N2F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | N | doub | 1.22Å | 1.27Å | |
| C3 | C2 | doub | 1.34Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| N | C2 | sing | 1.48Å | 1.40Å | |
| N | O3 | sing | 1.22Å | 1.22Å | |
| C2 | O1 | sing | 1.34Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.35Å | 1.39Å | Aromatic |
| O1 | C5 | sing | 1.34Å | 1.35Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | S1 | sing | 1.76Å | 48.44Å | |
| S1 | O4 | doub | 1.42Å | 0.00Å | |
| S1 | O5 | doub | 1.42Å | 0.00Å | |
| S1 | C1 | sing | 1.76Å | 0.00Å | |
| C1 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 0.00Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 0.00Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 0.00Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 0.00Å | Aromatic |
| C10 | C1 | doub | 1.38Å | 0.00Å | Aromatic |
| C8 | C11 | sing | 1.51Å | 0.00Å | |
| C6 | H5 | sing | 1.08Å | 0.00Å | |
| C7 | H6 | sing | 1.08Å | 0.00Å | |
| C9 | H7 | sing | 1.08Å | 0.00Å | |
| C10 | H8 | sing | 1.08Å | 0.00Å | |
| C11 | H9 | sing | 1.09Å | 0.00Å | |
| C11 | H10 | sing | 1.09Å | 0.00Å | |
| C11 | H11 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | N | C2 | 117.9° | 120.0° |
| O2 | N | O3 | 122.9° | 120.0° |
| C2 | C3 | C4 | 106.4° | 106.9° |
| C3 | C2 | N | 127.2° | 125.8° |
| C3 | C2 | O1 | 110.1° | 108.4° |
| C2 | C3 | H3 | 126.8° | 126.6° |
| C3 | C4 | C5 | 106.8° | 106.8° |
| C4 | C3 | H3 | 126.8° | 126.5° |
| C3 | C4 | H4 | 126.6° | 126.6° |
| C2 | N | O3 | 119.2° | 120.0° |
| N | C2 | O1 | 122.7° | 125.8° |
| C2 | O1 | C5 | 108.2° | 109.5° |
| C4 | C5 | O1 | 108.5° | 108.4° |
| C5 | C4 | H4 | 126.6° | 126.6° |
| C4 | C5 | S1 | 51.0° | 125.8° |
| O1 | C5 | S1 | 143.6° | 125.8° |
| C5 | S1 | O4 | 90.0° | 106.4° |
| C5 | S1 | O5 | 90.0° | 106.4° |
| C5 | S1 | C1 | 90.0° | 107.2° |
| O4 | S1 | O5 | 90.0° | 123.1° |
| O4 | S1 | C1 | 90.0° | 106.4° |
| O5 | S1 | C1 | 90.0° | 106.4° |
| S1 | C1 | C6 | 90.0° | 120.0° |
| S1 | C1 | C10 | 90.0° | 120.0° |
| C1 | C6 | C7 | 90.0° | 120.0° |
| C6 | C1 | C10 | 90.0° | 120.0° |
| C1 | C6 | H5 | 90.0° | 120.0° |
| C6 | C7 | C8 | 90.0° | 120.0° |
| C7 | C6 | H5 | 90.0° | 120.0° |
| C6 | C7 | H6 | 90.0° | 120.0° |
| C7 | C8 | C9 | 90.0° | 120.0° |
| C7 | C8 | C11 | 90.0° | 120.0° |
| C8 | C7 | H6 | 90.0° | 120.0° |
| C8 | C9 | C10 | 90.0° | 120.0° |
| C9 | C8 | C11 | 90.0° | 119.9° |
| C8 | C9 | H7 | 90.0° | 120.1° |
| C9 | C10 | C1 | 90.0° | 120.0° |
| C10 | C9 | H7 | 90.0° | 120.0° |
| C9 | C10 | H8 | 90.0° | 120.0° |
| C1 | C10 | H8 | 90.0° | 120.0° |
| C8 | C11 | H9 | 90.0° | 109.5° |
| C8 | C11 | H10 | 90.0° | 109.5° |
| C8 | C11 | H11 | 90.0° | 109.4° |
| H9 | C11 | H10 | 90.0° | 109.5° |
| H9 | C11 | H11 | 90.0° | 109.5° |
| H10 | C11 | H11 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | N | C2 | C3 | 0.9° | 0.0° |
| O2 | N | C2 | O3 | 179.6° | 179.9° |
| O2 | N | C2 | O1 | 178.6° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C3 | C2 | N | O1 | 179.5° | 179.9° |
