UH4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C9 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.40Å | 1.41Å | |
| O | C5 | doub | 1.22Å | 1.23Å | |
| N1 | C5 | sing | 1.35Å | 1.36Å | |
| C5 | N | sing | 1.35Å | 1.39Å | |
| N | C4 | sing | 1.40Å | 1.39Å | |
| S | C4 | sing | 1.76Å | 1.73Å | Aromatic |
| S | C1 | sing | 1.76Å | 1.72Å | Aromatic |
| C4 | C3 | doub | 1.34Å | 1.36Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C1 | C2 | doub | 1.33Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N2 | C10 | 117.4° | 121.8° |
| N2 | C9 | C8 | 123.6° | 120.9° |
| N2 | C9 | H11 | 118.2° | 119.6° |
| N2 | C10 | C6 | 123.4° | 120.7° |
| N2 | C10 | H4 | 118.4° | 119.7° |
| C9 | C8 | C7 | 118.4° | 119.3° |
| C9 | C8 | H3 | 120.8° | 120.4° |
| C8 | C9 | H11 | 118.2° | 119.6° |
| C10 | C6 | C7 | 117.9° | 119.0° |
| C10 | C6 | N1 | 120.6° | 120.5° |
| C6 | C10 | H4 | 118.3° | 119.6° |
| C8 | C7 | C6 | 119.3° | 118.4° |
| C8 | C7 | H2 | 120.3° | 120.8° |
| C7 | C8 | H3 | 120.8° | 120.4° |
| C7 | C6 | N1 | 121.1° | 120.5° |
| C6 | C7 | H2 | 120.3° | 120.8° |
| C6 | N1 | C5 | 123.9° | 120.0° |
| C6 | N1 | H1 | 118.1° | 120.0° |
| O | C5 | N1 | 122.9° | 120.0° |
| O | C5 | N | 121.5° | 120.0° |
| N1 | C5 | N | 115.6° | 120.0° |
| C5 | N1 | H1 | 118.1° | 120.0° |
| C5 | N | C4 | 120.2° | 120.0° |
| C5 | N | H5 | 119.9° | 120.0° |
| N | C4 | S | 123.0° | 125.2° |
| N | C4 | C3 | 125.8° | 125.3° |
| C4 | N | H5 | 119.9° | 119.9° |
| C4 | S | C1 | 92.0° | 91.0° |
| S | C4 | C3 | 111.1° | 109.5° |
| S | C1 | C | 120.4° | 125.1° |
| S | C1 | C2 | 110.5° | 109.8° |
| C4 | C3 | C2 | 112.5° | 114.8° |
| C4 | C3 | H6 | 123.8° | 122.6° |
| C | C1 | C2 | 129.0° | 125.1° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.4° | 109.4° |
| C1 | C2 | C3 | 113.9° | 115.0° |
| C1 | C2 | H7 | 123.0° | 122.5° |
| C2 | C3 | H6 | 123.8° | 122.7° |
| C3 | C2 | H7 | 123.0° | 122.5° |
| H8 | C | H9 | 109.5° | 109.5° |
| H8 | C | H10 | 109.5° | 109.4° |
| H9 | C | H10 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C9 | C8 | H11 | 180.0° | 179.2° |
| C9 | N2 | C10 | C6 | 0.4° | 0.6° |
| N2 | C9 | C8 | C7 | 0.6° | 0.5° |
| N2 | C9 | C8 | H3 | 179.4° | 179.5° |
| C9 | N2 | C10 | H4 | 179.6° | 179.5° |
| C10 | N2 | C9 | C8 | 1.3° | 0.8° |
| N2 | C10 | C6 | H4 | 180.0° | 179.9° |
| N2 | C10 | C6 | C7 | 1.1° | 0.0° |
| N2 | C10 | C6 | N1 | 171.9° | 179.7° |
