H3M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.51Å | 1.49Å | |
| C3 | C4 | doub | 1.33Å | 1.35Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C4 | C1 | sing | 1.47Å | 1.46Å | |
| C2 | O3 | sing | 1.43Å | 1.42Å | |
| C2 | O2 | sing | 1.45Å | 1.42Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C1 | O2 | sing | 1.35Å | 1.47Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 128.8° | 125.3° |
| C5 | C4 | C1 | 122.6° | 125.2° |
| C4 | C5 | H2 | 109.5° | 109.5° |
| C4 | C5 | H3 | 109.4° | 109.5° |
| C4 | C5 | H4 | 109.5° | 109.5° |
| C4 | C3 | C2 | 99.2° | 106.9° |
| C3 | C4 | C1 | 108.5° | 109.5° |
| C4 | C3 | H5 | 130.4° | 126.5° |
| C3 | C2 | O3 | 121.8° | 110.1° |
| C3 | C2 | O2 | 106.8° | 106.0° |
| C2 | C3 | H5 | 130.4° | 126.6° |
| C3 | C2 | H7 | 103.8° | 110.1° |
| C4 | C1 | O1 | 126.9° | 125.0° |
| C4 | C1 | O2 | 107.7° | 109.9° |
| O3 | C2 | O2 | 113.3° | 110.4° |
| O3 | C2 | H7 | 104.8° | 110.1° |
| C2 | O3 | H8 | 109.5° | 114.0° |
| C2 | O2 | C1 | 100.4° | 107.6° |
| O2 | C2 | H7 | 104.8° | 110.1° |
| O1 | C1 | O2 | 125.3° | 125.1° |
| H2 | C5 | H3 | 109.5° | 109.4° |
| H2 | C5 | H4 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | C1 | 176.1° | 180.0° |
| C5 | C4 | C3 | C2 | 142.6° | 180.0° |
| C5 | C4 | C1 | O1 | 16.0° | 0.0° |
| C5 | C4 | C1 | O2 | 161.3° | 179.7° |
| C4 | C5 | H2 | H3 | 120.0° | 120.0° |
| C4 | C5 | H2 | H4 | 120.0° | 120.0° |
| C4 | C5 | H3 | H4 | 120.0° | 120.0° |
| C5 | C4 | C3 | H5 | 37.4° | 0.0° |
| C4 | C3 | C2 | H5 | 180.0° | 180.0° |
| C4 | C3 | C2 | O3 | 175.3° | 119.2° |
| C4 | C3 | C2 | O2 | 43.1° | 0.2° |
| C3 | C4 | C1 | O1 | 167.6° | 180.0° |
| C3 | C4 | C1 | O2 | 15.1° | 0.3° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | H3 | 60.0° | 60.0° |
| C3 | C4 | C5 | H4 | 60.0° | 60.0° |
| C4 | C3 | C2 | H7 | 67.3° | 119.2° |
| C2 | C3 | C4 | C1 | 33.5° | 0.0° |
| C3 | C2 | O3 | O2 | 129.5° | 116.7° |
| C3 | C2 | O3 | H7 | 116.9° | 121.6° |
| C3 | C2 | O2 | H7 | 109.7° | 119.1° |
| C3 | C2 | O2 | C1 | 33.2° | 0.4° |
| C3 | C2 | O3 | H8 | 180.0° | 180.0° |
| C4 | C1 | O2 | C2 | 12.5° | 0.4° |
| C4 | C1 | O1 | O2 | 176.9° | 179.7° |
| C1 | C4 | C5 | H2 | 4.4° | 0.0° |
| C1 | C4 | C5 | H3 | 115.6° | 120.0° |
| C1 | C4 | C5 | H4 | 124.4° | 120.0° |
| C1 | C4 | C3 | H5 | 146.5° | 180.0° |
| O3 | C2 | O2 | H7 | 113.6° | 121.7° |
| O3 | C2 | O2 | C1 | 169.9° | 118.9° |
| O3 | C2 | C3 | H5 | 4.7° | 60.8° |
| C2 | O2 | C1 | O1 | 164.9° | 179.9° |
| O2 | C2 | C3 | H5 | 136.9° | 179.8° |
| O2 | C2 | O3 | H8 | 50.5° | 63.3° |
| C1 | O2 | C2 | H7 | 76.5° | 119.4° |
| H2 | C5 | H3 | H4 | 120.0° | 120.0° |
| H5 | C3 | C2 | H7 | 112.7° | 60.8° |
| H7 | C2 | O3 | H8 | 63.1° | 58.4° |
