RF6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C3 | sing | 1.38Å | 1.33Å | |
| N | C3 | doub | 1.32Å | 1.36Å | Aromatic |
| N | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C3 | N1 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C4 | doub | 1.32Å | 1.35Å | Aromatic |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C3 | N | 117.3° | 119.2° |
| N2 | C3 | N1 | 117.4° | 119.2° |
| C3 | N2 | H6 | 109.5° | 120.0° |
| C3 | N2 | H7 | 109.5° | 120.0° |
| C3 | N | C2 | 116.5° | 120.8° |
| N | C3 | N1 | 125.3° | 121.5° |
| N | C2 | C1 | 115.2° | 120.4° |
| N | C2 | C5 | 121.9° | 119.2° |
| C2 | C1 | C | 115.3° | 109.5° |
| C1 | C2 | C5 | 122.9° | 120.4° |
| C2 | C1 | H11 | 108.0° | 109.4° |
| C2 | C1 | H12 | 108.0° | 109.5° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H9 | 109.5° | 109.5° |
| C | C1 | H11 | 108.0° | 109.5° |
| C1 | C | H10 | 109.4° | 109.5° |
| C | C1 | H12 | 108.0° | 109.5° |
| C3 | N1 | C4 | 116.6° | 120.8° |
| C2 | C5 | C4 | 117.8° | 118.6° |
| C2 | C5 | H13 | 121.1° | 120.7° |
| N1 | C4 | C5 | 121.9° | 119.2° |
| N1 | C4 | C6 | 116.4° | 120.4° |
| C7 | C6 | C4 | 113.8° | 109.5° |
| C7 | C6 | H1 | 108.4° | 109.5° |
| C6 | C7 | H3 | 109.5° | 109.5° |
| C6 | C7 | H4 | 109.5° | 109.5° |
| C7 | C6 | H2 | 108.4° | 109.5° |
| C6 | C7 | H5 | 109.5° | 109.5° |
| C5 | C4 | C6 | 121.7° | 120.4° |
| C4 | C5 | H13 | 121.1° | 120.7° |
| C4 | C6 | H1 | 108.4° | 109.5° |
| C4 | C6 | H2 | 108.4° | 109.5° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.4° | 109.5° |
| H3 | C7 | H5 | 109.5° | 109.4° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H6 | N2 | H7 | 109.5° | 120.0° |
| H8 | C | H9 | 109.4° | 109.5° |
| H8 | C | H10 | 109.4° | 109.5° |
| H9 | C | H10 | 109.5° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C3 | N | N1 | 179.2° | 180.0° |
| N2 | C3 | N | C2 | 178.7° | 180.0° |
| N2 | C3 | N1 | C4 | 178.7° | 180.0° |
| C3 | N2 | H6 | H7 | 120.0° | 179.9° |
| C3 | N | C2 | C1 | 178.7° | 180.0° |
| C3 | N | C2 | C5 | 0.2° | 0.0° |
| N | C3 | N1 | C4 | 0.6° | 0.0° |
| N | C3 | N2 | H6 | 0.0° | 0.0° |
| N | C3 | N2 | H7 | 120.0° | 179.9° |
| N | C2 | C1 | C5 | 178.5° | 180.0° |
| N | C2 | C1 | C | 167.3° | 55.0° |
| C2 | N | C3 | N1 | 0.5° | 0.0° |
| N | C2 | C5 | C4 | 0.7° | 0.0° |
| N | C2 | C1 | H11 | 71.9° | 65.0° |
| N | C2 | C5 | H13 | 179.3° | 180.0° |
| N | C2 | C1 | H12 | 46.4° | 175.0° |
| C2 | C1 | C | H11 | 120.9° | 120.0° |
| C2 | C1 | C | H12 | 120.9° | 120.0° |
| C1 | C2 | C5 | C4 | 179.1° | 180.0° |
| C2 | C1 | C | H8 | 180.0° | 60.0° |
| C2 | C1 | C | H9 | 60.0° | 180.0° |
| C2 | C1 | H11 | H12 | 117.4° | 120.0° |
| C1 | C2 | C5 | H13 | 0.9° | 0.1° |
| C2 | C1 | C | H10 | 60.0° | 60.0° |
| C | C1 | C2 | C5 | 14.3° | 125.0° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C1 | C | H8 | H10 | 120.0° | 120.1° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C | C1 | H11 | H12 | 117.3° | 120.1° |
| C3 | N1 | C4 | C5 | 0.0° | 0.0° |
| C3 | N1 | C4 | C6 | 178.8° | 180.0° |
| N1 | C3 | N2 | H6 | 179.3° | 180.0° |
| N1 | C3 | N2 | H7 | 59.3° | 0.1° |
| C2 | C5 | C4 | N1 | 0.6° | 0.0° |
| C2 | C5 | C4 | H13 | 180.0° | 179.9° |
| C2 | C5 | C4 | C6 | 178.2° | 180.0° |
| C5 | C2 | C1 | H11 | 106.6° | 115.0° |
| C5 | C2 | C1 | H12 | 135.1° | 5.0° |
| N1 | C4 | C6 | C7 | 69.1° | 55.0° |
| N1 | C4 | C5 | C6 | 178.8° | 180.0° |
| N1 | C4 | C6 | H1 | 51.6° | 175.0° |
| N1 | C4 | C5 | H13 | 179.3° | 179.9° |
| N1 | C4 | C6 | H2 | 170.3° | 65.0° |
| C7 | C6 | C4 | C5 | 112.1° | 125.0° |
| C7 | C6 | C4 | H1 | 120.6° | 120.0° |
| C7 | C6 | C4 | H2 | 120.7° | 120.0° |
| C7 | C6 | H1 | H2 | 118.0° | 120.0° |
| C6 | C7 | H3 | H4 | 120.0° | 120.0° |
| C6 | C7 | H3 | H5 | 120.0° | 120.0° |
| C6 | C7 | H4 | H5 | 120.0° | 120.1° |
| C5 | C4 | C6 | H1 | 127.3° | 5.0° |
| C5 | C4 | C6 | H2 | 8.6° | 115.0° |
| C4 | C6 | H1 | H2 | 118.0° | 120.0° |
| C4 | C6 | C7 | H3 | 180.0° | 60.0° |
| C4 | C6 | C7 | H4 | 60.0° | 60.0° |
| C6 | C4 | C5 | H13 | 1.8° | 0.1° |
| C4 | C6 | C7 | H5 | 60.0° | 180.0° |
| H1 | C6 | C7 | H3 | 59.3° | 60.0° |
| H1 | C6 | C7 | H4 | 60.6° | 180.0° |
| H1 | C6 | C7 | H5 | 179.4° | 60.0° |
| H3 | C7 | H4 | H5 | 120.0° | 119.9° |
| H3 | C7 | C6 | H2 | 59.4° | 180.0° |
| H4 | C7 | C6 | H2 | 179.3° | 60.0° |
| H8 | C | H9 | H10 | 120.0° | 120.0° |
| H8 | C | C1 | H11 | 59.2° | 59.9° |
| H8 | C | C1 | H12 | 59.1° | 180.0° |
| H9 | C | C1 | H11 | 179.2° | 60.0° |
| H9 | C | C1 | H12 | 60.9° | 60.0° |
| H11 | C1 | C | H10 | 60.8° | 180.0° |
| H2 | C6 | C7 | H5 | 60.7° | 60.0° |
| H10 | C | C1 | H12 | 179.1° | 60.0° |
