HF0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C16 | sing | 1.43Å | 1.42Å | |
O4 | C3 | sing | 1.36Å | 1.37Å | |
C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
C2 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
O3 | C1 | sing | 1.36Å | 1.36Å | |
C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
C1 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
C6 | C9 | sing | 1.47Å | 1.44Å | |
O2 | C9 | doub | 1.21Å | 1.23Å | |
C5 | O1 | sing | 1.35Å | 1.37Å | |
C9 | C8 | sing | 1.52Å | 1.50Å | |
O1 | C7 | sing | 1.43Å | 1.45Å | |
C8 | C7 | sing | 1.54Å | 1.53Å | |
C8 | O5 | sing | 1.43Å | 1.43Å | |
C7 | C10 | sing | 1.51Å | 1.50Å | |
C10 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C15 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
C14 | O6 | sing | 1.36Å | 1.37Å | |
C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
C12 | O8 | sing | 1.36Å | 1.37Å | |
C13 | O7 | sing | 1.36Å | 1.37Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C7 | H2 | sing | 1.09Å | 1.10Å | |
C8 | H3 | sing | 1.09Å | 1.10Å | |
C15 | H4 | sing | 1.08Å | 1.08Å | |
C11 | H5 | sing | 1.08Å | 1.08Å | |
C16 | H6 | sing | 1.09Å | 1.10Å | |
C16 | H7 | sing | 1.09Å | 1.10Å | |
C16 | H8 | sing | 1.09Å | 1.10Å | |
C2 | H9 | sing | 1.08Å | 1.08Å | |
O3 | H10 | sing | 0.97Å | 0.95Å | |
O5 | H11 | sing | 0.97Å | 0.95Å | |
O6 | H12 | sing | 0.97Å | 0.95Å | |
O7 | H13 | sing | 0.97Å | 0.95Å | |
O8 | H14 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C16 | O4 | C3 | 117.6° | 117.0° |
O4 | C16 | H6 | 109.5° | 109.5° |
O4 | C16 | H7 | 109.5° | 109.5° |
O4 | C16 | H8 | 109.5° | 109.5° |
O4 | C3 | C2 | 116.5° | 119.7° |
O4 | C3 | C4 | 122.1° | 119.7° |
C3 | C2 | C1 | 119.4° | 120.1° |
C2 | C3 | C4 | 121.4° | 120.7° |
C3 | C2 | H9 | 120.3° | 120.0° |
C2 | C1 | O3 | 118.1° | 120.3° |
C2 | C1 | C6 | 121.1° | 119.5° |
C1 | C2 | H9 | 120.3° | 119.9° |
O3 | C1 | C6 | 120.7° | 120.2° |
C1 | O3 | H10 | 109.5° | 114.0° |
C3 | C4 | C5 | 118.7° | 120.2° |
C3 | C4 | H1 | 120.6° | 119.9° |
C1 | C6 | C5 | 117.3° | 120.2° |
C1 | C6 | C9 | 121.6° | 120.7° |
C4 | C5 | C6 | 122.0° | 119.3° |
C4 | C5 | O1 | 116.3° | 120.0° |
C5 | C4 | H1 | 120.7° | 119.9° |
C5 | C6 | C9 | 121.0° | 119.0° |
C6 | C5 | O1 | 121.7° | 120.7° |
C6 | C9 | O2 | 122.9° | 121.7° |
C6 | C9 | C8 | 115.6° | 116.6° |
O2 | C9 | C8 | 121.6° | 121.7° |
C5 | O1 | C7 | 116.1° | 118.7° |
C9 | C8 | C7 | 109.6° | 107.2° |
C9 | C8 | O5 | 109.9° | 109.9° |
C9 | C8 | H3 | 108.6° | 110.0° |
O1 | C7 | C8 | 110.7° | 109.4° |
O1 | C7 | C10 | 107.9° | 109.5° |
O1 | C7 | H2 | 109.2° | 109.5° |
C7 | C8 | O5 | 110.7° | 109.9° |
C8 | C7 | C10 | 112.3° | 109.5° |
C8 | C7 | H2 | 108.2° | 109.5° |
C7 | C8 | H3 | 108.3° | 109.9° |
O5 | C8 | H3 | 109.6° | 109.8° |
