Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | O2 | doub | 1.00Å | 1.19Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
