Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | O1 | doub | 1.46Å | 1.43Å | |
| S | O2 | doub | 1.46Å | 1.52Å | |
| S | O3 | sing | 1.46Å | 1.55Å | |
| HS1 | S | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | S | O2 | 117.0° | 116.7° |
| O1 | S | O3 | 107.5° | 116.7° |
| O1 | S | HS1 | 106.2° | 100.6° |
| O2 | S | O3 | 110.9° | 116.7° |
| O2 | S | HS1 | 102.4° | 100.6° |
| O3 | S | HS1 | 112.8° | 100.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | S | O2 | O3 | 123.8° | 144.5° |
| O1 | S | O2 | HS1 | 115.6° | 107.7° |
| O1 | S | O3 | HS1 | 116.7° | 107.7° |
| O2 | S | O3 | HS1 | 114.3° | 107.8° |
