Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.21Å | 1.23Å | |
| C2 | C3 | sing | 1.49Å | 1.41Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C3 | O3 | doub | 1.21Å | 1.24Å | |
| C3 | H33 | sing | 1.08Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C1 | H13 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C3 | 117.8° | 120.0° |
| O2 | C2 | C1 | 114.8° | 120.0° |
| C3 | C2 | C1 | 127.4° | 120.0° |
| C2 | C3 | O3 | 123.1° | 120.0° |
| C2 | C3 | H33 | 124.9° | 120.0° |
| C2 | C1 | H11 | 114.8° | 109.5° |
| C2 | C1 | H12 | 110.3° | 109.5° |
| C2 | C1 | H13 | 110.3° | 109.5° |
| O3 | C3 | H33 | 112.0° | 120.0° |
| H11 | C1 | H12 | 110.2° | 109.5° |
| H11 | C1 | H13 | 110.2° | 109.5° |
| H12 | C1 | H13 | 100.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C3 | C1 | 178.6° | 180.0° |
| O2 | C2 | C3 | O3 | 1.0° | 0.0° |
| O2 | C2 | C3 | H33 | 179.0° | 180.0° |
| O2 | C2 | C1 | H11 | 180.0° | 90.0° |
| O2 | C2 | C1 | H12 | 54.8° | 150.0° |
| O2 | C2 | C1 | H13 | 54.7° | 30.0° |
| C2 | C3 | O3 | H33 | 180.0° | 180.0° |
| C3 | C2 | C1 | H11 | 1.4° | 90.0° |
| C3 | C2 | C1 | H12 | 126.6° | 30.0° |
| C3 | C2 | C1 | H13 | 123.9° | 150.0° |
| C1 | C2 | C3 | O3 | 177.6° | 180.0° |
| C1 | C2 | C3 | H33 | 2.4° | 0.0° |
| C2 | C1 | H11 | H12 | 125.3° | 120.0° |
| C2 | C1 | H11 | H13 | 125.3° | 120.0° |
| C2 | C1 | H12 | H13 | 116.1° | 120.0° |
| H11 | C1 | H12 | H13 | 116.1° | 119.9° |
