Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR3 | C1 | sing | 1.97Å | 0.00Å | |
| C1 | BR1 | sing | 1.97Å | 0.00Å | |
| C1 | BR2 | sing | 1.97Å | 114.29Å | |
| C1 | H1 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR3 | C1 | BR1 | 90.0° | 109.5° |
| BR3 | C1 | BR2 | 90.0° | 109.5° |
| BR3 | C1 | H1 | 90.0° | 109.5° |
| BR1 | C1 | BR2 | 90.0° | 109.5° |
| BR1 | C1 | H1 | 90.0° | 109.5° |
| BR2 | C1 | H1 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR3 | C1 | BR1 | BR2 | 90.0° | 120.0° |
| BR3 | C1 | BR1 | H1 | 90.0° | 120.0° |
| BR3 | C1 | BR2 | H1 | 90.0° | 120.0° |
| BR1 | C1 | BR2 | H1 | 90.0° | 120.0° |
