G3F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | C2 | sing | 1.43Å | 1.39Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| F3 | C3 | sing | 1.40Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | C5 | sing | 1.43Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.49Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 107.4° | 109.5° |
| O1 | C1 | O5 | 106.3° | 109.5° |
| O1 | C1 | H1 | 112.3° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C2 | C1 | O5 | 107.7° | 109.4° |
| C2 | C1 | H1 | 110.9° | 109.5° |
| C1 | C2 | O2 | 112.4° | 109.6° |
| C1 | C2 | C3 | 108.7° | 109.2° |
| C1 | C2 | H2 | 107.8° | 109.5° |
| O5 | C1 | H1 | 112.0° | 109.5° |
| C1 | O5 | C5 | 114.2° | 114.1° |
| O2 | C2 | C3 | 108.9° | 109.5° |
| O2 | C2 | H2 | 107.6° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 113.9° |
| C3 | C2 | H2 | 111.3° | 109.5° |
| C2 | C3 | F3 | 107.7° | 109.6° |
| C2 | C3 | C4 | 109.9° | 109.1° |
| C2 | C3 | H3 | 110.1° | 109.5° |
| F3 | C3 | C4 | 108.5° | 109.5° |
| F3 | C3 | H3 | 111.4° | 109.6° |
| C4 | C3 | H3 | 109.2° | 109.6° |
| C3 | C4 | C5 | 109.5° | 109.1° |
| C3 | C4 | O4 | 110.2° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C5 | C4 | O4 | 111.1° | 109.5° |
| C5 | C4 | H4 | 108.6° | 109.5° |
| C4 | C5 | O5 | 109.3° | 109.4° |
| C4 | C5 | C6 | 113.1° | 109.5° |
| C4 | C5 | H5 | 105.5° | 109.5° |
| O4 | C4 | H4 | 107.8° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O5 | C5 | C6 | 104.0° | 109.5° |
| O5 | C5 | H5 | 114.4° | 109.5° |
| C6 | C5 | H5 | 110.7° | 109.5° |
| C5 | C6 | O6 | 112.3° | 109.5° |
| C5 | C6 | H61 | 108.5° | 109.4° |
| C5 | C6 | H62 | 108.6° | 109.4° |
| O6 | C6 | H61 | 108.5° | 109.5° |
| O6 | C6 | H62 | 108.6° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 110.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 114.1° | 120.0° |
| O1 | C1 | C2 | H1 | 123.0° | 120.0° |
| O1 | C1 | O5 | H1 | 122.9° | 120.1° |
| O1 | C1 | C2 | O2 | 64.8° | 62.5° |
| O1 | C1 | C2 | C3 | 174.5° | 177.6° |
| O1 | C1 | C2 | H2 | 53.7° | 57.7° |
| O1 | C1 | O5 | C5 | 178.4° | 178.9° |
| C2 | C1 | O5 | H1 | 122.2° | 119.9° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | O2 | C3 | 120.6° | 119.7° |
| C1 | C2 | O2 | H2 | 118.6° | 120.2° |
| C1 | C2 | C3 | H2 | 118.7° | 119.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | F3 | 176.5° | 176.8° |
| C1 | C2 | C3 | C4 | 58.5° | 57.0° |
| C1 | C2 | C3 | H3 | 61.9° | 62.9° |
| C2 | C1 | O5 | C5 | 63.5° | 61.1° |
| O5 | C1 | O1 | HO1 | 64.9° | 60.0° |
| O5 | C1 | C2 | O2 | 178.9° | 177.5° |
| O5 | C1 | C2 | C3 | 60.4° | 57.6° |
