3BR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C1 | sing | 1.96Å | 1.94Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C3 | H33 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C1 | C2 | 115.0° | 109.5° |
| BR1 | C1 | H11 | 110.2° | 109.5° |
| BR1 | C1 | H12 | 110.2° | 109.5° |
| C2 | C1 | H11 | 110.2° | 109.5° |
| C2 | C1 | H12 | 110.2° | 109.5° |
| C1 | C2 | C3 | 109.8° | 109.5° |
| C1 | C2 | H21 | 112.1° | 109.4° |
| C1 | C2 | H22 | 112.1° | 109.4° |
| H11 | C1 | H12 | 100.1° | 109.4° |
| C3 | C2 | H21 | 112.1° | 109.5° |
| C3 | C2 | H22 | 112.1° | 109.5° |
| C2 | C3 | H31 | 112.1° | 109.6° |
| C2 | C3 | H32 | 109.8° | 109.4° |
| C2 | C3 | H33 | 112.1° | 109.4° |
| H21 | C2 | H22 | 98.3° | 109.4° |
| H31 | C3 | H32 | 112.1° | 109.5° |
| H31 | C3 | H33 | 98.3° | 109.5° |
| H32 | C3 | H33 | 112.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C1 | C2 | H11 | 125.3° | 120.0° |
| BR1 | C1 | C2 | H12 | 125.3° | 120.0° |
| BR1 | C1 | H11 | H12 | 116.0° | 119.9° |
| BR1 | C1 | C2 | C3 | 179.9° | 180.0° |
| BR1 | C1 | C2 | H21 | 54.9° | 59.9° |
| BR1 | C1 | C2 | H22 | 54.6° | 59.9° |
| C2 | C1 | H11 | H12 | 116.0° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 118.0° | 119.9° |
| C1 | C2 | C3 | H31 | 54.7° | 180.0° |
| C1 | C2 | C3 | H32 | 180.0° | 60.0° |
| C1 | C2 | C3 | H33 | 54.7° | 60.0° |
| H11 | C1 | C2 | C3 | 54.6° | 60.0° |
| H11 | C1 | C2 | H21 | 179.9° | 180.0° |
| H11 | C1 | C2 | H22 | 70.6° | 60.1° |
| H12 | C1 | C2 | C3 | 54.9° | 60.0° |
| H12 | C1 | C2 | H21 | 70.4° | 60.1° |
| H12 | C1 | C2 | H22 | 179.9° | 180.0° |
| C3 | C2 | H21 | H22 | 118.0° | 120.0° |
| C2 | C3 | H31 | H32 | 124.0° | 120.0° |
| C2 | C3 | H31 | H33 | 118.0° | 120.0° |
| C2 | C3 | H32 | H33 | 125.3° | 119.9° |
| H21 | C2 | C3 | H31 | 180.0° | 60.0° |
| H21 | C2 | C3 | H32 | 54.7° | 60.1° |
| H21 | C2 | C3 | H33 | 70.5° | 180.0° |
| H22 | C2 | C3 | H31 | 70.5° | 60.0° |
| H22 | C2 | C3 | H32 | 54.7° | 180.0° |
| H22 | C2 | C3 | H33 | 180.0° | 60.1° |
| H31 | C3 | H32 | H33 | 109.5° | 120.0° |
