HNH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | C7 | sing | 1.48Å | 1.49Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | O6 | sing | 1.36Å | 1.35Å | |
| C7 | C8 | doub | 1.33Å | 1.32Å | |
| C7 | N11 | sing | 1.39Å | 1.31Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.54Å | 1.52Å | |
| C10 | N11 | sing | 1.47Å | 1.45Å | |
| N11 | C12 | sing | 1.47Å | 1.45Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| O6 | H81 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H121 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 121.2° | 121.8° |
| N1 | C2 | C3 | 120.5° | 120.6° |
| N1 | C2 | H2 | 119.7° | 119.7° |
| N1 | C6 | C5 | 120.4° | 120.9° |
| N1 | C6 | O6 | 119.3° | 119.5° |
| C3 | C2 | H2 | 119.7° | 119.7° |
| C2 | C3 | C4 | 119.7° | 119.1° |
| C2 | C3 | C7 | 119.7° | 120.5° |
| C4 | C3 | C7 | 120.6° | 120.5° |
| C3 | C4 | C5 | 118.8° | 118.3° |
| C3 | C4 | H4 | 120.6° | 120.8° |
| C3 | C7 | C8 | 125.5° | 123.3° |
| C3 | C7 | N11 | 125.4° | 123.2° |
| C5 | C4 | H4 | 120.6° | 120.9° |
| C4 | C5 | C6 | 119.3° | 119.3° |
| C4 | C5 | H5 | 120.3° | 120.4° |
| C6 | C5 | H5 | 120.4° | 120.3° |
| C5 | C6 | O6 | 120.3° | 119.6° |
| C6 | O6 | H81 | 109.5° | 114.1° |
| C8 | C7 | N11 | 109.2° | 113.5° |
| C7 | C8 | C9 | 110.0° | 109.0° |
| C7 | C8 | H8 | 125.0° | 125.5° |
| C7 | N11 | C10 | 116.4° | 109.3° |
| C7 | N11 | C12 | 125.4° | 125.3° |
| C9 | C8 | H8 | 125.0° | 125.5° |
| C8 | C9 | C10 | 104.3° | 104.1° |
| C8 | C9 | H9 | 111.2° | 110.5° |
| C8 | C9 | H101 | 111.2° | 110.5° |
| C9 | C10 | N11 | 100.1° | 104.2° |
| C10 | C9 | H9 | 111.2° | 110.5° |
| C10 | C9 | H101 | 111.3° | 110.5° |
| C9 | C10 | H10 | 112.7° | 110.5° |
| C9 | C10 | H121 | 112.7° | 110.5° |
| C10 | N11 | C12 | 118.3° | 125.4° |
| N11 | C10 | H10 | 112.7° | 110.7° |
| N11 | C10 | H121 | 112.7° | 110.2° |
| N11 | C12 | H12 | 109.5° | 109.5° |
| N11 | C12 | H12A | 109.5° | 109.4° |
| N11 | C12 | H12B | 109.5° | 109.4° |
| H12 | C12 | H12A | 109.4° | 109.5° |
| H12 | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| H9 | C9 | H101 | 107.6° | 110.5° |
| H10 | C10 | H121 | 106.1° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | H2 | 180.0° | 179.9° |
| N1 | C2 | C3 | C4 | 0.4° | 0.1° |
| N1 | C2 | C3 | C7 | 179.9° | 180.0° |
| C2 | N1 | C6 | C5 | 0.6° | 0.0° |
| C2 | N1 | C6 | O6 | 179.7° | 179.9° |
| C6 | N1 | C2 | C3 | 0.6° | 0.1° |
| C6 | N1 | C2 | H2 | 179.4° | 179.9° |
| N1 | C6 | C5 | C4 | 0.4° | 0.0° |
| N1 | C6 | C5 | O6 | 179.7° | 180.0° |
| N1 | C6 | C5 | H5 | 179.6° | 180.0° |
| N1 | C6 | O6 | H81 | 0.0° | 90.0° |
| C2 | C3 | C4 | C7 | 179.7° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| C2 | C3 | C7 | C8 | 113.5° | 46.8° |
