V5O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.55Å | 1.50Å | |
| C11 | C12 | sing | 1.51Å | 1.49Å | |
| C10 | C9 | sing | 1.54Å | 1.52Å | |
| C9 | N | sing | 1.47Å | 1.44Å | |
| C12 | O2 | doub | 1.21Å | 1.13Å | |
| C12 | N | sing | 1.34Å | 1.35Å | |
| N | C2 | sing | 1.39Å | 1.39Å | |
| C3 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C1 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C | sing | 1.40Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | doub | 1.35Å | 1.30Å | |
| C7 | C8 | sing | 1.42Å | 1.53Å | |
| O | C8 | doub | 1.22Å | 1.19Å | |
| C8 | O1 | sing | 1.35Å | 1.21Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 102.6° | 104.2° |
| C11 | C10 | C9 | 105.7° | 101.7° |
| C10 | C11 | H9 | 111.2° | 110.5° |
| C10 | C11 | H10 | 111.2° | 110.5° |
| C11 | C10 | H11 | 110.4° | 110.9° |
| C11 | C10 | H12 | 110.4° | 111.0° |
| C11 | C12 | O2 | 123.4° | 125.0° |
| C11 | C12 | N | 110.9° | 110.1° |
| C12 | C11 | H9 | 111.2° | 110.5° |
| C12 | C11 | H10 | 111.2° | 110.5° |
| C10 | C9 | N | 104.3° | 105.5° |
| C10 | C9 | H2 | 110.7° | 110.2° |
| C10 | C9 | H3 | 110.8° | 110.4° |
| C9 | C10 | H11 | 110.4° | 111.0° |
| C9 | C10 | H12 | 110.4° | 111.1° |
| C9 | N | C12 | 111.2° | 111.3° |
| C9 | N | C2 | 121.7° | 124.4° |
| N | C9 | H2 | 110.8° | 110.2° |
| N | C9 | H3 | 110.8° | 110.3° |
| O2 | C12 | N | 125.7° | 124.9° |
| C12 | N | C2 | 127.1° | 124.4° |
| N | C2 | C3 | 121.4° | 119.9° |
| N | C2 | C1 | 119.1° | 119.9° |
| C2 | C3 | C4 | 120.1° | 120.1° |
| C3 | C2 | C1 | 119.5° | 120.2° |
| C2 | C3 | H8 | 119.9° | 119.9° |
| C3 | C4 | C5 | 121.1° | 119.9° |
| C3 | C4 | H7 | 119.4° | 120.0° |
| C4 | C3 | H8 | 120.0° | 120.0° |
| C2 | C1 | C | 119.1° | 120.1° |
| C2 | C1 | H5 | 120.5° | 120.0° |
| C4 | C5 | C | 117.8° | 119.8° |
| C4 | C5 | C6 | 123.7° | 120.1° |
| C5 | C4 | H7 | 119.4° | 120.0° |
| C1 | C | C5 | 122.4° | 119.9° |
| C | C1 | H5 | 120.5° | 119.9° |
| C1 | C | H13 | 118.8° | 120.0° |
| C | C5 | C6 | 118.5° | 120.1° |
| C5 | C | H13 | 118.8° | 120.1° |
| C5 | C6 | C7 | 125.0° | 120.0° |
| C5 | C6 | H6 | 117.5° | 120.0° |
| C6 | C7 | C8 | 124.2° | 120.0° |
| C6 | C7 | H1 | 117.9° | 120.0° |
| C7 | C6 | H6 | 117.5° | 120.0° |
| C7 | C8 | O | 117.4° | 120.0° |
| C7 | C8 | O1 | 117.4° | 120.0° |
| C8 | C7 | H1 | 117.9° | 120.0° |
| O | C8 | O1 | 125.1° | 120.0° |
| C8 | O1 | H4 | 109.5° | 114.0° |
| H2 | C9 | H3 | 109.5° | 110.2° |
| H9 | C11 | H10 | 109.4° | 110.5° |
| H11 | C10 | H12 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H9 | 118.9° | 118.7° |
| C10 | C11 | C12 | H10 | 118.9° | 118.7° |
| C11 | C10 | C9 | H11 | 119.4° | 118.0° |
| C11 | C10 | C9 | H12 | 119.4° | 118.2° |
| C11 | C10 | C9 | N | 22.2° | 25.5° |
| C10 | C11 | C12 | O2 | 164.4° | 163.8° |
| C10 | C11 | C12 | N | 14.6° | 16.2° |
| C11 | C10 | C9 | H2 | 141.3° | 144.4° |
| C11 | C10 | C9 | H3 | 97.0° | 93.6° |
| C10 | C11 | H9 | H10 | 123.2° | 122.6° |
| C11 | C10 | H11 | H12 | 121.8° | 123.8° |
| C12 | C11 | C10 | C9 | 22.0° | 24.8° |
| C11 | C12 | N | C9 | 0.7° | 0.5° |
| C11 | C12 | O2 | N | 178.9° | 180.0° |
| C11 | C12 | N | C2 | 179.9° | 179.6° |
| C12 | C11 | H9 | H10 | 123.2° | 122.6° |
| C12 | C11 | C10 | H11 | 97.4° | 142.9° |
