0.3° |
| C14 | C15 | C16 | H10 | 180.0° | 179.8° |
| C14 | C15 | C16 | S | 0.7° | 0.2° |
| C15 | C14 | C8 | H5 | 177.0° | 20.0° |
| C15 | C14 | C17 | H11 | 179.9° | 180.0° |
| C14 | C15 | C16 | H17 | 179.3° | 179.7° |
| C13 | C12 | C11 | H19 | 120.3° | 119.9° |
| C13 | C12 | C11 | H20 | 120.3° | 119.9° |
| C13 | C12 | C11 | C10 | 49.8° | 57.6° |
| C13 | C12 | C11 | O1 | 172.4° | 177.6° |
| C12 | C13 | H8 | H9 | 119.1° | 120.0° |
| C13 | C12 | H19 | H20 | 119.2° | 120.1° |
| C13 | C12 | C11 | H21 | 68.7° | 62.3° |
| C17 | S | C16 | C15 | 0.6° | 0.3° |
| C17 | S | C16 | H17 | 179.4° | 179.6° |
| C15 | C16 | S | H17 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 50.2° | 57.7° |
| C12 | C11 | C10 | O1 | 122.7° | 119.9° |
| C12 | C11 | C10 | H21 | 118.5° | 119.9° |
| C12 | C11 | O1 | H21 | 118.3° | 120.1° |
| C12 | C11 | C10 | H6 | 170.5° | 62.3° |
| C12 | C11 | C10 | H7 | 70.1° | 177.6° |
| C11 | C12 | C13 | H8 | 175.4° | 179.2° |
| C11 | C12 | C13 | H9 | 65.1° | 60.8° |
| C11 | C12 | H19 | H20 | 119.2° | 120.1° |
| C12 | C11 | O1 | H22 | 180.0° | 60.3° |
| S | C16 | C15 | H10 | 179.3° | 180.0° |
| C16 | S | C17 | H11 | 179.6° | 180.0° |
| C9 | C10 | C11 | H6 | 120.3° | 120.0° |
| C9 | C10 | C11 | H7 | 120.3° | 119.9° |
| C9 | C10 | C11 | O1 | 172.9° | 177.5° |
| C9 | C10 | H6 | H7 | 119.1° | 120.1° |
| C9 | C10 | C11 | H21 | 68.3° | 62.2° |
| C10 | C9 | H23 | H24 | 119.2° | 119.9° |
| C10 | C11 | O1 | H21 | 118.1° | 120.2° |
| C11 | C10 | H6 | H7 | 119.1° | 120.0° |
| C10 | C11 | C12 | H19 | 70.4° | 62.2° |
| C10 | C11 | C12 | H20 | 170.1° | 177.5° |
| C10 | C11 | O1 | H22 | 56.4° | 180.0° |
| C11 | C10 | C9 | H23 | 64.6° | 179.2° |
| C11 | C10 | C9 | H24 | 175.9° | 60.8° |
| O1 | C11 | C10 | H6 | 66.8° | 57.6° |
| O1 | C11 | C10 | H7 | 52.6° | 62.5° |
| O1 | C11 | C12 | H19 | 52.1° | 57.7° |
| O1 | C11 | C12 | H20 | 67.3° | 62.6° |
| H3 | C7 | C8 | H5 | 177.4° | 66.2° |
| H4 | C7 | C8 | H5 | 58.9° | 173.8° |
| H6 | C10 | C11 | H21 | 52.0° | 177.8° |
| H6 | C10 | C9 | H23 | 55.7° | 59.3° |
| H6 | C10 | C9 | H24 | 63.8° | 179.2° |
| H7 | C10 | C11 | H21 | 171.3° | 57.7° |
| H7 | C10 | C9 | H23 | 175.1° | 60.9° |
| H7 | C10 | C9 | H24 | 55.6° | 59.1° |
| H8 | C13 | C12 | H19 | 55.2° | 59.3° |
| H8 | C13 | C12 | H20 | 64.3° | 60.9° |
| H9 | C13 | C12 | H19 | 174.6° | 179.3° |
| H9 | C13 | C12 | H20 | 55.1° | 59.1° |
| H10 | C15 | C16 | H17 | 0.7° | 0.1° |
| H12 | C3 | C2 | H13 | 0.0° | 0.0° |
| H14 | C | H15 | H16 | 120.0° | 120.1° |
| H19 | C12 | C11 | H21 | 171.0° | 177.8° |
| H20 | C12 | C11 | H21 | 51.6° | 57.6° |
| H21 | C11 | O1 | H22 | 61.7° | 59.8° |
