WIY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.40Å | 1.33Å | |
| F2 | C1 | sing | 1.40Å | 1.33Å | |
| C1 | F3 | sing | 1.40Å | 1.33Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C4 | O1 | sing | 1.43Å | 1.41Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | F2 | 106.3° | 109.5° |
| F1 | C1 | F3 | 106.3° | 109.5° |
| F1 | C1 | C2 | 112.6° | 109.5° |
| F2 | C1 | F3 | 106.1° | 109.5° |
| F2 | C1 | C2 | 112.5° | 109.4° |
| F3 | C1 | C2 | 112.5° | 109.4° |
| C1 | C2 | C3 | 117.4° | 109.5° |
| C1 | C2 | H1 | 107.4° | 109.5° |
| C1 | C2 | H2 | 107.4° | 109.5° |
| C2 | C3 | C4 | 125.6° | 109.5° |
| C3 | C2 | H1 | 107.5° | 109.4° |
| C3 | C2 | H2 | 107.4° | 109.5° |
| C2 | C3 | H3 | 105.3° | 109.5° |
| C2 | C3 | H4 | 105.3° | 109.4° |
| C3 | C4 | O1 | 119.2° | 109.4° |
| C3 | C4 | H5 | 107.0° | 109.5° |
| C3 | C4 | H6 | 107.0° | 109.4° |
| C4 | C3 | H3 | 105.3° | 109.5° |
| C4 | C3 | H4 | 105.3° | 109.5° |
| O1 | C4 | H5 | 107.0° | 109.5° |
| O1 | C4 | H6 | 107.0° | 109.5° |
| C4 | O1 | H7 | 109.5° | 114.0° |
| H5 | C4 | H6 | 109.4° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H3 | C3 | H4 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | F2 | F3 | 112.9° | 120.0° |
| F1 | C1 | F2 | C2 | 123.7° | 120.1° |
| F1 | C1 | F3 | C2 | 123.6° | 120.0° |
| F1 | C1 | C2 | C3 | 157.4° | 180.0° |
| F1 | C1 | C2 | H1 | 36.2° | 60.0° |
| F1 | C1 | C2 | H2 | 81.5° | 59.9° |
| F2 | C1 | F3 | C2 | 123.5° | 119.9° |
| F2 | C1 | C2 | C3 | 37.3° | 60.0° |
| F2 | C1 | C2 | H1 | 83.9° | 60.0° |
| F2 | C1 | C2 | H2 | 158.4° | 180.0° |
| F3 | C1 | C2 | C3 | 82.6° | 60.0° |
| F3 | C1 | C2 | H1 | 156.3° | 180.0° |
| F3 | C1 | C2 | H2 | 38.6° | 60.1° |
| C1 | C2 | C3 | H1 | 121.1° | 120.0° |
| C1 | C2 | C3 | H2 | 121.1° | 120.1° |
| C1 | C2 | C3 | C4 | 42.9° | 180.0° |
| C1 | C2 | H1 | H2 | 116.4° | 120.0° |
| C1 | C2 | C3 | H3 | 79.2° | 60.0° |
| C1 | C2 | C3 | H4 | 165.0° | 60.0° |
| C2 | C3 | C4 | H3 | 122.2° | 120.0° |
| C2 | C3 | C4 | H4 | 122.1° | 120.0° |
| C2 | C3 | C4 | O1 | 98.5° | 180.0° |
| C2 | C3 | C4 | H5 | 22.9° | 60.0° |
| C2 | C3 | C4 | H6 | 140.1° | 60.0° |
| C3 | C2 | H1 | H2 | 116.4° | 120.0° |
| C2 | C3 | H3 | H4 | 112.8° | 119.9° |
| C3 | C4 | O1 | H5 | 121.4° | 120.0° |
| C3 | C4 | O1 | H6 | 121.4° | 119.9° |
| C3 | C4 | H5 | H6 | 115.6° | 119.9° |
| C4 | C3 | C2 | H1 | 164.0° | 60.0° |
| C4 | C3 | C2 | H2 | 78.2° | 60.0° |
| C4 | C3 | H3 | H4 | 112.8° | 120.0° |
| C3 | C4 | O1 | H7 | 180.0° | 180.0° |
| O1 | C4 | H5 | H6 | 115.6° | 120.1° |
| O1 | C4 | C3 | H3 | 139.3° | 60.0° |
| O1 | C4 | C3 | H4 | 23.6° | 59.9° |
| H5 | C4 | C3 | H3 | 99.3° | 60.0° |
| H5 | C4 | C3 | H4 | 145.0° | 180.0° |
| H5 | C4 | O1 | H7 | 58.6° | 60.0° |
| H6 | C4 | C3 | H3 | 17.9° | 180.0° |
| H6 | C4 | C3 | H4 | 97.8° | 60.0° |
| H6 | C4 | O1 | H7 | 58.6° | 60.1° |
| H1 | C2 | C3 | H3 | 41.9° | 60.0° |
| H1 | C2 | C3 | H4 | 73.8° | 180.0° |
| H2 | C2 | C3 | H3 | 159.6° | 180.0° |
| H2 | C2 | C3 | H4 | 43.9° | 60.1° |