C8 | O5 | H11 | 109.5° | 114.0° |
C7 | C10 | C15 | 120.5° | 119.9° |
C7 | C10 | C11 | 120.5° | 119.9° |
C10 | C7 | H2 | 108.5° | 109.5° |
C15 | C10 | C11 | 119.0° | 120.2° |
C10 | C15 | C14 | 120.5° | 120.1° |
C10 | C15 | H4 | 119.7° | 119.9° |
C10 | C11 | C12 | 120.5° | 120.1° |
C10 | C11 | H5 | 119.8° | 120.0° |
C15 | C14 | O6 | 120.6° | 120.1° |
C15 | C14 | C13 | 120.4° | 119.9° |
C14 | C15 | H4 | 119.8° | 120.0° |
C11 | C12 | C13 | 120.5° | 119.9° |
C11 | C12 | O8 | 120.6° | 120.0° |
C12 | C11 | H5 | 119.8° | 119.9° |
O6 | C14 | C13 | 118.9° | 120.1° |
C14 | O6 | H12 | 109.5° | 114.0° |
C14 | C13 | C12 | 119.2° | 119.8° |
C14 | C13 | O7 | 120.4° | 120.0° |
C13 | C12 | O8 | 118.9° | 120.0° |
C12 | C13 | O7 | 120.4° | 120.1° |
C12 | O8 | H14 | 109.5° | 113.9° |
C13 | O7 | H13 | 109.5° | 114.0° |
H6 | C16 | H7 | 109.5° | 109.5° |
H6 | C16 | H8 | 109.5° | 109.5° |
H7 | C16 | H8 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C16 | O4 | C3 | C2 | 162.8° | 0.0° |
C16 | O4 | C3 | C4 | 17.8° | 179.4° |
O4 | C16 | H6 | H7 | 120.0° | 120.0° |
O4 | C16 | H6 | H8 | 120.0° | 120.1° |
O4 | C16 | H7 | H8 | 120.0° | 120.0° |
O4 | C3 | C2 | C4 | 179.4° | 179.4° |
O4 | C3 | C2 | C1 | 179.8° | 179.9° |
O4 | C3 | C4 | C5 | 179.3° | 179.9° |
O4 | C3 | C4 | H1 | 0.7° | 0.4° |
C3 | O4 | C16 | H6 | 180.0° | 60.0° |
C3 | O4 | C16 | H7 | 60.0° | 60.0° |
C3 | O4 | C16 | H8 | 60.0° | 180.0° |
O4 | C3 | C2 | H9 | 0.2° | 0.7° |
C3 | C2 | C1 | H9 | 180.0° | 179.4° |
C3 | C2 | C1 | O3 | 179.5° | 179.6° |
C3 | C2 | C1 | C6 | 1.0° | 0.4° |
C2 | C3 | C4 | C5 | 0.0° | 0.5° |
C2 | C3 | C4 | H1 | 179.9° | 179.8° |
C2 | C1 | O3 | C6 | 179.5° | 180.0° |
C1 | C2 | C3 | C4 | 0.8° | 0.5° |
C2 | C1 | C6 | C5 | 0.4° | 0.5° |
C2 | C1 | C6 | C9 | 179.6° | 179.5° |
C2 | C1 | O3 | H10 | 176.5° | 90.0° |
O3 | C1 | C6 | C5 | 179.9° | 179.5° |
O3 | C1 | C6 | C9 | 0.9° | 0.5° |
O3 | C1 | C2 | H9 | 0.5° | 0.2° |
C3 | C4 | C5 | H1 | 180.0° | 179.7° |
C3 | C4 | C5 | C6 | 0.7° | 0.6° |
C3 | C4 | C5 | O1 | 179.6° | 179.3° |
C4 | C3 | C2 | H9 | 179.2° | 179.9° |
C1 | C6 | C5 | C4 | 0.5° | 0.5° |
C1 | C6 | C5 | C9 | 179.2° | 179.9° |
C1 | C6 | C9 | O2 | 9.8° | 12.1° |
C1 | C6 | C5 | O1 | 179.4° | 179.3° |
C1 | C6 | C9 | C8 | 169.3° | 167.9° |
C6 | C1 | C2 | H9 | 179.0° | 179.8° |
C6 | C1 | O3 | H10 | 3.1° | 90.0° |
C4 | C5 | C6 | O1 | 178.9° | 179.9° |
C4 | C5 | C6 | C9 | 178.8° | 179.4° |
C4 | C5 | O1 | C7 | 160.4° | 157.7° |
C5 | C6 | C9 | O2 | 171.1° | 167.8° |
C5 | C6 | C9 | C8 | 9.9° | 12.2° |
C6 | C5 | O1 | C7 | 20.7° | 22.4° |
C6 | C5 | C4 | H1 | 179.3° | 179.7° |
C6 | C9 | O2 | C8 | 179.0° | 180.0° |
C9 | C6 | C5 | O1 | 0.1° | 0.7° |
C6 | C9 | C8 | C7 | 37.3° | 40.2° |
C6 | C9 | C8 | O5 | 159.2° | 159.6° |
