GF6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.25Å | |
| C1 | N1 | sing | 1.35Å | 1.35Å | |
| C1 | N2 | sing | 1.35Å | 1.37Å | |
| N2 | C2 | sing | 1.40Å | 1.42Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.49Å | |
| F1 | C7 | sing | 1.40Å | 1.34Å | |
| C7 | F2 | sing | 1.40Å | 1.31Å | |
| C7 | F3 | sing | 1.40Å | 1.35Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 121.8° | 120.0° |
| O1 | C1 | N2 | 124.5° | 120.0° |
| N1 | C1 | N2 | 113.7° | 120.0° |
| C1 | N1 | H2 | 120.0° | 119.9° |
| C1 | N1 | H1 | 120.0° | 120.0° |
| C1 | N2 | C2 | 129.1° | 120.0° |
| C1 | N2 | H3 | 115.5° | 120.1° |
| N2 | C2 | C3 | 114.8° | 120.0° |
| N2 | C2 | C8 | 126.8° | 120.1° |
| C2 | N2 | H3 | 115.4° | 120.0° |
| C3 | C2 | C8 | 118.4° | 119.9° |
| C2 | C3 | C4 | 121.1° | 119.9° |
| C2 | C3 | H4 | 119.5° | 120.1° |
| C2 | C8 | C6 | 119.7° | 120.0° |
| C2 | C8 | H7 | 120.2° | 120.1° |
| C3 | C4 | C5 | 120.7° | 120.1° |
| C3 | C4 | H5 | 119.6° | 119.9° |
| C4 | C3 | H4 | 119.5° | 120.1° |
| C8 | C6 | C5 | 121.2° | 120.1° |
| C8 | C6 | C7 | 119.9° | 120.0° |
| C6 | C8 | H7 | 120.2° | 120.0° |
| C4 | C5 | C6 | 118.9° | 120.1° |
| C5 | C4 | H5 | 119.7° | 120.0° |
| C4 | C5 | H6 | 120.5° | 119.9° |
| C5 | C6 | C7 | 118.7° | 120.0° |
| C6 | C5 | H6 | 120.5° | 119.9° |
| C6 | C7 | F1 | 113.9° | 109.5° |
| C6 | C7 | F2 | 109.0° | 109.4° |
| C6 | C7 | F3 | 115.3° | 109.4° |
| F1 | C7 | F2 | 105.9° | 109.6° |
| F1 | C7 | F3 | 106.9° | 109.4° |
| F2 | C7 | F3 | 105.1° | 109.5° |
| H2 | N1 | H1 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | N2 | 179.9° | 180.0° |
| O1 | C1 | N2 | C2 | 172.9° | 4.6° |
| O1 | C1 | N1 | H2 | 0.0° | 180.0° |
| O1 | C1 | N1 | H1 | 180.0° | 0.1° |
| O1 | C1 | N2 | H3 | 7.1° | 175.4° |
| N1 | C1 | N2 | C2 | 7.2° | 175.4° |
| C1 | N1 | H2 | H1 | 180.0° | 180.0° |
| N1 | C1 | N2 | H3 | 172.9° | 4.6° |
| C1 | N2 | C2 | H3 | 180.0° | 180.0° |
| C1 | N2 | C2 | C3 | 146.7° | 144.9° |
| C1 | N2 | C2 | C8 | 34.0° | 35.5° |
| N2 | C1 | N1 | H2 | 179.9° | 0.0° |
| N2 | C1 | N1 | H1 | 0.0° | 180.0° |
| N2 | C2 | C3 | C8 | 179.4° | 179.5° |
| N2 | C2 | C3 | C4 | 179.0° | 180.0° |
| N2 | C2 | C8 | C6 | 178.7° | 179.7° |
| N2 | C2 | C8 | H7 | 1.3° | 0.3° |
| N2 | C2 | C3 | H4 | 0.9° | 0.5° |
| C2 | C3 | C4 | H4 | 180.0° | 179.5° |
| C3 | C2 | C8 | C6 | 2.0° | 0.2° |
| C2 | C3 | C4 | C5 | 1.0° | 0.6° |
| C2 | C3 | C4 | H5 | 179.0° | 179.8° |
| C3 | C2 | C8 | H7 | 178.0° | 179.8° |
| C3 | C2 | N2 | H3 | 33.3° | 35.1° |
| C8 | C2 | C3 | C4 | 0.3° | 0.5° |
| C2 | C8 | C6 | H7 | 180.0° | 180.0° |
| C2 | C8 | C6 | C5 | 3.7° | 0.0° |
| C2 | C8 | C6 | C7 | 177.8° | 180.0° |
| C8 | C2 | N2 | H3 | 146.0° | 144.5° |
| C8 | C2 | C3 | H4 | 179.7° | 179.9° |
| C3 | C4 | C5 | H5 | 180.0° | 179.6° |
| C3 | C4 | C5 | C6 | 0.6° | 0.3° |
| C3 | C4 | C5 | H6 | 179.4° | 179.7° |
| C8 | C6 | C5 | C4 | 2.9° | 0.1° |
| C8 | C6 | C5 | C7 | 174.3° | 180.0° |
| C8 | C6 | C7 | F1 | 32.5° | 60.0° |
| C8 | C6 | C7 | F2 | 85.5° | 180.0° |
| C8 | C6 | C7 | F3 | 156.6° | 60.0° |
| C8 | C6 | C5 | H6 | 177.0° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 177.2° | 179.9° |
| C5 | C4 | C3 | H4 | 179.0° | 180.0° |
| C5 | C6 | C7 | F1 | 153.2° | 120.0° |
| C5 | C6 | C7 | F2 | 88.8° | 0.1° |
| C5 | C6 | C7 | F3 | 29.0° | 120.0° |
| C6 | C5 | C4 | H5 | 179.4° | 180.0° |
| C5 | C6 | C8 | H7 | 176.4° | 180.0° |
| C6 | C7 | F1 | F2 | 119.8° | 120.0° |
| C6 | C7 | F1 | F3 | 128.5° | 119.9° |
| C6 | C7 | F2 | F3 | 124.1° | 119.9° |
| C7 | C6 | C5 | H6 | 2.8° | 0.0° |
| C7 | C6 | C8 | H7 | 2.2° | 0.0° |
| F1 | C7 | F2 | F3 | 113.0° | 120.0° |
| H5 | C4 | C5 | H6 | 0.6° | 0.1° |
| H5 | C4 | C3 | H4 | 1.0° | 0.3° |
