P4H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C5 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | O3 | sing | 1.36Å | 1.36Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.50Å | |
| O4 | C11 | sing | 1.36Å | 1.37Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C1 | sing | 1.47Å | 1.52Å | |
| C8 | C13 | doub | 1.41Å | 1.41Å | Aromatic |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | O5 | sing | 1.36Å | 1.38Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| O5 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C5 | C4 | 126.8° | 119.9° |
| O2 | C5 | C6 | 113.3° | 119.9° |
| C5 | O2 | H3 | 109.5° | 114.0° |
| C5 | C4 | C3 | 119.6° | 120.1° |
| C4 | C5 | C6 | 119.9° | 120.2° |
| C5 | C4 | H2 | 120.2° | 119.9° |
| C4 | C3 | C2 | 121.8° | 120.0° |
| C4 | C3 | H1 | 119.1° | 119.9° |
| C3 | C4 | H2 | 120.2° | 120.0° |
| C5 | C6 | O3 | 114.4° | 120.1° |
| C5 | C6 | C7 | 120.8° | 120.0° |
| C3 | C2 | C7 | 117.9° | 119.9° |
| C3 | C2 | C1 | 125.0° | 120.1° |
| C2 | C3 | H1 | 119.1° | 120.0° |
| O3 | C6 | C7 | 124.8° | 119.9° |
| C6 | O3 | H4 | 109.5° | 114.0° |
| C6 | C7 | C2 | 120.1° | 119.8° |
| C6 | C7 | H5 | 119.9° | 120.1° |
| C9 | C10 | C11 | 120.0° | 120.4° |
| C10 | C9 | C8 | 123.1° | 120.1° |
| C10 | C9 | H6 | 118.4° | 120.0° |
| C9 | C10 | H7 | 120.0° | 119.8° |
| C10 | C11 | O4 | 114.8° | 119.8° |
| C10 | C11 | C12 | 119.2° | 120.3° |
| C11 | C10 | H7 | 120.0° | 119.8° |
| C9 | C8 | C1 | 124.3° | 120.2° |
| C9 | C8 | C13 | 116.4° | 119.7° |
| C8 | C9 | H6 | 118.4° | 119.9° |
| C7 | C2 | C1 | 117.1° | 120.1° |
| C2 | C7 | H5 | 119.9° | 120.1° |
| C2 | C1 | C8 | 122.7° | 120.0° |
| C2 | C1 | O1 | 118.1° | 120.0° |
| O4 | C11 | C12 | 126.0° | 119.9° |
| C11 | O4 | H8 | 109.5° | 114.1° |
| C11 | C12 | C13 | 120.2° | 119.9° |
| C11 | C12 | H9 | 119.9° | 120.0° |
| C1 | C8 | C13 | 119.3° | 120.1° |
| C8 | C1 | O1 | 119.0° | 119.9° |
| C8 | C13 | C12 | 121.0° | 119.6° |
| C8 | C13 | O5 | 117.0° | 120.2° |
| C12 | C13 | O5 | 121.9° | 120.2° |
| C13 | C12 | H9 | 119.9° | 120.1° |
| C13 | O5 | H10 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C5 | C4 | C6 | 178.8° | 180.0° |
| O2 | C5 | C4 | C3 | 178.9° | 180.0° |
| O2 | C5 | C6 | O3 | 1.1° | 0.0° |
| O2 | C5 | C6 | C7 | 179.1° | 180.0° |
| O2 | C5 | C4 | H2 | 1.1° | 0.0° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C6 | O3 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C5 | C4 | C3 | H1 | 179.9° | 180.0° |
| C4 | C5 | O2 | H3 | 180.0° | 90.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 0.0° | 0.1° |
