Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 111.4° | 109.5° |
| O1 | C1 | H11 | 111.5° | 109.4° |
| O1 | C1 | H12 | 111.5° | 109.5° |
| C1 | O1 | HO1 | 111.5° | 106.9° |
| C2 | C1 | H11 | 111.5° | 109.5° |
| C2 | C1 | H12 | 111.5° | 109.5° |
| C1 | C2 | O2 | 112.2° | 109.5° |
| C1 | C2 | H21 | 111.2° | 109.5° |
| C1 | C2 | H22 | 111.2° | 109.5° |
| H11 | C1 | H12 | 98.9° | 109.4° |
| O2 | C2 | H21 | 111.2° | 109.5° |
| O2 | C2 | H22 | 111.3° | 109.4° |
| C2 | O2 | HO2 | 112.1° | 106.9° |
| H21 | C2 | H22 | 99.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H11 | 125.2° | 120.0° |
| O1 | C1 | C2 | H12 | 125.3° | 120.1° |
| O1 | C1 | H11 | H12 | 117.3° | 119.9° |
| O1 | C1 | C2 | O2 | 172.7° | 60.0° |
| O1 | C1 | C2 | H21 | 47.4° | 180.0° |
| O1 | C1 | C2 | H22 | 62.0° | 60.0° |
| C2 | C1 | H11 | H12 | 117.4° | 120.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | O2 | H21 | 125.2° | 120.1° |
| C1 | C2 | O2 | H22 | 125.2° | 120.0° |
| C1 | C2 | H21 | H22 | 117.0° | 120.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 180.0° |
| H11 | C1 | O1 | HO1 | 54.7° | 60.0° |
| H11 | C1 | C2 | O2 | 62.1° | 60.0° |
| H11 | C1 | C2 | H21 | 172.7° | 60.1° |
| H11 | C1 | C2 | H22 | 63.2° | 180.0° |
| H12 | C1 | O1 | HO1 | 54.7° | 59.9° |
| H12 | C1 | C2 | O2 | 47.4° | 180.0° |
| H12 | C1 | C2 | H21 | 77.8° | 59.9° |
| H12 | C1 | C2 | H22 | 172.7° | 60.1° |
| O2 | C2 | H21 | H22 | 117.2° | 119.9° |
| H21 | C2 | O2 | HO2 | 54.8° | 59.9° |
| H22 | C2 | O2 | HO2 | 54.7° | 60.0° |






