MEE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | S | sing | 1.80Å | 1.79Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| S | HS | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S | C | H1 | 109.5° | 109.9° |
| S | C | H2 | 109.5° | 109.9° |
| S | C | H3 | 109.5° | 109.9° |
| C | S | HS | 109.5° | 96.6° |
| H1 | C | H2 | 109.5° | 109.0° |
| H1 | C | H3 | 109.4° | 109.1° |
| H2 | C | H3 | 109.5° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | C | H1 | H2 | 120.0° | 120.5° |
| S | C | H1 | H3 | 120.0° | 120.5° |
| S | C | H2 | H3 | 120.0° | 120.4° |
| H1 | C | H2 | H3 | 120.0° | 119.1° |
| H1 | C | S | HS | 180.0° | 60.0° |
| H2 | C | S | HS | 60.0° | 60.0° |
| H3 | C | S | HS | 60.0° | 179.9° |
