RH4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | O2 | sing | 1.34Å | 1.37Å | Aromatic |
| C7 | C6 | doub | 1.34Å | 1.38Å | Aromatic |
| O2 | C4 | sing | 1.34Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.44Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | doub | 1.35Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| O | C | doub | 1.21Å | 1.36Å | |
| C2 | C | sing | 1.51Å | 1.56Å | |
| C2 | C8 | sing | 1.51Å | 1.52Å | |
| C | O1 | sing | 1.34Å | 1.42Å | |
| C9 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | N | doub | 1.32Å | 1.36Å | Aromatic |
| O1 | C1 | sing | 1.45Å | 1.45Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| N | C11 | sing | 1.32Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C7 | C6 | 110.8° | 108.4° |
| C7 | O2 | C4 | 106.5° | 109.5° |
| O2 | C7 | H3 | 124.6° | 125.8° |
| C7 | C6 | C5 | 106.1° | 106.9° |
| C7 | C6 | H2 | 127.0° | 126.6° |
| C6 | C7 | H3 | 124.6° | 125.8° |
| O2 | C4 | C3 | 116.4° | 125.8° |
| O2 | C4 | C5 | 110.4° | 108.4° |
| C6 | C5 | C4 | 106.2° | 106.8° |
| C6 | C5 | H1 | 126.9° | 126.6° |
| C5 | C6 | H2 | 127.0° | 126.5° |
| C3 | C4 | C5 | 133.2° | 125.8° |
| C4 | C3 | C2 | 109.6° | 109.5° |
| C4 | C3 | H11 | 109.4° | 109.4° |
| C4 | C3 | H12 | 109.4° | 109.5° |
| C4 | C5 | H1 | 126.9° | 126.6° |
| C3 | C2 | C | 111.9° | 109.5° |
| C3 | C2 | C8 | 112.4° | 109.5° |
| C3 | C2 | H10 | 106.4° | 109.5° |
| C2 | C3 | H11 | 109.4° | 109.5° |
| C2 | C3 | H12 | 109.4° | 109.5° |
| O | C | C2 | 125.6° | 120.0° |
| O | C | O1 | 126.9° | 120.0° |
| C | C2 | C8 | 112.9° | 109.4° |
| C2 | C | O1 | 107.5° | 120.0° |
| C | C2 | H10 | 106.2° | 109.5° |
| C2 | C8 | C9 | 122.2° | 120.8° |
| C2 | C8 | C12 | 118.8° | 120.8° |
| C8 | C2 | H10 | 106.5° | 109.4° |
| C | O1 | C1 | 121.8° | 117.0° |
| C8 | C9 | C10 | 119.3° | 119.2° |
| C9 | C8 | C12 | 119.0° | 118.4° |
| C8 | C9 | H13 | 120.4° | 120.4° |
| C9 | C10 | N | 122.4° | 120.8° |
| C9 | C10 | H4 | 118.8° | 119.6° |
| C10 | C9 | H13 | 120.3° | 120.5° |
| C8 | C12 | C11 | 118.4° | 119.2° |
| C8 | C12 | H9 | 120.8° | 120.4° |
| C10 | N | C11 | 117.6° | 121.7° |
| N | C10 | H4 | 118.8° | 119.7° |
| O1 | C1 | H5 | 109.5° | 109.4° |
| O1 | C1 | H6 | 109.5° | 109.4° |
| O1 | C1 | H7 | 109.5° | 109.5° |
| C12 | C11 | N | 123.4° | 120.8° |
| C12 | C11 | H8 | 118.3° | 119.6° |
| C11 | C12 | H9 | 120.8° | 120.5° |
| N | C11 | H8 | 118.3° | 119.6° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.4° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C7 | C6 | H3 | 180.0° | 179.5° |
| O2 | C7 | C6 | C5 | 0.2° | 0.2° |
| C7 | O2 | C4 | C3 | 179.1° | 179.9° |
| C7 | O2 | C4 | C5 | 0.1° | 0.5° |
| O2 | C7 | C6 | H2 | 179.8° | 179.7° |
| C6 | C7 | O2 | C4 | 0.1° | 0.4° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.3° | 0.0° |
| C7 | C6 | C5 | H1 | 179.7° | 179.9° |
| O2 | C4 | C5 | C6 | 0.2° | 0.3° |
| O2 | C4 | C3 | C5 | 178.9° | 179.6° |
| O2 | C4 | C3 | C2 | 152.4° | 89.6° |
| O2 | C4 | C5 | H1 | 179.8° | 179.7° |
| C4 | O2 | C7 | H3 | 179.9° | 180.0° |
