3V4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C7 | sing | 1.53Å | 1.54Å | |
| C10 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | sing | 1.53Å | 1.56Å | |
| C7 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.54Å | 1.54Å | |
| C6 | C1 | sing | 1.54Å | 1.55Å | |
| C5 | C4 | sing | 1.54Å | 1.54Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C4 | C3 | sing | 1.51Å | 1.54Å | |
| C3 | C2 | doub | 1.31Å | 1.50Å | |
| C2 | C8 | sing | 1.51Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C7 | C10 | 115.6° | 115.5° |
| C9 | C7 | C6 | 120.8° | 117.5° |
| C9 | C7 | C5 | 109.2° | 117.4° |
| C7 | C9 | H4 | 109.5° | 109.5° |
| C7 | C9 | H5 | 109.5° | 109.5° |
| C7 | C9 | H6 | 109.4° | 109.5° |
| C10 | C7 | C6 | 118.1° | 117.4° |
| C10 | C7 | C5 | 121.3° | 117.4° |
| C7 | C10 | H1 | 109.5° | 109.5° |
| C7 | C10 | H2 | 109.4° | 109.5° |
| C7 | C10 | H3 | 109.5° | 109.5° |
| C6 | C7 | C5 | 59.8° | 60.4° |
| C7 | C6 | C5 | 59.4° | 59.8° |
| C7 | C6 | C1 | 117.7° | 117.1° |
| C7 | C6 | H7 | 117.5° | 118.2° |
| C7 | C5 | C6 | 60.8° | 59.8° |
| C7 | C5 | C4 | 113.8° | 117.1° |
| C7 | C5 | H10 | 116.8° | 118.2° |
| C5 | C6 | C1 | 113.6° | 115.0° |
| C6 | C5 | C4 | 119.8° | 115.0° |
| C5 | C6 | H7 | 117.8° | 118.3° |
| C6 | C5 | H10 | 116.7° | 118.3° |
| C6 | C1 | C2 | 114.9° | 108.6° |
| C1 | C6 | H7 | 117.7° | 116.5° |
| C6 | C1 | H8 | 108.1° | 109.6° |
| C6 | C1 | H9 | 108.1° | 109.6° |
| C5 | C4 | C3 | 118.8° | 108.5° |
| C4 | C5 | H10 | 116.7° | 116.4° |
| C5 | C4 | H11 | 107.1° | 109.6° |
| C5 | C4 | H12 | 107.1° | 109.6° |
| C1 | C2 | C3 | 109.1° | 120.5° |
| C1 | C2 | C8 | 117.2° | 119.8° |
| C2 | C1 | H8 | 108.1° | 109.7° |
| C2 | C1 | H9 | 108.1° | 109.7° |
| C4 | C3 | C2 | 111.5° | 120.4° |
| C3 | C4 | H11 | 107.1° | 109.6° |
| C3 | C4 | H12 | 107.1° | 109.6° |
| C4 | C3 | H13 | 124.3° | 119.7° |
| C3 | C2 | C8 | 107.9° | 119.7° |
| C2 | C3 | H13 | 124.2° | 119.8° |
| C2 | C8 | H16 | 109.5° | 109.5° |
| C2 | C8 | H17 | 109.4° | 109.5° |
| C2 | C8 | H18 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.4° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H4 | C9 | H6 | 109.5° | 109.5° |
| H5 | C9 | H6 | 109.5° | 109.4° |
| H8 | C1 | H9 | 109.4° | 109.7° |
| H11 | C4 | H12 | 109.5° | 109.8° |
| H16 | C8 | H17 | 109.5° | 109.5° |
| H16 | C8 | H18 | 109.5° | 109.4° |
| H17 | C8 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C7 | C10 | C6 | 154.1° | 145.5° |
| C9 | C7 | C10 | C5 | 136.0° | 145.4° |
| C9 | C7 | C6 | C5 | 95.5° | 107.6° |
| C9 | C7 | C6 | C1 | 162.0° | 147.9° |
| C9 | C7 | C5 | C4 | 132.8° | 147.8° |
| C9 | C7 | C10 | H1 | 180.0° | 163.9° |
| C9 | C7 | C10 | H2 | 60.0° | 43.8° |
| C9 | C7 | C10 | H3 | 60.0° | 76.2° |
| C7 | C9 | H4 | H5 | 120.0° | 120.1° |
| C7 | C9 | H4 | H6 | 120.0° | 120.0° |
| C7 | C9 | H5 | H6 | 120.0° | 120.0° |
| C9 | C7 | C6 | H7 | 12.1° | 0.4° |
| C9 | C7 | C5 | H10 | 8.0° | 0.4° |
| C10 | C7 | C6 | C5 | 111.8° | 107.6° |
| C10 | C7 | C6 | C1 | 9.3° | 3.1° |
| C10 | C7 | C5 | C4 | 5.6° | 3.0° |
| C7 | C10 | H1 | H2 | 120.0° | 120.1° |
| C7 | C10 | H1 | H3 | 120.0° | 120.0° |
| C7 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C7 | C9 | H4 | 180.0° | 34.4° |
| C10 | C7 | C9 | H5 | 60.0° | 154.4° |
| C10 | C7 | C9 | H6 | 60.0° | 85.6° |
