XZ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | S | doub | 1.42Å | 1.44Å | |
| O1 | S | doub | 1.42Å | 1.44Å | |
| C | S | sing | 1.81Å | 1.76Å | |
| S | C1 | sing | 1.81Å | 1.75Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | S | O1 | 116.7° | 119.2° |
| O | S | C | 108.7° | 108.6° |
| O | S | C1 | 108.8° | 108.6° |
| O1 | S | C | 108.5° | 108.6° |
| O1 | S | C1 | 109.0° | 108.6° |
| C | S | C1 | 104.3° | 102.0° |
| S | C | H1 | 109.5° | 109.5° |
| S | C | H2 | 109.5° | 109.4° |
| S | C | H3 | 109.5° | 109.4° |
| S | C1 | H4 | 109.5° | 109.4° |
| S | C1 | H5 | 109.5° | 109.5° |
| S | C1 | H6 | 109.5° | 109.4° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.4° | 109.5° |
| H4 | C1 | H5 | 109.4° | 109.5° |
| H4 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | S | O1 | C | 123.2° | 125.0° |
| O | S | O1 | C1 | 123.8° | 125.0° |
| O | S | C | C1 | 116.0° | 114.5° |
| O | S | C | H1 | 180.0° | 65.5° |
| O | S | C | H2 | 60.0° | 174.5° |
| O | S | C | H3 | 60.0° | 54.5° |
| O | S | C1 | H4 | 180.0° | 174.5° |
| O | S | C1 | H5 | 60.0° | 65.5° |
| O | S | C1 | H6 | 60.0° | 54.5° |
| O1 | S | C | C1 | 116.1° | 114.5° |
| O1 | S | C | H1 | 52.1° | 65.5° |
| O1 | S | C | H2 | 172.1° | 54.5° |
| O1 | S | C | H3 | 67.9° | 174.5° |
| O1 | S | C1 | H4 | 51.6° | 54.5° |
| O1 | S | C1 | H5 | 68.3° | 65.5° |
| O1 | S | C1 | H6 | 171.7° | 174.5° |
| S | C | H1 | H2 | 120.0° | 120.0° |
| S | C | H1 | H3 | 120.0° | 120.0° |
| S | C | H2 | H3 | 120.0° | 119.9° |
| C | S | C1 | H4 | 64.1° | 60.0° |
| C | S | C1 | H5 | 175.9° | 180.0° |
| C | S | C1 | H6 | 56.0° | 60.0° |
| C1 | S | C | H1 | 64.0° | 180.0° |
| C1 | S | C | H2 | 56.0° | 60.0° |
| C1 | S | C | H3 | 175.9° | 60.0° |
| S | C1 | H4 | H5 | 120.0° | 120.0° |
| S | C1 | H4 | H6 | 120.0° | 119.9° |
| S | C1 | H5 | H6 | 120.0° | 120.0° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
| H4 | C1 | H5 | H6 | 120.0° | 120.0° |
