EEE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.43Å | |
| C1 | O1 | doub | 1.21Å | 1.20Å | |
| C1 | O2 | sing | 1.34Å | 1.31Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| O2 | C3 | sing | 1.45Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.37Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 127.0° | 120.0° |
| C2 | C1 | O2 | 111.5° | 120.0° |
| C1 | C2 | H21 | 109.5° | 109.5° |
| C1 | C2 | H22 | 109.5° | 109.5° |
| C1 | C2 | H23 | 109.5° | 109.4° |
| O1 | C1 | O2 | 121.0° | 120.0° |
| C1 | O2 | C3 | 117.1° | 117.0° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| H21 | C2 | H23 | 109.4° | 109.4° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| O2 | C3 | C4 | 114.2° | 109.5° |
| O2 | C3 | H31 | 107.9° | 109.4° |
| O2 | C3 | H32 | 107.9° | 109.5° |
| C4 | C3 | H31 | 107.9° | 109.5° |
| C4 | C3 | H32 | 107.9° | 109.5° |
| C3 | C4 | H41 | 109.5° | 109.4° |
| C3 | C4 | H42 | 109.5° | 109.5° |
| C3 | C4 | H43 | 109.4° | 109.5° |
| H31 | C3 | H32 | 111.0° | 109.5° |
| H41 | C4 | H42 | 109.5° | 109.5° |
| H41 | C4 | H43 | 109.5° | 109.5° |
| H42 | C4 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 171.0° | 179.8° |
| C1 | C2 | H21 | H22 | 120.0° | 120.1° |
| C1 | C2 | H21 | H23 | 120.0° | 119.9° |
| C1 | C2 | H22 | H23 | 120.0° | 120.0° |
| C2 | C1 | O2 | C3 | 171.1° | 180.0° |
| O1 | C1 | C2 | H21 | 0.0° | 0.1° |
| O1 | C1 | C2 | H22 | 120.0° | 120.0° |
| O1 | C1 | C2 | H23 | 120.0° | 120.0° |
| O1 | C1 | O2 | C3 | 1.2° | 0.2° |
| O2 | C1 | C2 | H21 | 171.8° | 179.7° |
| O2 | C1 | C2 | H22 | 51.8° | 60.2° |
| O2 | C1 | C2 | H23 | 68.3° | 59.8° |
| C1 | O2 | C3 | C4 | 96.1° | 180.0° |
| C1 | O2 | C3 | H31 | 143.9° | 60.1° |
| C1 | O2 | C3 | H32 | 23.9° | 59.9° |
| H21 | C2 | H22 | H23 | 120.0° | 119.9° |
| O2 | C3 | C4 | H31 | 120.0° | 119.9° |
| O2 | C3 | C4 | H32 | 120.0° | 120.0° |
| O2 | C3 | H31 | H32 | 118.1° | 120.0° |
| O2 | C3 | C4 | H41 | 180.0° | 180.0° |
| O2 | C3 | C4 | H42 | 60.0° | 60.1° |
| O2 | C3 | C4 | H43 | 60.0° | 60.0° |
| C4 | C3 | H31 | H32 | 118.0° | 120.1° |
| C3 | C4 | H41 | H42 | 120.0° | 120.0° |
| C3 | C4 | H41 | H43 | 120.0° | 120.0° |
| C3 | C4 | H42 | H43 | 120.0° | 120.0° |
| H31 | C3 | C4 | H41 | 60.0° | 60.1° |
| H31 | C3 | C4 | H42 | 180.0° | 180.0° |
| H31 | C3 | C4 | H43 | 60.0° | 59.9° |
| H32 | C3 | C4 | H41 | 60.0° | 60.0° |
| H32 | C3 | C4 | H42 | 60.0° | 60.0° |
| H32 | C3 | C4 | H43 | 180.0° | 180.0° |
| H41 | C4 | H42 | H43 | 120.0° | 120.0° |
