HF9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C6 | C5 | doub | 1.36Å | 1.38Å | Aromatic |
C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
O7 | C1 | sing | 1.36Å | 1.37Å | |
C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
O10 | C12 | sing | 1.45Å | 1.47Å | |
O10 | C9 | sing | 1.35Å | 1.34Å | |
C4 | C9 | sing | 1.47Å | 1.49Å | |
C4 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
C9 | O11 | doub | 1.22Å | 1.21Å | |
C3 | O8 | sing | 1.36Å | 1.36Å | |
C6 | H1 | sing | 1.08Å | 1.08Å | |
C5 | H2 | sing | 1.08Å | 1.08Å | |
C2 | H3 | sing | 1.08Å | 1.08Å | |
O7 | H4 | sing | 0.97Å | 0.95Å | |
O8 | H5 | sing | 0.97Å | 0.95Å | |
C12 | H6 | sing | 1.09Å | 1.10Å | |
C12 | H7 | sing | 1.09Å | 1.10Å | |
C12 | H8 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5 | C6 | C1 | 120.3° | 120.4° |
C6 | C5 | C4 | 120.9° | 120.1° |
C5 | C6 | H1 | 119.9° | 119.8° |
C6 | C5 | H2 | 119.6° | 120.0° |
C6 | C1 | O7 | 117.8° | 119.8° |
C6 | C1 | C2 | 120.0° | 120.3° |
C1 | C6 | H1 | 119.9° | 119.8° |
O7 | C1 | C2 | 122.2° | 119.9° |
C1 | O7 | H4 | 109.5° | 114.1° |
C5 | C4 | C9 | 120.6° | 120.1° |
C5 | C4 | C3 | 118.5° | 119.7° |
C4 | C5 | H2 | 119.6° | 119.9° |
C1 | C2 | C3 | 119.6° | 119.9° |
C1 | C2 | H3 | 120.2° | 120.0° |
C12 | O10 | C9 | 116.8° | 117.0° |
O10 | C12 | H6 | 109.5° | 109.5° |
O10 | C12 | H7 | 109.5° | 109.4° |
O10 | C12 | H8 | 109.5° | 109.5° |
O10 | C9 | C4 | 111.1° | 120.0° |
O10 | C9 | O11 | 124.0° | 120.0° |
C9 | C4 | C3 | 120.9° | 120.1° |
C4 | C9 | O11 | 124.9° | 120.0° |
C4 | C3 | C2 | 120.7° | 119.7° |
C4 | C3 | O8 | 121.1° | 120.2° |
C2 | C3 | O8 | 118.2° | 120.1° |
C3 | C2 | H3 | 120.2° | 120.1° |
C3 | O8 | H5 | 109.5° | 114.0° |
H6 | C12 | H7 | 109.5° | 109.5° |
H6 | C12 | H8 | 109.5° | 109.5° |
H7 | C12 | H8 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C5 | C6 | C1 | H1 | 180.0° | 179.9° |
C5 | C6 | C1 | O7 | 177.8° | 179.7° |
C6 | C5 | C4 | H2 | 180.0° | 180.0° |
C5 | C6 | C1 | C2 | 1.5° | 0.1° |
C6 | C5 | C4 | C9 | 179.5° | 180.0° |
C6 | C5 | C4 | C3 | 1.4° | 0.1° |
C6 | C1 | O7 | C2 | 179.2° | 179.6° |
C1 | C6 | C5 | C4 | 0.2° | 0.0° |
C6 | C1 | C2 | C3 | 1.2° | 0.1° |
C1 | C6 | C5 | H2 | 179.8° | 179.9° |
C6 | C1 | C2 | H3 | 178.8° | 179.9° |
C6 | C1 | O7 | H4 | 180.0° | 89.7° |
O7 | C1 | C2 | C3 | 178.1° | 179.7° |
O7 | C1 | C6 | H1 | 2.3° | 0.4° |
O7 | C1 | C2 | H3 | 1.9° | 0.3° |
C5 | C4 | C9 | O10 | 1.9° | 0.0° |
C5 | C4 | C9 | C3 | 178.0° | 179.9° |
C5 | C4 | C3 | C2 | 1.7° | 0.1° |
C5 | C4 | C9 | O11 | 176.2° | 180.0° |
C5 | C4 | C3 | O8 | 176.5° | 180.0° |
C4 | C5 | C6 | H1 | 179.8° | 179.9° |
C1 | C2 | C3 | C4 | 0.5° | 0.0° |
C1 | C2 | C3 | H3 | 180.0° | 180.0° |
C1 | C2 | C3 | O8 | 177.8° | 180.0° |
C2 | C1 | C6 | H1 | 178.5° | 180.0° |
C2 | C1 | O7 | H4 | 0.8° | 89.9° |
C12 | O10 | C9 | C4 | 165.2° | 180.0° |
C12 | O10 | C9 | O11 | 12.9° | 0.0° |
O10 | C12 | H6 | H7 | 120.0° | 120.0° |
O10 | C12 | H6 | H8 | 120.0° | 120.0° |
O10 | C12 | H7 | H8 | 120.0° | 120.0° |
O10 | C9 | C4 | O11 | 178.1° | 180.0° |
O10 | C9 | C4 | C3 | 179.9° | 180.0° |
C9 | O10 | C12 | H6 | 180.0° | 60.0° |
C9 | O10 | C12 | H7 | 60.0° | 60.0° |
C9 | O10 | C12 | H8 | 60.0° | 180.0° |
C9 | C4 | C3 | C2 | 179.8° | 180.0° |
C9 | C4 | C3 | O8 | 1.6° | 0.0° |
C9 | C4 | C5 | H2 | 0.5° | 0.0° |
C4 | C3 | C2 | O8 | 178.3° | 179.9° |
C3 | C4 | C9 | O11 | 1.8° | 0.1° |
C3 | C4 | C5 | H2 | 178.6° | 180.0° |
C4 | C3 | C2 | H3 | 179.5° | 180.0° |
C4 | C3 | O8 | H5 | 0.7° | 89.9° |
C2 | C3 | O8 | H5 | 179.0° | 90.0° |
O8 | C3 | C2 | H3 | 2.2° | 0.0° |
H1 | C6 | C5 | H2 | 0.2° | 0.0° |
H6 | C12 | H7 | H8 | 120.0° | 120.0° |