TF4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.51Å | 1.53Å | |
| C1 | CL1 | sing | 1.80Å | 1.77Å | |
| C1 | CL2 | sing | 1.80Å | 1.75Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.29Å | |
| C | O2 | sing | 1.34Å | 1.43Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | CL1 | 113.3° | 109.5° |
| C | C1 | CL2 | 109.9° | 109.5° |
| C | C1 | H1 | 107.8° | 109.5° |
| C1 | C | O | 121.4° | 120.0° |
| C1 | C | O2 | 115.5° | 120.0° |
| CL1 | C1 | CL2 | 113.1° | 109.4° |
| CL1 | C1 | H1 | 104.2° | 109.5° |
| CL2 | C1 | H1 | 108.0° | 109.5° |
| O | C | O2 | 123.0° | 120.0° |
| C | O2 | H2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | CL1 | CL2 | 126.0° | 120.0° |
| C | C1 | CL1 | H1 | 116.9° | 120.0° |
| C | C1 | CL2 | H1 | 117.4° | 120.0° |
| C1 | C | O | O2 | 176.2° | 180.0° |
| C1 | C | O2 | H2 | 176.4° | 180.0° |
| CL1 | C1 | CL2 | H1 | 114.8° | 120.0° |
| CL1 | C1 | C | O | 175.8° | 125.0° |
| CL1 | C1 | C | O2 | 0.7° | 55.0° |
| CL2 | C1 | C | O | 56.6° | 5.0° |
| CL2 | C1 | C | O2 | 127.0° | 175.0° |
| H1 | C1 | C | O | 60.9° | 115.0° |
| H1 | C1 | C | O2 | 115.5° | 65.0° |
| O | C | O2 | H2 | 0.0° | 0.0° |
