O2F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N1 | sing | 1.47Å | 1.49Å | |
| C4 | C6 | sing | 1.54Å | 1.54Å | |
| N1 | C3 | sing | 1.48Å | 1.47Å | |
| O2 | C9 | doub | 1.21Å | 1.19Å | |
| C6 | S | sing | 1.81Å | 1.81Å | |
| C6 | C5 | sing | 1.55Å | 1.55Å | |
| O1 | C9 | sing | 1.35Å | 1.30Å | |
| C9 | C8 | sing | 1.48Å | 1.47Å | |
| O3 | C12 | doub | 1.21Å | 1.25Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C3 | C5 | sing | 1.55Å | 1.54Å | |
| C3 | C | sing | 1.51Å | 1.53Å | |
| S | C7 | sing | 1.81Å | 1.84Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C8 | N2 | doub | 1.27Å | 1.28Å | |
| C | N | sing | 1.35Å | 1.35Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| N | C2 | sing | 1.47Å | 1.47Å | |
| C7 | C15 | sing | 1.55Å | 1.55Å | |
| N2 | C10 | sing | 1.47Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C10 | C15 | sing | 1.55Å | 1.57Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C13 | O4 | sing | 1.43Å | 1.44Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 1.01Å | 1.00Å | |
| O1 | H17 | sing | 0.97Å | 0.95Å | |
| O4 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C4 | C6 | 108.3° | 107.2° |
| C4 | N1 | C3 | 108.8° | 108.6° |
| N1 | C4 | H13 | 109.7° | 109.9° |
| N1 | C4 | H14 | 109.8° | 109.9° |
| C4 | N1 | H12 | 109.7° | 111.0° |
| C4 | C6 | S | 112.3° | 110.7° |
| C4 | C6 | C5 | 104.1° | 103.1° |
| C6 | C4 | H13 | 109.8° | 109.9° |
| C6 | C4 | H14 | 109.8° | 109.9° |
| C4 | C6 | H1 | 110.4° | 110.7° |
| N1 | C3 | C5 | 108.4° | 104.8° |
| N1 | C3 | C | 111.8° | 110.4° |
| N1 | C3 | H | 108.8° | 110.5° |
| C3 | N1 | H12 | 109.6° | 111.0° |
| O2 | C9 | O1 | 124.6° | 120.0° |
| O2 | C9 | C8 | 120.8° | 120.0° |
| S | C6 | C5 | 112.3° | 110.7° |
| C6 | S | C7 | 99.5° | 103.0° |
| S | C6 | H1 | 107.3° | 110.6° |
| C6 | C5 | C3 | 106.6° | 101.6° |
| C6 | C5 | H16 | 110.2° | 111.0° |
| C6 | C5 | H15 | 110.2° | 111.1° |
| C5 | C6 | H1 | 110.4° | 110.8° |
| O1 | C9 | C8 | 114.6° | 120.0° |
| C9 | O1 | H17 | 109.5° | 117.0° |
| C9 | C8 | C7 | 125.3° | 124.4° |
| C9 | C8 | N2 | 116.0° | 124.4° |
| O3 | C12 | C11 | 123.0° | 120.0° |
| O3 | C12 | H19 | 118.5° | 120.0° |
| C1 | N | C | 124.9° | 120.0° |
| C1 | N | C2 | 115.8° | 120.0° |
| N | C1 | H7 | 109.5° | 109.5° |
| N | C1 | H8 | 109.4° | 109.5° |
| N | C1 | H6 | 109.4° | 109.5° |
| C5 | C3 | C | 111.7° | 110.4° |
| C5 | C3 | H | 108.0° | 110.3° |
| C3 | C5 | H16 | 110.2° | 110.9° |
| C3 | C5 | H15 | 110.2° | 111.0° |
| C3 | C | N | 119.3° | 120.0° |
| C3 | C | O | 119.1° | 119.9° |
| C | C3 | H | 108.0° | 110.3° |
| S | C7 | C8 | 109.4° | 110.7° |