| O2 | C4 | C3 | H11 | 87.6° | 30.4° |
| O2 | C4 | C3 | H12 | 32.4° | 150.3° |
| C6 | C5 | C4 | C3 | 178.7° | 180.0° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C5 | C6 | C7 | H3 | 179.7° | 179.8° |
| C4 | C3 | C2 | H11 | 120.0° | 120.0° |
| C4 | C3 | C2 | H12 | 120.0° | 120.0° |
| C4 | C3 | C2 | C | 163.1° | 65.0° |
| C4 | C3 | C2 | C8 | 68.6° | 175.0° |
| C3 | C4 | C5 | H1 | 1.3° | 0.0° |
| C4 | C3 | C2 | H10 | 47.6° | 55.0° |
| C4 | C3 | H11 | H12 | 120.0° | 120.0° |
| C5 | C4 | C3 | C2 | 26.5° | 90.0° |
| C4 | C5 | C6 | H2 | 179.8° | 180.0° |
| C5 | C4 | C3 | H11 | 93.5° | 150.0° |
| C5 | C4 | C3 | H12 | 146.5° | 30.0° |
| C3 | C2 | C | O | 11.2° | 120.0° |
| C3 | C2 | C | C8 | 128.0° | 120.0° |
| C3 | C2 | C | H10 | 115.6° | 120.1° |
| C3 | C2 | C8 | H10 | 116.1° | 120.0° |
| C3 | C2 | C | O1 | 166.9° | 60.0° |
| C3 | C2 | C8 | C9 | 43.6° | 59.7° |
| C3 | C2 | C8 | C12 | 135.8° | 120.0° |
| C2 | C3 | H11 | H12 | 119.9° | 120.0° |
| O | C | C2 | O1 | 178.1° | 180.0° |
| O | C | C2 | C8 | 116.8° | 0.0° |
| O | C | O1 | C1 | 1.4° | 0.0° |
| O | C | C2 | H10 | 126.8° | 120.0° |
| C | C2 | C8 | H10 | 116.2° | 120.0° |
| C | C2 | C8 | C9 | 84.1° | 60.3° |
| C | C2 | C8 | C12 | 96.5° | 120.0° |
| C2 | C | O1 | C1 | 179.5° | 180.0° |
| C | C2 | C3 | H11 | 43.1° | 55.0° |
| C | C2 | C3 | H12 | 76.9° | 175.0° |
| C8 | C2 | C | O1 | 65.1° | 180.0° |
| C2 | C8 | C9 | C12 | 179.4° | 179.7° |
| C2 | C8 | C9 | C10 | 179.9° | 179.7° |
| C2 | C8 | C12 | C11 | 179.2° | 179.9° |
| C2 | C8 | C12 | H9 | 0.7° | 0.0° |
| C8 | C2 | C3 | H11 | 171.4° | 65.0° |
| C8 | C2 | C3 | H12 | 51.4° | 55.0° |
| C2 | C8 | C9 | H13 | 0.0° | 0.4° |
| C | O1 | C1 | H5 | 180.0° | 180.0° |
| C | O1 | C1 | H6 | 60.0° | 60.1° |
| C | O1 | C1 | H7 | 60.0° | 59.9° |
| O1 | C | C2 | H10 | 51.3° | 60.1° |
| C8 | C9 | C10 | H13 | 180.0° | 179.9° |
| C8 | C9 | C10 | N | 0.7° | 0.1° |
| C9 | C8 | C12 | C11 | 0.2° | 0.3° |
| C8 | C9 | C10 | H4 | 179.3° | 179.7° |
| C9 | C8 | C12 | H9 | 179.8° | 179.7° |
| C9 | C8 | C2 | H10 | 159.7° | 179.7° |
| C10 | C9 | C8 | C12 | 0.5° | 0.1° |
| C9 | C10 | N | H4 | 180.0° | 179.6° |
| C9 | C10 | N | C11 | 0.1° | 0.3° |
| C8 | C12 | C11 | H9 | 180.0° | 179.9° |
| C8 | C12 | C11 | N | 0.9° | 0.4° |
| C8 | C12 | C11 | H8 | 179.1° | 180.0° |
| C12 | C8 | C2 | H10 | 19.7° | 0.0° |
| C12 | C8 | C9 | H13 | 179.5° | 180.0° |
| C10 | N | C11 | C12 | 0.7° | 0.5° |
| C10 | N | C11 | H8 | 179.3° | 179.9° |
| N | C10 | C9 | H13 | 179.3° | 180.0° |
| O1 | C1 | H5 | H6 | 120.0° | 119.9° |
| O1 | C1 | H5 | H7 | 120.0° | 120.0° |
| O1 | C1 | H6 | H7 | 120.0° | 120.0° |
| C12 | C11 | N | H8 | 180.0° | 179.6° |
| C11 | N | C10 | H4 | 179.9° | 179.9° |
| N | C11 | C12 | H9 | 179.2° | 179.5° |
| H1 | C5 | C6 | H2 | 0.2° | 0.0° |
| H2 | C6 | C7 | H3 | 0.2° | 0.2° |
| H4 | C10 | C9 | H13 | 0.7° | 0.4° |
| H5 | C1 | H6 | H7 | 120.0° | 120.1° |
| H8 | C11 | C12 | H9 | 0.8° | 0.1° |
| H10 | C2 | C3 | H11 | 72.4° | 175.0° |
| H10 | C2 | C3 | H12 | 167.6° | 65.0° |