| C10 | N2 | C9 | H11 | 178.7° | 180.0° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 1.0° | 0.0° |
| C9 | C8 | C7 | H2 | 179.0° | 180.0° |
| C10 | C6 | C7 | C8 | 1.8° | 0.2° |
| C10 | C6 | C7 | N1 | 173.0° | 179.7° |
| C10 | C6 | N1 | C5 | 71.7° | 145.3° |
| C10 | C6 | N1 | H1 | 108.3° | 34.9° |
| C10 | C6 | C7 | H2 | 178.2° | 179.8° |
| C8 | C7 | C6 | H2 | 180.0° | 180.0° |
| C8 | C7 | C6 | N1 | 171.2° | 180.0° |
| C7 | C8 | C9 | H11 | 179.4° | 179.7° |
| C7 | C6 | N1 | C5 | 101.1° | 35.0° |
| C7 | C6 | N1 | H1 | 78.9° | 144.8° |
| C6 | C7 | C8 | H3 | 179.0° | 180.0° |
| C7 | C6 | C10 | H4 | 178.9° | 179.9° |
| C6 | N1 | C5 | O | 2.5° | 4.4° |
| C6 | N1 | C5 | H1 | 180.0° | 179.8° |
| C6 | N1 | C5 | N | 176.4° | 175.6° |
| N1 | C6 | C7 | H2 | 8.8° | 0.0° |
| N1 | C6 | C10 | H4 | 8.1° | 0.2° |
| O | C5 | N1 | N | 178.9° | 180.0° |
| O | C5 | N | C4 | 0.2° | 0.0° |
| O | C5 | N1 | H1 | 177.5° | 175.4° |
| O | C5 | N | H5 | 179.8° | 180.0° |
| N1 | C5 | N | C4 | 179.2° | 180.0° |
| N1 | C5 | N | H5 | 0.8° | 0.0° |
| C5 | N | C4 | H5 | 180.0° | 179.9° |
| C5 | N | C4 | S | 11.6° | 0.3° |
| C5 | N | C4 | C3 | 164.8° | 180.0° |
| N | C5 | N1 | H1 | 3.6° | 4.7° |
| N | C4 | S | C3 | 176.9° | 179.7° |
| N | C4 | S | C1 | 175.6° | 180.0° |
| N | C4 | C3 | C2 | 175.8° | 180.0° |
| N | C4 | C3 | H6 | 4.2° | 0.1° |
| C4 | S | C1 | C | 175.9° | 179.9° |
| C4 | S | C1 | C2 | 1.4° | 0.3° |
| S | C4 | C3 | C2 | 1.0° | 0.3° |
| S | C4 | N | H5 | 168.4° | 179.7° |
| S | C4 | C3 | H6 | 179.0° | 179.8° |
| C1 | S | C4 | C3 | 1.4° | 0.3° |
| S | C1 | C | C2 | 176.7° | 179.8° |
| S | C1 | C2 | C3 | 1.1° | 0.2° |
| S | C1 | C2 | H7 | 178.9° | 179.8° |
| S | C1 | C | H8 | 0.0° | 0.1° |
| S | C1 | C | H9 | 120.0° | 119.9° |
| S | C1 | C | H10 | 120.0° | 120.1° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C4 | C3 | C2 | H6 | 180.0° | 180.0° |
| C3 | C4 | N | H5 | 15.1° | 0.1° |
| C4 | C3 | C2 | H7 | 179.9° | 180.0° |
| C | C1 | C2 | C3 | 175.9° | 180.0° |
| C | C1 | C2 | H7 | 4.1° | 0.0° |
| C1 | C | H8 | H9 | 120.0° | 120.1° |
| C1 | C | H8 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C2 | C3 | H7 | 180.0° | 180.0° |
| C1 | C2 | C3 | H6 | 179.9° | 180.0° |
| C2 | C1 | C | H8 | 176.7° | 179.7° |
| C2 | C1 | C | H9 | 63.3° | 60.3° |
| C2 | C1 | C | H10 | 56.7° | 59.7° |
| H2 | C7 | C8 | H3 | 1.0° | 0.0° |
| H3 | C8 | C9 | H11 | 0.6° | 0.3° |
| H6 | C3 | C2 | H7 | 0.1° | 0.0° |
| H8 | C | H9 | H10 | 120.0° | 120.0° |