| S | C7 | C15 | 114.1° | 110.5° |
| S | C7 | H2 | 109.1° | 110.5° |
| C7 | C8 | N2 | 118.3° | 111.2° |
| C8 | C7 | C15 | 97.7° | 103.8° |
| C8 | C7 | H2 | 113.5° | 110.6° |
| C8 | N2 | C10 | 109.4° | 112.6° |
| N | C | O | 121.6° | 120.0° |
| C | N | C2 | 119.3° | 120.0° |
| C12 | C11 | C10 | 111.4° | 109.4° |
| C12 | C11 | C13 | 101.2° | 109.5° |
| C12 | C11 | H18 | 111.3° | 109.4° |
| C11 | C12 | H19 | 118.5° | 120.0° |
| N | C2 | H11 | 109.5° | 109.4° |
| N | C2 | H9 | 109.4° | 109.5° |
| N | C2 | H10 | 109.5° | 109.5° |
| C7 | C15 | C10 | 105.8° | 100.8° |
| C7 | C15 | C16 | 114.2° | 111.1° |
| C15 | C7 | H2 | 112.8° | 110.5° |
| C7 | C15 | H5 | 106.4° | 111.1° |
| N2 | C10 | C11 | 105.3° | 110.3° |
| N2 | C10 | C15 | 102.9° | 105.1° |
| N2 | C10 | H3 | 111.0° | 110.5° |
| C10 | C11 | C13 | 111.0° | 109.5° |
| C11 | C10 | C15 | 117.6° | 110.3° |
| C10 | C11 | H18 | 110.6° | 109.5° |
| C11 | C10 | H3 | 110.0° | 110.2° |
| C11 | C13 | C14 | 112.4° | 109.5° |
| C11 | C13 | O4 | 109.3° | 109.5° |
| C13 | C11 | H18 | 111.0° | 109.5° |
| C11 | C13 | H4 | 108.0° | 109.4° |
| C10 | C15 | C16 | 116.7° | 111.2° |
| C10 | C15 | H5 | 106.3° | 111.2° |
| C15 | C10 | H3 | 109.7° | 110.4° |
| C14 | C13 | O4 | 109.8° | 109.5° |
| C14 | C13 | H4 | 108.1° | 109.5° |
| C13 | C14 | H20 | 109.5° | 109.5° |
| C13 | C14 | H22 | 109.4° | 109.4° |
| C13 | C14 | H21 | 109.4° | 109.5° |
| C16 | C15 | H5 | 106.7° | 111.0° |
| C15 | C16 | H25 | 109.5° | 109.5° |
| C15 | C16 | H24 | 109.5° | 109.5° |
| C15 | C16 | H26 | 109.5° | 109.4° |
| O4 | C13 | H4 | 109.2° | 109.5° |
| C13 | O4 | H23 | 109.5° | 114.1° |
| H7 | C1 | H8 | 109.4° | 109.4° |
| H7 | C1 | H6 | 109.5° | 109.4° |
| H8 | C1 | H6 | 109.5° | 109.5° |
| H11 | C2 | H9 | 109.5° | 109.4° |
| H11 | C2 | H10 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.5° | 109.5° |
| H13 | C4 | H14 | 109.4° | 110.1° |
| H16 | C5 | H15 | 109.5° | 110.8° |
| H25 | C16 | H24 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.4° | 109.5° |
| H24 | C16 | H26 | 109.4° | 109.4° |
| H20 | C14 | H22 | 109.4° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.4° |
| H22 | C14 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C4 | C6 | H13 | 119.8° | 119.3° |
| N1 | C4 | C6 | H14 | 119.8° | 119.4° |
| C4 | N1 | C3 | H12 | 119.9° | 122.3° |
| N1 | C4 | C6 | S | 102.8° | 140.6° |
| N1 | C4 | C6 | C5 | 19.0° | 22.2° |
| C4 | N1 | C3 | C5 | 1.1° | 24.1° |
| C4 | N1 | C3 | C | 124.6° | 142.9° |
| C4 | N1 | C3 | H | 116.2° | 94.8° |
| N1 | C4 | H13 | H14 | 120.5° | 121.2° |
| N1 | C4 | C6 | H1 | 137.5° | 96.3° |
| C6 | C4 | N1 | C3 | 12.8° | 1.0° |