| C10 | C7 | C6 | H7 | 140.6° | 144.4° |
| C10 | C7 | C5 | H10 | 146.4° | 144.3° |
| C7 | C6 | C5 | C1 | 109.3° | 108.1° |
| C7 | C6 | C5 | H7 | 107.2° | 107.9° |
| C7 | C6 | C1 | H7 | 149.8° | 148.0° |
| C6 | C7 | C5 | C4 | 112.1° | 104.6° |
| C7 | C6 | C1 | C2 | 95.0° | 109.1° |
| C6 | C7 | C10 | H1 | 25.9° | 50.6° |
| C6 | C7 | C10 | H2 | 145.9° | 170.7° |
| C6 | C7 | C10 | H3 | 94.1° | 69.3° |
| C6 | C7 | C9 | H4 | 26.7° | 179.8° |
| C6 | C7 | C9 | H5 | 93.3° | 60.1° |
| C6 | C7 | C9 | H6 | 146.7° | 59.8° |
| C7 | C6 | C1 | H8 | 25.8° | 10.7° |
| C7 | C6 | C1 | H9 | 144.2° | 131.2° |
| C6 | C7 | C5 | H10 | 107.1° | 108.1° |
| C7 | C5 | C4 | H10 | 140.8° | 148.0° |
| C7 | C5 | C4 | C3 | 77.9° | 109.1° |
| C5 | C7 | C10 | H1 | 44.0° | 18.5° |
| C5 | C7 | C10 | H2 | 76.0° | 101.6° |
| C5 | C7 | C10 | H3 | 164.0° | 138.4° |
| C5 | C7 | C9 | H4 | 38.9° | 111.1° |
| C5 | C7 | C9 | H5 | 159.0° | 9.0° |
| C5 | C7 | C9 | H6 | 81.0° | 128.9° |
| C7 | C5 | C4 | H11 | 160.8° | 131.2° |
| C7 | C5 | C4 | H12 | 43.4° | 10.6° |
| C5 | C6 | C1 | H7 | 143.6° | 144.7° |
| C6 | C5 | C4 | H10 | 150.4° | 144.7° |
| C5 | C6 | C1 | C2 | 28.4° | 41.8° |
| C6 | C5 | C4 | C3 | 9.1° | 41.8° |
| C5 | C6 | C1 | H8 | 92.4° | 78.0° |
| C5 | C6 | C1 | H9 | 149.3° | 161.5° |
| C6 | C5 | C4 | H11 | 130.4° | 161.5° |
| C6 | C5 | C4 | H12 | 112.3° | 77.9° |
| C1 | C6 | C5 | C4 | 7.0° | 0.0° |
| C6 | C1 | C2 | H8 | 120.8° | 119.7° |
| C6 | C1 | C2 | H9 | 120.8° | 119.7° |
| C6 | C1 | C2 | C3 | 63.1° | 44.5° |
| C6 | C1 | C2 | C8 | 174.1° | 135.6° |
| C6 | C1 | H8 | H9 | 117.5° | 120.4° |
| C1 | C6 | C5 | H10 | 143.4° | 144.0° |
| C5 | C4 | C3 | H11 | 121.3° | 119.7° |
| C5 | C4 | C3 | H12 | 121.3° | 119.7° |
| C5 | C4 | C3 | C2 | 24.6° | 44.4° |
| C4 | C5 | C6 | H7 | 150.5° | 144.0° |
| C5 | C4 | H11 | H12 | 115.8° | 120.5° |
| C5 | C4 | C3 | H13 | 155.3° | 135.6° |
| C1 | C2 | C3 | C4 | 58.9° | 0.0° |
| C1 | C2 | C3 | C8 | 128.3° | 179.9° |
| C2 | C1 | C6 | H7 | 115.2° | 102.9° |
| C2 | C1 | H8 | H9 | 117.5° | 120.5° |
| C1 | C2 | C3 | H13 | 121.1° | 180.0° |
| C1 | C2 | C8 | H16 | 180.0° | 90.0° |
| C1 | C2 | C8 | H17 | 60.0° | 150.0° |
| C1 | C2 | C8 | H18 | 60.0° | 29.9° |
| C4 | C3 | C2 | H13 | 180.0° | 180.0° |
| C4 | C3 | C2 | C8 | 172.8° | 180.0° |
| C3 | C4 | C5 | H10 | 141.3° | 102.9° |
| C3 | C4 | H11 | H12 | 115.8° | 120.5° |
| C3 | C2 | C1 | H8 | 57.8° | 75.3° |
| C3 | C2 | C1 | H9 | 176.1° | 164.2° |
| C2 | C3 | C4 | H11 | 96.7° | 164.1° |
| C2 | C3 | C4 | H12 | 146.0° | 75.3° |
| C3 | C2 | C8 | H16 | 56.5° | 90.0° |
| C3 | C2 | C8 | H17 | 63.5° | 30.0° |
| C3 | C2 | C8 | H18 | 176.5° | 150.0° |
| C8 | C2 | C1 | H8 | 65.1° | 104.7° |
| C8 | C2 | C1 | H9 | 53.3° | 15.9° |
| C8 | C2 | C3 | H13 | 7.2° | 0.1° |
| C2 | C8 | H16 | H17 | 120.0° | 120.0° |
| C2 | C8 | H16 | H18 | 120.0° | 120.0° |
| C2 | C8 | H17 | H18 | 120.0° | 120.0° |
| H1 | C10 | H2 | H3 | 120.0° | 119.9° |
| H4 | C9 | H5 | H6 | 120.0° | 119.9° |
| H7 | C6 | C1 | H8 | 124.0° | 137.3° |
| H7 | C6 | C1 | H9 | 5.6° | 16.9° |
| H7 | C6 | C5 | H10 | 0.2° | 0.0° |
| H10 | C5 | C4 | H11 | 20.0° | 16.8° |
| H10 | C5 | C4 | H12 | 97.3° | 137.3° |
| H11 | C4 | C3 | H13 | 83.3° | 15.9° |
| H12 | C4 | C3 | H13 | 34.0° | 104.7° |
| H16 | C8 | H17 | H18 | 120.0° | 120.0° |
