MOS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| MO | S | sing | 2.40Å | 1.66Å | |
| MO | O1 | doub | 1.74Å | 2.09Å | |
| MO | O2 | doub | 1.74Å | 2.12Å | |
| S | H1 | sing | 1.34Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S | MO | O1 | 94.9° | 109.5° |
| S | MO | O2 | 104.0° | 109.5° |
| MO | S | H1 | 95.0° | 100.1° |
| O1 | MO | O2 | 88.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | MO | O1 | O2 | 104.0° | 120.1° |
| O1 | MO | S | H1 | 180.0° | 180.0° |
| O2 | MO | S | H1 | 90.4° | 59.9° |
