2HA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.39Å | |
| O1 | HO1 | sing | 0.97Å | 0.96Å | |
| O2 | C2 | doub | 1.21Å | 1.22Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| O3 | HO3 | sing | 0.97Å | 0.99Å | |
| C1 | C2 | sing | 1.51Å | 1.33Å | |
| C1 | H11 | sing | 1.09Å | 1.06Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO1 | 120.0° | 106.9° |
| O1 | C1 | C2 | 120.3° | 109.5° |
| O1 | C1 | H11 | 119.9° | 109.5° |
| O1 | C1 | H12 | 108.4° | 109.5° |
| O2 | C2 | C1 | 124.0° | 120.0° |
| O2 | C2 | C3 | 120.1° | 120.0° |
| C3 | O3 | HO3 | 109.5° | 106.9° |
| O3 | C3 | C2 | 109.5° | 109.5° |
| O3 | C3 | H31 | 109.5° | 109.5° |
| O3 | C3 | H32 | 109.5° | 109.5° |
| C2 | C1 | H11 | 119.8° | 109.4° |
| C2 | C1 | H12 | 108.3° | 109.4° |
| C1 | C2 | C3 | 115.9° | 120.0° |
| H11 | C1 | H12 | 50.8° | 109.4° |
| C2 | C3 | H31 | 109.4° | 109.4° |
| C2 | C3 | H32 | 109.4° | 109.4° |
| H31 | C3 | H32 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O2 | 0.4° | 0.0° |
| O1 | C1 | C2 | H11 | 180.0° | 120.0° |
| O1 | C1 | C2 | H12 | 125.3° | 120.0° |
| O1 | C1 | H11 | H12 | 90.0° | 120.0° |
| O1 | C1 | C2 | C3 | 179.6° | 180.0° |
| HO1 | O1 | C1 | C2 | 0.0° | 180.0° |
| HO1 | O1 | C1 | H11 | 180.0° | 60.0° |
| HO1 | O1 | C1 | H12 | 125.3° | 60.0° |
| O2 | C2 | C3 | O3 | 114.9° | 0.0° |
| O2 | C2 | C1 | C3 | 180.0° | 180.0° |
| O2 | C2 | C1 | H11 | 179.6° | 120.0° |
| O2 | C2 | C1 | H12 | 125.7° | 120.0° |
| O2 | C2 | C3 | H31 | 125.1° | 120.0° |
| O2 | C2 | C3 | H32 | 5.1° | 120.0° |
| O3 | C3 | C2 | C1 | 65.0° | 180.0° |
| O3 | C3 | C2 | H31 | 120.0° | 120.0° |
| O3 | C3 | C2 | H32 | 120.0° | 120.0° |
| O3 | C3 | H31 | H32 | 120.0° | 120.0° |
| HO3 | O3 | C3 | C2 | 110.5° | 180.0° |
| HO3 | O3 | C3 | H31 | 129.5° | 60.0° |
| HO3 | O3 | C3 | H32 | 9.5° | 60.0° |
| C2 | C1 | H11 | H12 | 90.0° | 119.9° |
| C1 | C2 | C3 | H31 | 55.0° | 60.0° |
| C1 | C2 | C3 | H32 | 175.0° | 60.0° |
| H11 | C1 | C2 | C3 | 0.4° | 60.0° |
| H12 | C1 | C2 | C3 | 54.3° | 60.0° |
| C2 | C3 | H31 | H32 | 120.0° | 119.9° |
