FPA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | F1 | sing | 1.40Å | 1.28Å | |
| C1 | F2 | sing | 1.40Å | 1.27Å | |
| C1 | C2 | sing | 1.51Å | 1.46Å | |
| C1 | BR1 | sing | 1.97Å | 1.90Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | O2 | sing | 1.34Å | 1.34Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | F2 | 97.6° | 109.5° |
| F1 | C1 | C2 | 105.9° | 109.5° |
| F1 | C1 | BR1 | 114.0° | 109.5° |
| F2 | C1 | C2 | 91.7° | 109.5° |
| F2 | C1 | BR1 | 125.1° | 109.5° |
| C2 | C1 | BR1 | 118.5° | 109.5° |
| C1 | C2 | O1 | 114.8° | 120.0° |
| C1 | C2 | O2 | 110.8° | 120.0° |
| O1 | C2 | O2 | 118.8° | 120.0° |
| C2 | O2 | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | F2 | C2 | 106.3° | 120.0° |
| F1 | C1 | F2 | BR1 | 126.5° | 120.0° |
| F1 | C1 | C2 | BR1 | 129.5° | 120.0° |
| F1 | C1 | C2 | O1 | 14.0° | 120.0° |
| F1 | C1 | C2 | O2 | 124.0° | 60.0° |
| F2 | C1 | C2 | BR1 | 132.1° | 120.0° |
| F2 | C1 | C2 | O1 | 112.4° | 120.0° |
| F2 | C1 | C2 | O2 | 25.6° | 60.0° |
| C1 | C2 | O1 | O2 | 134.4° | 180.0° |
| C1 | C2 | O2 | H1 | 136.2° | 180.0° |
| BR1 | C1 | C2 | O1 | 115.5° | 0.0° |
| BR1 | C1 | C2 | O2 | 106.5° | 180.0° |
| O1 | C2 | O2 | H1 | 0.0° | 0.0° |
