V5I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.41Å | |
| C2 | C1 | doub | 1.38Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.35Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C10 | C8 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.48Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.49Å | |
| C8 | N | sing | 1.47Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.49Å | |
| C4 | C5 | sing | 1.38Å | 1.36Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| N | H10 | sing | 1.01Å | 1.00Å | |
| N | H11 | sing | 1.01Å | 1.00Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 115.1° | 120.0° |
| C | C1 | C6 | 124.4° | 120.0° |
| C1 | C | H16 | 109.5° | 109.5° |
| C1 | C | H17 | 109.5° | 109.5° |
| C1 | C | H18 | 109.5° | 109.5° |
| C1 | C2 | C3 | 122.3° | 120.1° |
| C2 | C1 | C6 | 120.5° | 120.0° |
| C1 | C2 | H9 | 118.8° | 120.0° |
| C2 | C3 | C4 | 118.2° | 119.9° |
| C2 | C3 | H8 | 120.9° | 120.0° |
| C3 | C2 | H9 | 118.8° | 120.0° |
| C1 | C6 | C7 | 122.2° | 120.0° |
| C1 | C6 | C5 | 118.0° | 120.0° |
| C10 | C8 | C7 | 109.5° | 109.5° |
| C10 | C8 | N | 107.6° | 109.4° |
| C10 | C8 | C9 | 113.2° | 109.5° |
| C8 | C10 | H13 | 109.5° | 109.4° |
| C8 | C10 | H14 | 109.5° | 109.5° |
| C8 | C10 | H15 | 109.5° | 109.5° |
| C3 | C4 | C5 | 120.3° | 120.0° |
| C3 | C4 | H7 | 119.8° | 120.0° |
| C4 | C3 | H8 | 120.9° | 120.0° |
| C7 | C6 | C5 | 119.7° | 120.0° |
| C6 | C7 | C8 | 113.9° | 109.5° |
| C6 | C7 | H1 | 108.4° | 109.5° |
| C6 | C7 | H2 | 108.4° | 109.5° |
| C6 | C5 | C4 | 120.6° | 120.0° |
| C6 | C5 | H6 | 119.7° | 120.0° |
| C7 | C8 | N | 108.9° | 109.5° |
| C7 | C8 | C9 | 113.8° | 109.5° |
| C8 | C7 | H1 | 108.4° | 109.5° |
| C8 | C7 | H2 | 108.3° | 109.5° |
| N | C8 | C9 | 103.4° | 109.4° |
| C8 | N | H10 | 109.5° | 111.0° |
| C8 | N | H11 | 109.4° | 110.9° |
| C8 | C9 | H3 | 109.5° | 109.4° |
| C8 | C9 | H4 | 109.5° | 109.5° |
| C8 | C9 | H5 | 109.5° | 109.4° |
| C4 | C5 | H6 | 119.7° | 120.0° |
| C5 | C4 | H7 | 119.8° | 120.0° |
| H1 | C7 | H2 | 109.5° | 109.4° |
| H3 | C9 | H4 | 109.4° | 109.5° |
| H3 | C9 | H5 | 109.5° | 109.5° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H10 | N | H11 | 109.5° | 111.0° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H13 | C10 | H15 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H16 | C | H17 | 109.5° | 109.4° |
| H16 | C | H18 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C6 | 178.2° | 179.8° |
| C | C1 | C2 | C3 | 178.1° | 179.7° |
| C | C1 | C6 | C7 | 4.1° | 0.3° |
| C | C1 | C6 | C5 | 179.7° | 179.7° |
| C | C1 | C2 | H9 | 1.9° | 0.3° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H18 | 120.0° | 120.0° |
| C1 | C | H17 | H18 | 120.0° | 120.0° |
| C1 | C2 | C3 | H9 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.9° | 0.0° |
| C2 | C1 | C6 | C7 | 174.0° | 180.0° |
| C2 | C1 | C6 | C5 | 1.6° | 0.0° |
| C1 | C2 | C3 | H8 | 178.1° | 179.9° |
| C2 | C1 | C | H16 | 90.7° | 93.1° |
| C2 | C1 | C | H17 | 149.3° | 26.9° |
| C2 | C1 | C | H18 | 29.2° | 146.9° |
| C3 | C2 | C1 | C6 | 0.2° | 0.0° |