| C3 | C2 | N | O3 | 179.6° | 179.9° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C3 | C2 | O1 | C5 | 0.2° | 0.1° |
| C2 | C3 | C4 | H4 | 179.5° | 180.0° |
| C4 | C3 | C2 | N | 179.7° | 180.0° |
| C4 | C3 | C2 | O1 | 0.2° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | O1 | 0.7° | 0.1° |
| C3 | C4 | C5 | S1 | 144.6° | 180.0° |
| N | C2 | O1 | C5 | 179.3° | 180.0° |
| N | C2 | C3 | H3 | 0.3° | 0.1° |
| O3 | N | C2 | O1 | 0.9° | 0.0° |
| C2 | O1 | C5 | C4 | 0.6° | 0.1° |
| O1 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | O1 | C5 | S1 | 47.8° | 180.0° |
| C4 | C5 | O1 | S1 | 48.3° | 179.9° |
| C5 | C4 | C3 | H3 | 179.5° | 180.0° |
| C4 | C5 | S1 | O4 | 90.0° | 156.4° |
| C4 | C5 | S1 | O5 | 90.0° | 23.5° |
| C4 | C5 | S1 | C1 | 90.0° | 90.1° |
| O1 | C5 | C4 | H4 | 179.3° | 179.9° |
| O1 | C5 | S1 | O4 | 90.0° | 23.5° |
| O1 | C5 | S1 | O5 | 90.0° | 156.4° |
| O1 | C5 | S1 | C1 | 90.0° | 90.0° |
| H3 | C3 | C4 | H4 | 0.5° | 0.0° |
| H4 | C4 | C5 | S1 | 35.5° | 0.0° |
| C5 | S1 | O4 | O5 | 90.0° | 122.9° |
| C5 | S1 | O4 | C1 | 90.0° | 114.1° |
| C5 | S1 | O5 | C1 | 90.0° | 114.1° |
| C5 | S1 | C1 | C6 | 90.0° | 90.0° |
| C5 | S1 | C1 | C10 | 90.0° | 90.2° |
| O4 | S1 | O5 | C1 | 90.0° | 123.0° |
| O4 | S1 | C1 | C6 | 90.0° | 23.5° |
| O4 | S1 | C1 | C10 | 90.0° | 156.2° |
| O5 | S1 | C1 | C6 | 90.0° | 156.4° |
| O5 | S1 | C1 | C10 | 90.0° | 23.3° |
| S1 | C1 | C6 | C10 | 90.0° | 179.8° |
| S1 | C1 | C6 | C7 | 90.0° | 180.0° |
| S1 | C1 | C10 | C9 | 90.0° | 179.8° |
| S1 | C1 | C6 | H5 | 90.0° | 0.0° |
| S1 | C1 | C10 | H8 | 90.0° | 0.1° |
| C1 | C6 | C7 | H5 | 90.0° | 180.0° |
| C1 | C6 | C7 | C8 | 90.0° | 0.1° |
| C6 | C1 | C10 | C9 | 90.0° | 0.4° |
| C1 | C6 | C7 | H6 | 90.0° | 180.0° |
| C6 | C1 | C10 | H8 | 90.0° | 179.9° |
| C6 | C7 | C8 | H6 | 90.0° | 180.0° |
| C6 | C7 | C8 | C9 | 90.0° | 0.0° |
| C7 | C6 | C1 | C10 | 90.0° | 0.3° |
| C6 | C7 | C8 | C11 | 90.0° | 180.0° |
| C7 | C8 | C9 | C11 | 90.0° | 180.0° |
| C7 | C8 | C9 | C10 | 90.0° | 0.2° |
| C8 | C7 | C6 | H5 | 90.0° | 180.0° |
| C7 | C8 | C9 | H7 | 90.0° | 180.0° |
| C7 | C8 | C11 | H9 | 90.0° | 90.0° |
| C7 | C8 | C11 | H10 | 90.0° | 150.0° |
| C7 | C8 | C11 | H11 | 90.0° | 30.0° |
| C8 | C9 | C10 | H7 | 90.0° | 179.9° |
| C8 | C9 | C10 | C1 | 90.0° | 0.4° |
| C9 | C8 | C7 | H6 | 90.0° | 180.0° |
| C8 | C9 | C10 | H8 | 90.0° | 180.0° |
| C9 | C8 | C11 | H9 | 90.0° | 90.0° |
| C9 | C8 | C11 | H10 | 90.0° | 30.0° |
| C9 | C8 | C11 | H11 | 90.0° | 150.0° |
| C9 | C10 | C1 | H8 | 90.0° | 179.7° |
| C10 | C9 | C8 | C11 | 90.0° | 179.9° |
| C10 | C1 | C6 | H5 | 90.0° | 179.8° |
| C1 | C10 | C9 | H7 | 90.0° | 179.8° |
| C11 | C8 | C7 | H6 | 90.0° | 0.0° |
| C11 | C8 | C9 | H7 | 90.0° | 0.0° |
| C8 | C11 | H9 | H10 | 90.0° | 120.1° |
| C8 | C11 | H9 | H11 | 90.0° | 120.0° |
| C8 | C11 | H10 | H11 | 90.0° | 120.0° |
| H5 | C6 | C7 | H6 | 90.0° | 0.0° |
| H7 | C9 | C10 | H8 | 90.0° | 0.1° |
| H9 | C11 | H10 | H11 | 90.0° | 120.0° |
