HLT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.40Å | 1.33Å | |
| C2 | F2 | sing | 1.40Å | 1.34Å | |
| C2 | F3 | sing | 1.40Å | 1.34Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C1 | BR | sing | 1.96Å | 1.87Å | |
| C1 | CL | sing | 1.80Å | 1.74Å | |
| C1 | HC1 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | F2 | 109.7° | 109.5° |
| F1 | C2 | F3 | 109.5° | 109.4° |
| F1 | C2 | C1 | 108.8° | 109.5° |
| F2 | C2 | F3 | 110.0° | 109.4° |
| F2 | C2 | C1 | 109.3° | 109.4° |
| F3 | C2 | C1 | 109.5° | 109.5° |
| C2 | C1 | BR | 108.7° | 109.5° |
| C2 | C1 | CL | 108.2° | 109.4° |
| C2 | C1 | HC1 | 110.6° | 109.5° |
| BR | C1 | CL | 108.9° | 109.4° |
| BR | C1 | HC1 | 109.9° | 109.5° |
| CL | C1 | HC1 | 110.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | F2 | F3 | 120.5° | 119.9° |
| F1 | C2 | F2 | C1 | 119.2° | 120.0° |
| F1 | C2 | F3 | C1 | 119.2° | 120.1° |
| F1 | C2 | C1 | BR | 74.3° | 179.9° |
| F1 | C2 | C1 | CL | 43.7° | 60.0° |
| F1 | C2 | C1 | HC1 | 164.9° | 59.9° |
| F2 | C2 | F3 | C1 | 120.1° | 120.0° |
| F2 | C2 | C1 | BR | 165.9° | 60.0° |
| F2 | C2 | C1 | CL | 76.1° | 180.0° |
| F2 | C2 | C1 | HC1 | 45.1° | 60.1° |
| F3 | C2 | C1 | BR | 45.3° | 59.9° |
| F3 | C2 | C1 | CL | 163.4° | 60.0° |
| F3 | C2 | C1 | HC1 | 75.5° | 180.0° |
| C2 | C1 | BR | CL | 117.6° | 119.9° |
| C2 | C1 | BR | HC1 | 121.2° | 120.1° |
| C2 | C1 | CL | HC1 | 121.2° | 120.0° |
| BR | C1 | CL | HC1 | 120.9° | 120.0° |