| C4 | C6 | S | C5 | 117.0° | 113.6° |
| C4 | C6 | S | H1 | 121.6° | 123.1° |
| C4 | C6 | C5 | H1 | 118.5° | 118.5° |
| C4 | C6 | C5 | C3 | 18.0° | 35.6° |
| C4 | C6 | S | C7 | 179.9° | 64.9° |
| C6 | C4 | H13 | H14 | 120.5° | 121.2° |
| C4 | C6 | C5 | H16 | 101.6° | 82.4° |
| C4 | C6 | C5 | H15 | 137.6° | 153.8° |
| C6 | C4 | N1 | H12 | 107.1° | 121.3° |
| N1 | C3 | C5 | C6 | 11.0° | 37.0° |
| N1 | C3 | C5 | C | 123.6° | 118.9° |
| N1 | C3 | C5 | H | 117.8° | 118.9° |
| N1 | C3 | C | H | 119.8° | 122.4° |
| N1 | C3 | C | N | 36.2° | 164.7° |
| N1 | C3 | C | O | 145.2° | 15.4° |
| C3 | N1 | C4 | H13 | 107.0° | 120.3° |
| C3 | N1 | C4 | H14 | 132.7° | 118.4° |
| N1 | C3 | C5 | H16 | 108.6° | 81.1° |
| N1 | C3 | C5 | H15 | 130.5° | 155.2° |
| O2 | C9 | O1 | C8 | 177.8° | 179.9° |
| O2 | C9 | C8 | C7 | 149.8° | 4.6° |
| O2 | C9 | C8 | N2 | 22.8° | 175.4° |
| O2 | C9 | O1 | H17 | 0.0° | 0.0° |
| S | C6 | C5 | H1 | 119.7° | 123.1° |
| S | C6 | C5 | C3 | 103.8° | 154.0° |
| C6 | S | C7 | C8 | 107.2° | 175.9° |
| C6 | S | C7 | C15 | 144.6° | 69.6° |
| S | C6 | C4 | H13 | 137.4° | 21.3° |
| S | C6 | C4 | H14 | 17.1° | 99.9° |
| S | C6 | C5 | H16 | 136.7° | 36.0° |
| S | C6 | C5 | H15 | 15.8° | 87.8° |
| C6 | S | C7 | H2 | 17.5° | 53.0° |
| C6 | C5 | C3 | H16 | 119.6° | 118.1° |
| C6 | C5 | C3 | H15 | 119.6° | 118.2° |
| C6 | C5 | C3 | C | 112.7° | 155.9° |
| C5 | C6 | S | C7 | 63.1° | 178.6° |
| C6 | C5 | C3 | H | 128.7° | 81.9° |
| C5 | C6 | C4 | H13 | 100.8° | 97.1° |
| C5 | C6 | C4 | H14 | 138.9° | 141.7° |
| C6 | C5 | H16 | H15 | 121.3° | 123.9° |
| O1 | C9 | C8 | C7 | 32.3° | 175.4° |
| O1 | C9 | C8 | N2 | 155.0° | 4.5° |
| C9 | C8 | C7 | S | 67.3° | 45.5° |
| C9 | C8 | C7 | N2 | 172.5° | 180.0° |
| C9 | C8 | C7 | C15 | 173.7° | 164.1° |
| C9 | C8 | N2 | C10 | 172.0° | 179.8° |
| C9 | C8 | C7 | H2 | 54.8° | 77.3° |
| C8 | C9 | O1 | H17 | 177.8° | 180.0° |
| O3 | C12 | C11 | H19 | 180.0° | 179.9° |
| O3 | C12 | C11 | C10 | 124.3° | 120.0° |
| O3 | C12 | C11 | C13 | 117.6° | 120.0° |
| O3 | C12 | C11 | H18 | 0.4° | 0.0° |
| C1 | N | C | C3 | 25.7° | 180.0° |
| C1 | N | C | C2 | 179.9° | 179.9° |
| C1 | N | C | O | 155.8° | 0.1° |
| N | C1 | H7 | H8 | 120.0° | 120.0° |
| N | C1 | H7 | H6 | 120.0° | 120.0° |
| N | C1 | H8 | H6 | 120.0° | 120.1° |
| C1 | N | C2 | H11 | 180.0° | 90.0° |
| C1 | N | C2 | H9 | 60.0° | 150.1° |
| C1 | N | C2 | H10 | 60.0° | 30.0° |
| C5 | C3 | C | H | 118.6° | 122.2° |
| C5 | C3 | C | N | 85.4° | 79.9° |
| C5 | C3 | C | O | 93.1° | 100.0° |
| C3 | C5 | H16 | H15 | 121.3° | 123.8° |
| C3 | C5 | C6 | H1 | 136.5° | 82.9° |
| C5 | C3 | N1 | H12 | 118.9° | 98.2° |
