72I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| I3 | HG1 | sing | 2.65Å | 2.75Å | |
| I1 | HG1 | sing | 2.65Å | 2.78Å | |
| HG1 | I2 | sing | 2.65Å | 2.76Å | |
| HG1 | I4 | sing | 2.65Å | 2.81Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| I3 | HG1 | I1 | 119.1° | 109.5° |
| I3 | HG1 | I2 | 105.4° | 109.5° |
| I3 | HG1 | I4 | 103.4° | 109.5° |
| I1 | HG1 | I2 | 108.3° | 109.5° |
| I1 | HG1 | I4 | 113.2° | 109.5° |
| I2 | HG1 | I4 | 106.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| I3 | HG1 | I1 | I2 | 120.3° | 120.0° |
| I3 | HG1 | I1 | I4 | 121.9° | 120.0° |
| I3 | HG1 | I2 | I4 | 109.5° | 120.0° |
| I1 | HG1 | I2 | I4 | 122.0° | 120.0° |