| C4 | C3 | C2 | C1 | 178.5° | 179.7° |
| C5 | C6 | O3 | C7 | 179.9° | 180.0° |
| C5 | C6 | C7 | C2 | 0.1° | 0.0° |
| C6 | C5 | C4 | H2 | 179.9° | 180.0° |
| C6 | C5 | O2 | H3 | 1.1° | 90.0° |
| C5 | C6 | O3 | H4 | 180.0° | 89.9° |
| C5 | C6 | C7 | H5 | 179.9° | 179.7° |
| C3 | C2 | C7 | C6 | 0.0° | 0.0° |
| C3 | C2 | C7 | C1 | 178.7° | 179.8° |
| C3 | C2 | C1 | C8 | 17.7° | 174.0° |
| C3 | C2 | C1 | O1 | 159.2° | 5.6° |
| C2 | C3 | C4 | H2 | 179.9° | 180.0° |
| C3 | C2 | C7 | H5 | 180.0° | 179.7° |
| O3 | C6 | C7 | C2 | 179.9° | 180.0° |
| O3 | C6 | C7 | H5 | 0.1° | 0.3° |
| C6 | C7 | C2 | H5 | 180.0° | 179.7° |
| C6 | C7 | C2 | C1 | 178.7° | 179.8° |
| C7 | C6 | O3 | H4 | 0.1° | 90.1° |
| C9 | C10 | C11 | H7 | 180.0° | 180.0° |
| C10 | C9 | C8 | H6 | 180.0° | 179.9° |
| C9 | C10 | C11 | O4 | 179.4° | 180.0° |
| C9 | C10 | C11 | C12 | 1.6° | 0.0° |
| C10 | C9 | C8 | C1 | 179.9° | 180.0° |
| C10 | C9 | C8 | C13 | 0.1° | 0.3° |
| C11 | C10 | C9 | C8 | 1.5° | 0.1° |
| C10 | C11 | O4 | C12 | 178.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.3° |
| C11 | C10 | C9 | H6 | 178.5° | 180.0° |
| C10 | C11 | O4 | H8 | 180.0° | 90.0° |
| C10 | C11 | C12 | H9 | 179.9° | 180.0° |
| C9 | C8 | C1 | C2 | 21.2° | 104.6° |
| C9 | C8 | C1 | C13 | 179.8° | 179.6° |
| C9 | C8 | C1 | O1 | 162.0° | 75.8° |
| C9 | C8 | C13 | C12 | 1.5° | 0.6° |
| C9 | C8 | C13 | O5 | 178.7° | 179.7° |
| C8 | C9 | C10 | H7 | 178.5° | 180.0° |
| C7 | C2 | C1 | C8 | 163.8° | 5.8° |
| C7 | C2 | C1 | O1 | 19.4° | 174.6° |
| C7 | C2 | C3 | H1 | 180.0° | 179.9° |
| C2 | C1 | C8 | O1 | 176.8° | 179.7° |
| C2 | C1 | C8 | C13 | 158.6° | 75.1° |
| C1 | C2 | C3 | H1 | 1.5° | 0.2° |
| C1 | C2 | C7 | H5 | 1.3° | 0.1° |
| O4 | C11 | C12 | C13 | 179.0° | 179.7° |
| O4 | C11 | C10 | H7 | 0.6° | 0.0° |
| O4 | C11 | C12 | H9 | 1.0° | 0.0° |
| C11 | C12 | C13 | C8 | 1.4° | 0.6° |
| C11 | C12 | C13 | H9 | 180.0° | 179.7° |
| C11 | C12 | C13 | O5 | 178.9° | 179.7° |
| C12 | C11 | C10 | H7 | 178.4° | 180.0° |
| C12 | C11 | O4 | H8 | 1.1° | 90.0° |
| C1 | C8 | C13 | C12 | 178.6° | 179.8° |
| C1 | C8 | C13 | O5 | 1.1° | 0.1° |
| C1 | C8 | C9 | H6 | 0.1° | 0.1° |
| C13 | C8 | C1 | O1 | 18.2° | 104.6° |
| C8 | C13 | C12 | O5 | 179.7° | 179.7° |
| C13 | C8 | C9 | H6 | 179.9° | 179.8° |
| C8 | C13 | C12 | H9 | 178.5° | 179.7° |
| C8 | C13 | O5 | H10 | 8.8° | 90.1° |
| C12 | C13 | O5 | H10 | 170.9° | 89.6° |
| O5 | C13 | C12 | H9 | 1.2° | 0.0° |
| H1 | C3 | C4 | H2 | 0.1° | 0.0° |
| H6 | C9 | C10 | H7 | 1.5° | 0.0° |