| C3 | C | N | O | 178.5° | 180.0° |
| C3 | C | N | C2 | 154.4° | 0.0° |
| C | C3 | C5 | H16 | 127.8° | 37.8° |
| C | C3 | C5 | H15 | 6.9° | 85.9° |
| C | C3 | N1 | H12 | 4.6° | 20.6° |
| S | C7 | C8 | C15 | 119.0° | 118.6° |
| S | C7 | C8 | H2 | 122.1° | 122.8° |
| S | C7 | C8 | N2 | 105.2° | 134.6° |
| S | C7 | C15 | H2 | 125.1° | 122.6° |
| S | C7 | C15 | C10 | 93.6° | 142.3° |
| S | C7 | C15 | C16 | 36.1° | 24.4° |
| S | C7 | C15 | H5 | 153.5° | 99.8° |
| C7 | S | C6 | H1 | 58.3° | 58.2° |
| C8 | C7 | C15 | H2 | 119.5° | 118.6° |
| C7 | C8 | N2 | C10 | 1.2° | 0.1° |
| C8 | C7 | C15 | C10 | 21.7° | 23.6° |
| C8 | C7 | C15 | C16 | 151.4° | 94.3° |
| C8 | C7 | C15 | H5 | 91.1° | 141.5° |
| N2 | C8 | C7 | C15 | 13.8° | 15.9° |
| C8 | N2 | C10 | C11 | 108.1° | 135.1° |
| C8 | N2 | C10 | C15 | 15.7° | 16.3° |
| N2 | C8 | C7 | H2 | 132.8° | 102.7° |
| C8 | N2 | C10 | H3 | 132.9° | 102.8° |
| C | N | C1 | H7 | 180.0° | 180.0° |
| C | N | C1 | H8 | 60.0° | 60.1° |
| C | N | C1 | H6 | 60.0° | 60.0° |
| C | N | C2 | H11 | 0.1° | 90.0° |
| C | N | C2 | H9 | 120.1° | 30.0° |
| C | N | C2 | H10 | 119.9° | 150.1° |
| N | C | C3 | H | 156.0° | 42.3° |
| O | C | N | C2 | 24.1° | 180.0° |
| O | C | C3 | H | 25.5° | 137.8° |
| C12 | C11 | C10 | N2 | 28.8° | 48.1° |
| C12 | C11 | C10 | C13 | 112.0° | 120.0° |
| C12 | C11 | C10 | H18 | 124.4° | 119.9° |
| C12 | C11 | C13 | H18 | 118.2° | 120.0° |
| C12 | C11 | C10 | C15 | 142.6° | 67.5° |
| C12 | C11 | C13 | C14 | 72.2° | 60.0° |
| C12 | C11 | C13 | O4 | 165.6° | 180.0° |
| C12 | C11 | C10 | H3 | 90.8° | 170.3° |
| C12 | C11 | C13 | H4 | 47.0° | 60.0° |
| C2 | N | C1 | H7 | 0.1° | 0.0° |
| C2 | N | C1 | H8 | 120.1° | 120.0° |
| C2 | N | C1 | H6 | 119.9° | 120.0° |
| N | C2 | H11 | H9 | 120.0° | 120.0° |
| N | C2 | H11 | H10 | 120.0° | 120.0° |
| N | C2 | H9 | H10 | 120.0° | 120.0° |
| C7 | C15 | C10 | N2 | 23.7° | 24.0° |
| C7 | C15 | C10 | C11 | 91.5° | 142.9° |
| C7 | C15 | C10 | C16 | 128.3° | 117.9° |
| C7 | C15 | C10 | H5 | 112.9° | 117.9° |
| C7 | C15 | C16 | H5 | 117.3° | 124.3° |
| C7 | C15 | C16 | H25 | 180.0° | 66.4° |
| C7 | C15 | C16 | H24 | 60.0° | 173.6° |
| C7 | C15 | C16 | H26 | 60.0° | 53.6° |
| C7 | C15 | C10 | H3 | 141.9° | 95.1° |
| N2 | C10 | C11 | C15 | 113.8° | 115.6° |
| N2 | C10 | C11 | H3 | 119.6° | 122.2° |
| N2 | C10 | C11 | C13 | 140.8° | 71.9° |
| N2 | C10 | C15 | H3 | 118.2° | 119.1° |
| N2 | C10 | C15 | C16 | 152.0° | 93.9° |
| N2 | C10 | C11 | H18 | 95.6° | 168.0° |
| N2 | C10 | C15 | H5 | 89.2° | 141.9° |
| C10 | C11 | C13 | H18 | 123.4° | 120.0° |
| C11 | C10 | C15 | H3 | 126.7° | 122.0° |