C6 | C9 | C8 | H3 | 80.8° | 79.3° |
O2 | C9 | C8 | C7 | 143.6° | 139.8° |
O2 | C9 | C8 | O5 | 21.7° | 20.4° |
O2 | C9 | C8 | H3 | 98.3° | 100.7° |
C5 | O1 | C7 | C8 | 49.2° | 52.5° |
C5 | O1 | C7 | C10 | 172.4° | 172.5° |
O1 | C5 | C4 | H1 | 0.4° | 0.4° |
C5 | O1 | C7 | H2 | 69.8° | 67.5° |
C9 | C8 | C7 | O1 | 56.7° | 58.7° |
C9 | C8 | C7 | O5 | 121.4° | 119.4° |
C9 | C8 | C7 | H3 | 118.4° | 119.6° |
C9 | C8 | O5 | H3 | 119.3° | 121.2° |
C9 | C8 | C7 | C10 | 177.3° | 178.7° |
C9 | C8 | C7 | H2 | 62.9° | 61.3° |
C9 | C8 | O5 | H11 | 9.4° | 62.3° |
O1 | C7 | C8 | C10 | 120.6° | 119.9° |
O1 | C7 | C8 | H2 | 119.7° | 120.0° |
O1 | C7 | C8 | O5 | 178.1° | 178.1° |
O1 | C7 | C10 | H2 | 118.2° | 120.0° |
O1 | C7 | C10 | C15 | 29.0° | 140.1° |
O1 | C7 | C10 | C11 | 150.9° | 39.7° |
O1 | C7 | C8 | H3 | 61.7° | 60.9° |
C7 | C8 | O5 | H3 | 119.5° | 121.1° |
C8 | C7 | C10 | H2 | 119.5° | 120.1° |
C8 | C7 | C10 | C15 | 93.2° | 100.0° |
C8 | C7 | C10 | C11 | 86.8° | 80.2° |
C7 | C8 | O5 | H11 | 130.6° | 180.0° |
O5 | C8 | C7 | C10 | 61.3° | 61.9° |
O5 | C8 | C7 | H2 | 58.4° | 58.1° |
C7 | C10 | C15 | C11 | 179.9° | 179.7° |
C7 | C10 | C15 | C14 | 179.9° | 180.0° |
C7 | C10 | C11 | C12 | 180.0° | 180.0° |
C10 | C7 | C8 | H3 | 59.0° | 59.1° |
C7 | C10 | C15 | H4 | 0.1° | 0.0° |
C7 | C10 | C11 | H5 | 0.0° | 0.0° |
C10 | C15 | C14 | H4 | 180.0° | 180.0° |
C15 | C10 | C11 | C12 | 0.0° | 0.3° |
C10 | C15 | C14 | O6 | 180.0° | 180.0° |
C10 | C15 | C14 | C13 | 0.0° | 0.1° |
C15 | C10 | C7 | H2 | 147.3° | 20.1° |
C15 | C10 | C11 | H5 | 179.9° | 179.8° |
C11 | C10 | C15 | C14 | 0.0° | 0.2° |
C10 | C11 | C12 | H5 | 180.0° | 179.9° |
C10 | C11 | C12 | C13 | 0.0° | 0.1° |
C10 | C11 | C12 | O8 | 180.0° | 180.0° |
C11 | C10 | C7 | H2 | 32.7° | 159.7° |
C11 | C10 | C15 | H4 | 180.0° | 179.7° |
C15 | C14 | O6 | C13 | 179.9° | 180.0° |
C15 | C14 | C13 | C12 | 0.1° | 0.3° |
C15 | C14 | C13 | O7 | 180.0° | 180.0° |
C15 | C14 | O6 | H12 | 180.0° | 90.1° |
C11 | C12 | C13 | C14 | 0.0° | 0.2° |
C11 | C12 | C13 | O8 | 180.0° | 180.0° |
C11 | C12 | C13 | O7 | 180.0° | 180.0° |
C11 | C12 | O8 | H14 | 180.0° | 90.1° |
O6 | C14 | C13 | C12 | 180.0° | 179.7° |
O6 | C14 | C13 | O7 | 0.0° | 0.0° |
O6 | C14 | C15 | H4 | 0.0° | 0.0° |
C14 | C13 | C12 | O7 | 180.0° | 179.8° |
C14 | C13 | C12 | O8 | 180.0° | 179.7° |
C13 | C14 | C15 | H4 | 179.9° | 180.0° |
C13 | C14 | O6 | H12 | 0.0° | 90.0° |
C14 | C13 | O7 | H13 | 180.0° | 90.3° |
C13 | C12 | C11 | H5 | 180.0° | 180.0° |
C12 | C13 | O7 | H13 | 0.0° | 89.9° |
C13 | C12 | O8 | H14 | 0.0° | 90.0° |
O8 | C12 | C13 | O7 | 0.0° | 0.0° |
O8 | C12 | C11 | H5 | 0.1° | 0.1° |
H2 | C7 | C8 | H3 | 178.7° | 179.1° |
H3 | C8 | O5 | H11 | 110.0° | 58.9° |
H6 | C16 | H7 | H8 | 120.0° | 119.9° |