| C2 | C3 | C4 | H8 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.9° | 0.0° |
| C2 | C3 | C4 | H7 | 178.1° | 179.9° |
| C1 | C6 | C7 | C5 | 175.6° | 180.0° |
| C1 | C6 | C7 | C8 | 98.9° | 90.5° |
| C1 | C6 | C5 | C4 | 1.6° | 0.0° |
| C1 | C6 | C7 | H1 | 140.4° | 149.4° |
| C1 | C6 | C7 | H2 | 21.7° | 29.5° |
| C1 | C6 | C5 | H6 | 178.3° | 180.0° |
| C6 | C1 | C2 | H9 | 179.8° | 180.0° |
| C6 | C1 | C | H16 | 91.1° | 87.2° |
| C6 | C1 | C | H17 | 28.9° | 152.9° |
| C6 | C1 | C | H18 | 148.9° | 32.9° |
| C10 | C8 | C7 | C6 | 60.9° | 63.9° |
| C10 | C8 | C7 | N | 117.4° | 120.0° |
| C10 | C8 | C7 | C9 | 127.9° | 120.0° |
| C10 | C8 | N | C9 | 120.1° | 119.9° |
| C10 | C8 | C7 | H1 | 178.4° | 176.0° |
| C10 | C8 | C7 | H2 | 59.7° | 56.1° |
| C10 | C8 | C9 | H3 | 180.0° | 179.9° |
| C10 | C8 | C9 | H4 | 60.0° | 59.9° |
| C10 | C8 | C9 | H5 | 60.0° | 60.1° |
| C10 | C8 | N | H10 | 180.0° | 172.7° |
| C10 | C8 | N | H11 | 60.0° | 48.8° |
| C8 | C10 | H13 | H14 | 120.0° | 120.0° |
| C8 | C10 | H13 | H15 | 120.0° | 119.9° |
| C8 | C10 | H14 | H15 | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H7 | 180.0° | 179.9° |
| C3 | C4 | C5 | H6 | 179.9° | 180.0° |
| C4 | C3 | C2 | H9 | 178.0° | 180.0° |
| C6 | C7 | C8 | H1 | 120.7° | 120.1° |
| C6 | C7 | C8 | H2 | 120.7° | 120.0° |
| C6 | C7 | C8 | N | 178.4° | 56.1° |
| C6 | C7 | C8 | C9 | 66.9° | 176.1° |
| C7 | C6 | C5 | C4 | 174.1° | 180.0° |
| C6 | C7 | H1 | H2 | 118.0° | 120.0° |
| C7 | C6 | C5 | H6 | 5.9° | 0.0° |
| C5 | C6 | C7 | C8 | 85.5° | 89.5° |
| C6 | C5 | C4 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | H1 | 35.1° | 30.6° |
| C5 | C6 | C7 | H2 | 153.8° | 150.5° |
| C6 | C5 | C4 | H7 | 179.8° | 180.0° |
| C7 | C8 | N | C9 | 121.3° | 120.0° |
| C8 | C7 | H1 | H2 | 118.0° | 119.9° |
| C7 | C8 | C9 | H3 | 54.1° | 60.0° |
| C7 | C8 | C9 | H4 | 174.1° | 180.0° |
| C7 | C8 | C9 | H5 | 65.9° | 60.0° |
| C7 | C8 | N | H10 | 61.4° | 52.7° |
| C7 | C8 | N | H11 | 58.6° | 71.2° |
| C7 | C8 | C10 | H13 | 180.0° | 60.0° |
| C7 | C8 | C10 | H14 | 60.0° | 180.0° |
| C7 | C8 | C10 | H15 | 60.0° | 59.9° |
| N | C8 | C7 | H1 | 61.0° | 64.0° |
| N | C8 | C7 | H2 | 57.7° | 176.1° |
| N | C8 | C9 | H3 | 63.9° | 60.0° |
| N | C8 | C9 | H4 | 56.1° | 60.0° |
| N | C8 | C9 | H5 | 176.1° | 180.0° |
| C8 | N | H10 | H11 | 120.0° | 123.9° |
| N | C8 | C10 | H13 | 61.7° | 180.0° |
| N | C8 | C10 | H14 | 58.3° | 60.0° |
| N | C8 | C10 | H15 | 178.3° | 60.1° |
| C9 | C8 | C7 | H1 | 53.7° | 56.0° |
| C9 | C8 | C7 | H2 | 172.4° | 63.9° |
| C8 | C9 | H3 | H4 | 120.0° | 120.0° |
| C8 | C9 | H3 | H5 | 120.0° | 119.9° |
| C8 | C9 | H4 | H5 | 120.0° | 120.0° |
| C9 | C8 | N | H10 | 59.9° | 67.3° |
| C9 | C8 | N | H11 | 179.9° | 168.8° |
| C9 | C8 | C10 | H13 | 51.8° | 60.0° |
| C9 | C8 | C10 | H14 | 171.8° | 59.9° |
| C9 | C8 | C10 | H15 | 68.2° | 180.0° |
| C5 | C4 | C3 | H8 | 178.1° | 179.9° |
| H3 | C9 | H4 | H5 | 120.0° | 120.1° |
| H6 | C5 | C4 | H7 | 0.1° | 0.1° |
| H7 | C4 | C3 | H8 | 1.9° | 0.0° |
| H8 | C3 | C2 | H9 | 2.0° | 0.1° |
| H13 | C10 | H14 | H15 | 120.0° | 120.0° |
| H16 | C | H17 | H18 | 120.0° | 120.0° |
