QF6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.36Å | 1.38Å | Aromatic |
| C13 | C03 | doub | 1.37Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.37Å | |
| C03 | C04 | sing | 1.41Å | 1.45Å | Aromatic |
| C10 | C04 | doub | 1.41Å | 1.40Å | Aromatic |
| C10 | C08 | sing | 1.42Å | 1.45Å | Aromatic |
| C01 | O02 | sing | 1.43Å | 1.42Å | |
| N09 | C08 | sing | 1.39Å | 1.38Å | |
| C04 | N05 | sing | 1.34Å | 1.38Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| N05 | C06 | doub | 1.31Å | 1.35Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| N09 | H092 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 120.3° | 120.8° |
| C12 | C13 | C03 | 120.6° | 121.0° |
| C13 | C12 | H121 | 119.9° | 119.6° |
| C12 | C13 | H131 | 119.7° | 119.5° |
| C12 | C11 | C10 | 121.0° | 119.7° |
| C12 | C11 | H111 | 119.5° | 120.1° |
| C11 | C12 | H121 | 119.9° | 119.6° |
| C13 | C03 | O02 | 120.3° | 120.2° |
| C13 | C03 | C04 | 119.5° | 119.6° |
| C03 | C13 | H131 | 119.7° | 119.5° |
| C11 | C10 | C04 | 119.3° | 119.8° |
| C11 | C10 | C08 | 122.9° | 121.3° |
| C10 | C11 | H111 | 119.5° | 120.1° |
| O02 | C03 | C04 | 120.2° | 120.2° |
| C03 | O02 | C01 | 116.8° | 117.0° |
| C03 | C04 | C10 | 119.4° | 119.0° |
| C03 | C04 | N05 | 117.6° | 121.0° |
| C04 | C10 | C08 | 117.8° | 118.9° |
| C10 | C04 | N05 | 123.0° | 120.0° |
| C10 | C08 | N09 | 121.9° | 121.0° |
| C10 | C08 | C07 | 119.0° | 117.9° |
| O02 | C01 | H013 | 109.5° | 109.5° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| N09 | C08 | C07 | 119.1° | 121.1° |
| C08 | N09 | H092 | 109.5° | 120.0° |
| C08 | N09 | H091 | 109.5° | 120.0° |
| C04 | N05 | C06 | 116.8° | 121.7° |
| C08 | C07 | C06 | 118.5° | 119.7° |
| C08 | C07 | H071 | 120.8° | 120.2° |
| N05 | C06 | C07 | 124.9° | 121.9° |
| N05 | C06 | H061 | 117.6° | 119.1° |
| C07 | C06 | H061 | 117.5° | 119.1° |
| C06 | C07 | H071 | 120.8° | 120.2° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H092 | N09 | H091 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H121 | 180.0° | 179.4° |
| C12 | C13 | C03 | H131 | 180.0° | 179.5° |
| C13 | C12 | C11 | C10 | 0.0° | 0.3° |
| C12 | C13 | C03 | O02 | 179.9° | 179.7° |
| C12 | C13 | C03 | C04 | 0.1° | 0.5° |
| C13 | C12 | C11 | H111 | 180.0° | 179.7° |
| C11 | C12 | C13 | C03 | 0.1° | 0.6° |
| C12 | C11 | C10 | H111 | 180.0° | 180.0° |
| C12 | C11 | C10 | C04 | 0.0° | 0.0° |
| C12 | C11 | C10 | C08 | 180.0° | 180.0° |
| C11 | C12 | C13 | H131 | 180.0° | 179.9° |
| C13 | C03 | O02 | C04 | 179.8° | 179.8° |
| C13 | C03 | C04 | C10 | 0.1° | 0.2° |
| C13 | C03 | O02 | C01 | 64.7° | 0.2° |
| C13 | C03 | C04 | N05 | 180.0° | 179.7° |
| C03 | C13 | C12 | H121 | 179.9° | 180.0° |
| C11 | C10 | C04 | C03 | 0.1° | 0.0° |
| C11 | C10 | C04 | C08 | 180.0° | 180.0° |
| C11 | C10 | C08 | N09 | 0.1° | 0.0° |
| C11 | C10 | C04 | N05 | 180.0° | 180.0° |
| C11 | C10 | C08 | C07 | 179.9° | 179.9° |
| C10 | C11 | C12 | H121 | 180.0° | 179.8° |
| O02 | C03 | C04 | C10 | 179.9° | 180.0° |
| O02 | C03 | C04 | N05 | 0.2° | 0.0° |
| C03 | O02 | C01 | H013 | 180.0° | 60.0° |
| C03 | O02 | C01 | H012 | 60.0° | 60.0° |
| C03 | O02 | C01 | H011 | 60.0° | 179.9° |
| O02 | C03 | C13 | H131 | 0.1° | 0.2° |
| C03 | C04 | C10 | N05 | 179.9° | 180.0° |
| C03 | C04 | C10 | C08 | 179.9° | 180.0° |
| C04 | C03 | O02 | C01 | 115.1° | 180.0° |
| C03 | C04 | N05 | C06 | 180.0° | 180.0° |
| C04 | C03 | C13 | H131 | 179.9° | 180.0° |
| C04 | C10 | C08 | N09 | 179.9° | 180.0° |
| C04 | C10 | C08 | C07 | 0.1° | 0.0° |
| C10 | C04 | N05 | C06 | 0.1° | 0.1° |
| C04 | C10 | C11 | H111 | 180.0° | 180.0° |
| C10 | C08 | N09 | C07 | 179.8° | 180.0° |
| C08 | C10 | C04 | N05 | 0.0° | 0.0° |
| C10 | C08 | C07 | C06 | 0.1° | 0.0° |
| C10 | C08 | C07 | H071 | 179.9° | 180.0° |
| C08 | C10 | C11 | H111 | 0.0° | 0.0° |
| C10 | C08 | N09 | H092 | 180.0° | 180.0° |
| C10 | C08 | N09 | H091 | 60.0° | 0.0° |
| O02 | C01 | H013 | H012 | 120.0° | 120.0° |
| O02 | C01 | H013 | H011 | 120.0° | 120.0° |
| O02 | C01 | H012 | H011 | 120.0° | 120.0° |
| N09 | C08 | C07 | C06 | 180.0° | 180.0° |
| N09 | C08 | C07 | H071 | 0.0° | 0.0° |
| C08 | N09 | H092 | H091 | 120.0° | 180.0° |
| C04 | N05 | C06 | C07 | 0.1° | 0.1° |
| C04 | N05 | C06 | H061 | 179.9° | 180.0° |
| C08 | C07 | C06 | N05 | 0.1° | 0.1° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C08 | C07 | C06 | H061 | 179.9° | 180.0° |
| C07 | C08 | N09 | H092 | 0.2° | 0.0° |
| C07 | C08 | N09 | H091 | 119.9° | 180.0° |
| N05 | C06 | C07 | H061 | 180.0° | 179.9° |
| N05 | C06 | C07 | H071 | 179.8° | 179.9° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H061 | C06 | C07 | H071 | 0.2° | 0.0° |
| H111 | C11 | C12 | H121 | 0.0° | 0.3° |
| H121 | C12 | C13 | H131 | 0.0° | 0.5° |
