FAC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O1 | sing | 1.43Å | 1.43Å | |
| C | O2 | sing | 1.43Å | 1.42Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C | C2 | sing | 1.53Å | 1.50Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C1 | F1 | sing | 1.40Å | 1.38Å | |
| C1 | F2 | sing | 1.40Å | 1.37Å | |
| C1 | F3 | sing | 1.40Å | 1.36Å | |
| C2 | F4 | sing | 1.40Å | 1.39Å | |
| C2 | F5 | sing | 1.40Å | 1.33Å | |
| C2 | F6 | sing | 1.40Å | 1.37Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C | O2 | 107.5° | 109.4° |
| O1 | C | C1 | 109.5° | 109.5° |
| O1 | C | C2 | 108.5° | 109.5° |
| C | O1 | H1 | 107.6° | 106.8° |
| O2 | C | C1 | 111.1° | 109.5° |
| O2 | C | C2 | 105.9° | 109.5° |
| C | O2 | H2 | 107.5° | 106.8° |
| C1 | C | C2 | 114.1° | 109.5° |
| C | C1 | F1 | 111.3° | 109.5° |
| C | C1 | F2 | 108.1° | 109.5° |
| C | C1 | F3 | 108.0° | 109.5° |
| C | C2 | F4 | 112.5° | 109.5° |
| C | C2 | F5 | 102.8° | 109.5° |
| C | C2 | F6 | 111.9° | 109.5° |
| F1 | C1 | F2 | 110.8° | 109.5° |
| F1 | C1 | F3 | 108.5° | 109.5° |
| F2 | C1 | F3 | 110.1° | 109.5° |
| F4 | C2 | F5 | 110.0° | 109.5° |
| F4 | C2 | F6 | 110.9° | 109.5° |
| F5 | C2 | F6 | 108.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C | O2 | C1 | 119.8° | 120.0° |
| O1 | C | O2 | C2 | 115.8° | 120.0° |
| O1 | C | C1 | C2 | 121.8° | 120.0° |
| O1 | C | O2 | H2 | 179.9° | 180.0° |
| O1 | C | C1 | F1 | 169.5° | 60.0° |
| O1 | C | C1 | F2 | 47.6° | 60.0° |
| O1 | C | C1 | F3 | 71.5° | 180.0° |
| O1 | C | C2 | F4 | 170.8° | 60.0° |
| O1 | C | C2 | F5 | 52.6° | 180.0° |
| O1 | C | C2 | F6 | 63.5° | 60.0° |
| O2 | C | C1 | C2 | 119.6° | 120.0° |
| O2 | C | O1 | H1 | 180.0° | 180.0° |
| O2 | C | C1 | F1 | 72.0° | 60.0° |
| O2 | C | C1 | F2 | 166.1° | 180.0° |
| O2 | C | C1 | F3 | 47.0° | 60.0° |
| O2 | C | C2 | F4 | 55.7° | 60.0° |
| O2 | C | C2 | F5 | 62.5° | 60.0° |
| O2 | C | C2 | F6 | 178.7° | 180.0° |
| C1 | C | O1 | H1 | 59.2° | 60.0° |
| C1 | C | O2 | H2 | 60.3° | 60.0° |
| C | C1 | F1 | F2 | 120.3° | 120.0° |
| C | C1 | F1 | F3 | 118.7° | 120.0° |
| C | C1 | F2 | F3 | 117.8° | 120.0° |
| C1 | C | C2 | F4 | 66.9° | 180.0° |
| C1 | C | C2 | F5 | 174.9° | 60.0° |
| C1 | C | C2 | F6 | 58.8° | 60.0° |
| C2 | C | O1 | H1 | 65.9° | 60.0° |
| C2 | C | O2 | H2 | 64.1° | 60.0° |
| C2 | C | C1 | F1 | 47.7° | 180.0° |
| C2 | C | C1 | F2 | 74.2° | 60.0° |
| C2 | C | C1 | F3 | 166.7° | 60.0° |
| C | C2 | F4 | F5 | 113.9° | 120.0° |
| C | C2 | F4 | F6 | 126.2° | 120.0° |
| C | C2 | F5 | F6 | 118.6° | 120.0° |
| F1 | C1 | F2 | F3 | 120.0° | 120.0° |
| F4 | C2 | F5 | F6 | 121.4° | 120.0° |