| O5 | C1 | C2 | H2 | 60.5° | 62.3° |
| C1 | O5 | C5 | C4 | 60.9° | 61.2° |
| C1 | O5 | C5 | C6 | 178.0° | 178.8° |
| C1 | O5 | C5 | H5 | 57.1° | 58.8° |
| H1 | C1 | O1 | HO1 | 57.8° | 60.0° |
| H1 | C1 | C2 | O2 | 58.2° | 57.5° |
| H1 | C1 | C2 | C3 | 62.4° | 62.4° |
| H1 | C1 | C2 | H2 | 176.7° | 177.7° |
| H1 | C1 | O5 | C5 | 58.7° | 58.8° |
| O2 | C2 | C3 | H2 | 118.5° | 120.1° |
| O2 | C2 | C3 | F3 | 60.7° | 63.2° |
| O2 | C2 | C3 | C4 | 178.7° | 176.9° |
| O2 | C2 | C3 | H3 | 60.9° | 57.0° |
| C3 | C2 | O2 | HO2 | 59.4° | 179.7° |
| C2 | C3 | F3 | C4 | 118.9° | 119.6° |
| C2 | C3 | F3 | H3 | 120.8° | 120.2° |
| C2 | C3 | C4 | H3 | 120.9° | 119.9° |
| C2 | C3 | C4 | C5 | 55.5° | 57.0° |
| C2 | C3 | C4 | O4 | 178.0° | 176.9° |
| C2 | C3 | C4 | H4 | 63.5° | 62.9° |
| H2 | C2 | O2 | HO2 | 61.4° | 60.2° |
| H2 | C2 | C3 | F3 | 57.9° | 56.9° |
| H2 | C2 | C3 | C4 | 60.2° | 63.0° |
| H2 | C2 | C3 | H3 | 179.5° | 177.1° |
| F3 | C3 | C4 | H3 | 121.6° | 120.3° |
| F3 | C3 | C4 | C5 | 173.0° | 176.8° |
| F3 | C3 | C4 | O4 | 64.4° | 63.3° |
| F3 | C3 | C4 | H4 | 54.0° | 57.0° |
| C3 | C4 | C5 | O4 | 122.0° | 119.9° |
| C3 | C4 | C5 | H4 | 119.6° | 119.8° |
| C3 | C4 | O4 | H4 | 119.5° | 120.1° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | O5 | 54.6° | 57.6° |
| C3 | C4 | C5 | C6 | 170.0° | 177.6° |
| C3 | C4 | C5 | H5 | 68.8° | 62.4° |
| H3 | C3 | C4 | C5 | 65.4° | 62.9° |
| H3 | C3 | C4 | O4 | 57.1° | 57.0° |
| H3 | C3 | C4 | H4 | 175.6° | 177.2° |
| C5 | C4 | O4 | H4 | 118.9° | 120.2° |
| C5 | C4 | O4 | HO4 | 58.5° | 179.7° |
| C4 | C5 | O5 | C6 | 121.1° | 120.0° |
| C4 | C5 | O5 | H5 | 118.0° | 120.0° |
| C4 | C5 | C6 | H5 | 118.2° | 120.0° |
| C4 | C5 | C6 | O6 | 165.5° | 175.0° |
| C4 | C5 | C6 | H61 | 45.5° | 55.0° |
| C4 | C5 | C6 | H62 | 74.5° | 65.0° |
| O4 | C4 | C5 | O5 | 176.6° | 177.5° |
| O4 | C4 | C5 | C6 | 68.0° | 62.5° |
| O4 | C4 | C5 | H5 | 53.2° | 57.5° |
| H4 | C4 | O4 | HO4 | 60.5° | 60.1° |
| H4 | C4 | C5 | O5 | 64.9° | 62.2° |
| H4 | C4 | C5 | C6 | 50.5° | 57.8° |
| H4 | C4 | C5 | H5 | 171.7° | 177.8° |
| O5 | C5 | C6 | H5 | 123.3° | 120.0° |
| O5 | C5 | C6 | O6 | 76.0° | 65.0° |
| O5 | C5 | C6 | H61 | 164.0° | 174.9° |
| O5 | C5 | C6 | H62 | 44.0° | 55.0° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 118.9° | 119.9° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| H5 | C5 | C6 | O6 | 47.3° | 55.0° |
| H5 | C5 | C6 | H61 | 72.7° | 65.0° |
| H5 | C5 | C6 | H62 | 167.3° | 175.0° |
| O6 | C6 | H61 | H62 | 118.9° | 120.1° |
| H61 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.0° | 60.0° |