| C2 | C3 | C7 | N11 | 66.5° | 132.9° |
| H2 | C2 | C3 | C4 | 179.6° | 180.0° |
| H2 | C2 | C3 | C7 | 0.1° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C4 | C3 | C7 | C8 | 66.9° | 133.1° |
| C4 | C3 | C7 | N11 | 113.2° | 47.2° |
| C7 | C3 | C4 | C5 | 179.9° | 180.0° |
| C7 | C3 | C4 | H4 | 0.1° | 0.1° |
| C3 | C7 | C8 | N11 | 180.0° | 179.7° |
| C3 | C7 | C8 | C9 | 179.9° | 180.0° |
| C3 | C7 | C8 | H8 | 0.1° | 0.0° |
| C3 | C7 | N11 | C10 | 179.8° | 179.8° |
| C3 | C7 | N11 | C12 | 0.3° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | O6 | 179.9° | 179.9° |
| H4 | C4 | C5 | C6 | 179.8° | 180.0° |
| H4 | C4 | C5 | H5 | 0.2° | 0.1° |
| C5 | C6 | O6 | H81 | 179.7° | 90.0° |
| H5 | C5 | C6 | O6 | 0.1° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.0° |
| C8 | C7 | N11 | C10 | 0.2° | 0.4° |
| C8 | C7 | N11 | C12 | 179.8° | 179.8° |
| C7 | C8 | C9 | H9 | 120.0° | 118.7° |
| C7 | C8 | C9 | H101 | 120.1° | 118.7° |
| N11 | C7 | C8 | C9 | 0.1° | 0.3° |
| N11 | C7 | C8 | H8 | 180.0° | 179.7° |
| C7 | N11 | C10 | C9 | 0.2° | 0.4° |
| C7 | N11 | C10 | C12 | 179.9° | 179.8° |
| C7 | N11 | C12 | H12 | 180.0° | 84.8° |
| C7 | N11 | C12 | H12A | 60.0° | 155.2° |
| C7 | N11 | C12 | H12B | 60.0° | 35.2° |
| C7 | N11 | C10 | H10 | 120.1° | 118.4° |
| C7 | N11 | C10 | H121 | 119.8° | 119.0° |
| C8 | C9 | C10 | H9 | 120.0° | 118.7° |
| C8 | C9 | C10 | H101 | 120.0° | 118.6° |
| C8 | C9 | C10 | N11 | 0.1° | 0.2° |
| C8 | C9 | H9 | H101 | 122.1° | 122.6° |
| C8 | C9 | C10 | H10 | 120.1° | 118.7° |
| C8 | C9 | C10 | H121 | 119.9° | 118.6° |
| H8 | C8 | C9 | C10 | 179.9° | 180.0° |
| H8 | C8 | C9 | H9 | 60.0° | 61.3° |
| H8 | C8 | C9 | H101 | 59.9° | 61.3° |
| C9 | C10 | N11 | H10 | 120.0° | 118.8° |
| C9 | C10 | N11 | H121 | 120.0° | 118.6° |
| C9 | C10 | N11 | C12 | 179.8° | 179.8° |
| C10 | C9 | H9 | H101 | 122.1° | 122.6° |
| C9 | C10 | H10 | H121 | 123.8° | 122.7° |
| C10 | N11 | C12 | H12 | 0.1° | 94.9° |
| C10 | N11 | C12 | H12A | 120.1° | 25.1° |
| C10 | N11 | C12 | H12B | 119.9° | 145.0° |
| N11 | C10 | C9 | H9 | 119.9° | 118.9° |
| N11 | C10 | C9 | H101 | 120.1° | 118.4° |
| N11 | C10 | H10 | H121 | 123.8° | 122.5° |
| N11 | C12 | H12 | H12A | 120.0° | 120.0° |
| N11 | C12 | H12 | H12B | 120.0° | 120.0° |
| N11 | C12 | H12A | H12B | 120.0° | 119.9° |
| C12 | N11 | C10 | H10 | 59.8° | 61.4° |
| C12 | N11 | C10 | H121 | 60.3° | 61.2° |
| H12 | C12 | H12A | H12B | 120.0° | 120.1° |
| H9 | C9 | C10 | H10 | 0.1° | 0.0° |
| H9 | C9 | C10 | H121 | 120.1° | 122.7° |
| H101 | C9 | C10 | H10 | 119.9° | 122.6° |
| H101 | C9 | C10 | H121 | 0.1° | 0.0° |