| C10 | C11 | C13 | C14 | 169.4° | 180.0° |
| C11 | C10 | C15 | C16 | 36.8° | 25.0° |
| C10 | C11 | C13 | O4 | 47.3° | 60.0° |
| C11 | C10 | C15 | H5 | 155.6° | 99.3° |
| C10 | C11 | C12 | H19 | 55.7° | 60.1° |
| C10 | C11 | C13 | H4 | 71.4° | 60.0° |
| C13 | C11 | C10 | C15 | 105.4° | 172.4° |
| C11 | C13 | C14 | O4 | 121.9° | 120.0° |
| C11 | C13 | C14 | H4 | 119.1° | 120.0° |
| C11 | C13 | O4 | H4 | 117.9° | 120.0° |
| C13 | C11 | C10 | H3 | 21.2° | 50.3° |
| C13 | C11 | C12 | H19 | 62.3° | 60.0° |
| C11 | C13 | C14 | H20 | 180.0° | 60.0° |
| C11 | C13 | C14 | H22 | 60.0° | 180.0° |
| C11 | C13 | C14 | H21 | 60.0° | 60.0° |
| C11 | C13 | O4 | H23 | 180.0° | 60.0° |
| C10 | C15 | C16 | H5 | 118.6° | 124.3° |
| C10 | C15 | C7 | H2 | 141.2° | 95.1° |
| C15 | C10 | C11 | H18 | 18.3° | 52.4° |
| C10 | C15 | C16 | H25 | 55.9° | 177.8° |
| C10 | C15 | C16 | H24 | 64.1° | 62.2° |
| C10 | C15 | C16 | H26 | 175.9° | 57.8° |
| C14 | C13 | O4 | H4 | 118.4° | 120.0° |
| C14 | C13 | C11 | H18 | 46.0° | 60.0° |
| C13 | C14 | H20 | H22 | 120.0° | 120.0° |
| C13 | C14 | H20 | H21 | 120.0° | 120.0° |
| C13 | C14 | H22 | H21 | 120.0° | 120.0° |
| C14 | C13 | O4 | H23 | 56.3° | 60.0° |
| C16 | C15 | C7 | H2 | 89.1° | 147.0° |
| C15 | C16 | H25 | H24 | 120.0° | 120.0° |
| C15 | C16 | H25 | H26 | 120.0° | 120.0° |
| C15 | C16 | H24 | H26 | 120.0° | 119.9° |
| C16 | C15 | C10 | H3 | 89.9° | 147.0° |
| O4 | C13 | C11 | H18 | 76.1° | 60.0° |
| O4 | C13 | C14 | H20 | 58.2° | 60.0° |
| O4 | C13 | C14 | H22 | 178.2° | 60.0° |
| O4 | C13 | C14 | H21 | 61.9° | 180.0° |
| H7 | C1 | H8 | H6 | 120.0° | 120.0° |
| H11 | C2 | H9 | H10 | 120.0° | 120.0° |
| H | C3 | C5 | H16 | 9.2° | 160.0° |
| H | C3 | C5 | H15 | 111.7° | 36.3° |
| H | C3 | N1 | H12 | 123.9° | 142.9° |
| H13 | C4 | C6 | H1 | 17.6° | 144.4° |
| H13 | C4 | N1 | H12 | 133.0° | 2.0° |
| H14 | C4 | C6 | H1 | 102.7° | 23.1° |
| H14 | C4 | N1 | H12 | 12.7° | 119.3° |
| H16 | C5 | C6 | H1 | 16.9° | 159.1° |
| H15 | C5 | C6 | H1 | 103.9° | 35.3° |
| H2 | C7 | C15 | H5 | 28.4° | 22.8° |
| H18 | C11 | C10 | H3 | 144.8° | 69.7° |
| H18 | C11 | C12 | H19 | 179.7° | 180.0° |
| H18 | C11 | C13 | H4 | 165.2° | 180.0° |
| H5 | C15 | C16 | H25 | 62.7° | 57.9° |
| H5 | C15 | C16 | H24 | 177.3° | 62.2° |
| H5 | C15 | C16 | H26 | 57.3° | 177.9° |
| H5 | C15 | C10 | H3 | 29.0° | 22.8° |
| H25 | C16 | H24 | H26 | 120.0° | 120.0° |
| H4 | C13 | C14 | H20 | 60.8° | 179.9° |
| H4 | C13 | C14 | H22 | 59.2° | 60.0° |
| H4 | C13 | C14 | H21 | 179.1° | 60.0° |
| H4 | C13 | O4 | H23 | 62.1° | 180.0° |
| H20 | C14 | H22 | H21 | 120.0° | 120.0° |
