CFT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | FB1 | sing | 1.40Å | 1.31Å | |
| C1 | FB2 | sing | 1.40Å | 1.32Å | |
| C1 | FB3 | sing | 1.40Å | 1.30Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FB1 | C1 | FB2 | 105.7° | 109.5° |
| FB1 | C1 | FB3 | 105.4° | 109.5° |
| FB1 | C1 | H1 | 113.0° | 109.5° |
| FB2 | C1 | FB3 | 104.9° | 109.5° |
| FB2 | C1 | H1 | 113.4° | 109.5° |
| FB3 | C1 | H1 | 113.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FB1 | C1 | FB2 | FB3 | 111.1° | 120.0° |
| FB1 | C1 | FB2 | H1 | 124.3° | 120.0° |
| FB1 | C1 | FB3 | H1 | 124.3° | 120.0° |
| FB2 | C1 | FB3 | H1 | 124.5° | 120.0° |