| C12 | C11 | C10 | H12 | 141.4° | 93.4° |
| C10 | C9 | N | H2 | 119.1° | 119.0° |
| C10 | C9 | N | H3 | 119.2° | 119.2° |
| C10 | C9 | N | C12 | 13.5° | 17.1° |
| C10 | C9 | N | C2 | 165.8° | 163.0° |
| C10 | C9 | H2 | H3 | 122.4° | 122.1° |
| C9 | C10 | C11 | H9 | 96.9° | 143.6° |
| C9 | C10 | C11 | H10 | 140.9° | 93.8° |
| C9 | C10 | H11 | H12 | 121.7° | 123.9° |
| C9 | N | C12 | O2 | 178.4° | 179.5° |
| C9 | N | C12 | C2 | 179.3° | 179.9° |
| C9 | N | C2 | C3 | 34.4° | 5.8° |
| C9 | N | C2 | C1 | 145.6° | 174.2° |
| N | C9 | H2 | H3 | 122.4° | 121.9° |
| N | C9 | C10 | H11 | 97.3° | 143.5° |
| N | C9 | C10 | H12 | 141.5° | 92.7° |
| O2 | C12 | N | C2 | 0.9° | 0.4° |
| O2 | C12 | C11 | H9 | 76.7° | 45.0° |
| O2 | C12 | C11 | H10 | 45.5° | 77.6° |
| C12 | N | C2 | C3 | 146.4° | 174.3° |
| C12 | N | C2 | C1 | 33.6° | 5.7° |
| C12 | N | C9 | H2 | 132.7° | 136.1° |
| C12 | N | C9 | H3 | 105.7° | 102.1° |
| N | C12 | C11 | H9 | 104.3° | 134.9° |
| N | C12 | C11 | H10 | 133.5° | 102.5° |
| N | C2 | C3 | C1 | 180.0° | 180.0° |
| N | C2 | C3 | C4 | 179.5° | 179.4° |
| N | C2 | C1 | C | 179.4° | 179.9° |
| C2 | N | C9 | H2 | 46.6° | 44.0° |
| C2 | N | C9 | H3 | 75.0° | 77.8° |
| N | C2 | C1 | H5 | 0.5° | 0.2° |
| N | C2 | C3 | H8 | 0.5° | 0.0° |
| C2 | C3 | C4 | H8 | 180.0° | 179.4° |
| C2 | C3 | C4 | C5 | 0.1° | 0.8° |
| C3 | C2 | C1 | C | 0.5° | 0.1° |
| C3 | C2 | C1 | H5 | 179.5° | 179.8° |
| C2 | C3 | C4 | H7 | 179.9° | 179.7° |
| C4 | C3 | C2 | C1 | 0.5° | 0.6° |
| C3 | C4 | C5 | H7 | 180.0° | 179.5° |
| C3 | C4 | C5 | C | 0.4° | 0.5° |
| C3 | C4 | C5 | C6 | 179.4° | 179.4° |
| C2 | C1 | C | H5 | 180.0° | 179.8° |
| C2 | C1 | C | C5 | 0.1° | 0.2° |
| C1 | C2 | C3 | H8 | 179.5° | 180.0° |
| C2 | C1 | C | H13 | 179.9° | 179.7° |
| C4 | C5 | C | C1 | 0.3° | 0.0° |
| C4 | C5 | C | C6 | 179.1° | 180.0° |
| C4 | C5 | C6 | C7 | 10.0° | 0.0° |
| C4 | C5 | C6 | H6 | 170.0° | 180.0° |
| C5 | C4 | C3 | H8 | 180.0° | 179.8° |
| C4 | C5 | C | H13 | 179.7° | 179.9° |
| C1 | C | C5 | H13 | 180.0° | 179.9° |
| C1 | C | C5 | C6 | 179.4° | 179.9° |
| C | C5 | C6 | C7 | 171.0° | 180.0° |
| C5 | C | C1 | H5 | 179.9° | 180.0° |
| C | C5 | C6 | H6 | 9.1° | 0.0° |
| C | C5 | C4 | H7 | 179.7° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 179.6° | 179.9° |
| C5 | C6 | C7 | H1 | 0.4° | 0.3° |
| C6 | C5 | C4 | H7 | 0.6° | 0.1° |
| C6 | C5 | C | H13 | 0.6° | 0.0° |
| C6 | C7 | C8 | H1 | 180.0° | 179.8° |
| C6 | C7 | C8 | O | 165.1° | 0.2° |
| C6 | C7 | C8 | O1 | 14.6° | 179.7° |
| C7 | C8 | O | O1 | 179.6° | 179.9° |
| C7 | C8 | O1 | H4 | 179.6° | 180.0° |
| C8 | C7 | C6 | H6 | 0.4° | 0.0° |
| O | C8 | C7 | H1 | 14.9° | 180.0° |
| O | C8 | O1 | H4 | 0.0° | 0.1° |
| O1 | C8 | C7 | H1 | 165.4° | 0.1° |
| H1 | C7 | C6 | H6 | 179.6° | 179.8° |
| H2 | C9 | C10 | H11 | 21.9° | 97.5° |
| H2 | C9 | C10 | H12 | 99.3° | 26.3° |
| H3 | C9 | C10 | H11 | 143.6° | 24.4° |
| H3 | C9 | C10 | H12 | 22.4° | 148.2° |
| H5 | C1 | C | H13 | 0.1° | 0.1° |
| H7 | C4 | C3 | H8 | 0.1° | 0.3° |
| H9 | C11 | C10 | H11 | 143.7° | 98.4° |
| H9 | C11 | C10 | H12 | 22.5° | 25.3° |
| H10 | C11 | C10 | H11 | 21.5° | 24.2° |
| H10 | C11 | C10 | H12 | 99.7° | 147.9° |
