VPW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C2 | sing | 1.74Å | 1.63Å | |
| C2 | C3 | doub | 1.38Å | 1.35Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.28Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.32Å | Aromatic |
| C1 | C | doub | 1.38Å | 1.30Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.34Å | Aromatic |
| C | C5 | sing | 1.39Å | 1.32Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.46Å | |
| C10 | C6 | sing | 1.50Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | doub | 1.31Å | 1.30Å | |
| C7 | C8 | sing | 1.50Å | 1.52Å | |
| C9 | N | sing | 1.47Å | 1.54Å | |
| N | C8 | sing | 1.47Å | 1.51Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C2 | C3 | 123.5° | 119.9° |
| CL | C2 | C1 | 115.2° | 119.9° |
| C3 | C2 | C1 | 121.2° | 120.3° |
| C2 | C3 | C4 | 118.4° | 120.1° |
| C2 | C3 | H8 | 120.8° | 119.9° |
| C2 | C1 | C | 120.3° | 120.1° |
| C2 | C1 | H6 | 119.9° | 120.0° |
| C3 | C4 | C5 | 120.0° | 119.9° |
| C3 | C4 | H7 | 120.0° | 120.1° |
| C4 | C3 | H8 | 120.8° | 120.0° |
| C1 | C | C5 | 121.5° | 119.9° |
| C | C1 | H6 | 119.9° | 119.9° |
| C1 | C | H9 | 119.3° | 120.1° |
| C4 | C5 | C | 118.6° | 119.8° |
| C4 | C5 | C6 | 127.4° | 120.1° |
| C5 | C4 | H7 | 120.0° | 120.1° |
| C | C5 | C6 | 114.0° | 120.1° |
| C5 | C | H9 | 119.3° | 120.1° |
| C5 | C6 | C10 | 115.0° | 118.7° |
| C5 | C6 | C7 | 125.9° | 118.7° |
| C6 | C10 | C9 | 112.1° | 109.7° |
| C10 | C6 | C7 | 119.0° | 122.7° |
| C6 | C10 | H10 | 108.8° | 109.4° |
| C6 | C10 | H11 | 108.8° | 109.4° |
| C10 | C9 | N | 107.3° | 108.7° |
| C10 | C9 | H4 | 110.0° | 109.7° |
| C10 | C9 | H5 | 110.0° | 109.5° |
| C9 | C10 | H10 | 108.8° | 109.4° |
| C9 | C10 | H11 | 108.8° | 109.4° |
| C6 | C7 | C8 | 124.9° | 123.1° |
| C6 | C7 | H1 | 117.5° | 118.5° |
| C7 | C8 | N | 113.0° | 110.3° |
| C8 | C7 | H1 | 117.5° | 118.4° |
| C7 | C8 | H2 | 108.6° | 109.4° |
| C7 | C8 | H3 | 108.6° | 109.3° |
| C9 | N | C8 | 103.5° | 110.5° |
| N | C9 | H4 | 110.0° | 109.7° |
| N | C9 | H5 | 110.0° | 109.6° |
| C9 | N | H12 | 111.0° | 111.0° |
| N | C8 | H2 | 108.6° | 109.3° |
| N | C8 | H3 | 108.6° | 109.2° |
| C8 | N | H12 | 110.9° | 110.6° |
| H2 | C8 | H3 | 109.4° | 109.3° |
| H4 | C9 | H5 | 109.5° | 109.6° |
| H10 | C10 | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C2 | C3 | C1 | 177.5° | 180.0° |
| CL | C2 | C3 | C4 | 175.1° | 179.4° |
| CL | C2 | C1 | C | 176.0° | 180.0° |
| CL | C2 | C1 | H6 | 4.0° | 0.2° |
| CL | C2 | C3 | H8 | 4.9° | 0.3° |
| C2 | C3 | C4 | H8 | 180.0° | 179.1° |
| C3 | C2 | C1 | C | 1.7° | 0.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.8° |
| C3 | C2 | C1 | H6 | 178.3° | 179.7° |
| C2 | C3 | C4 | H7 | 179.3° | 179.7° |
| C1 | C2 | C3 | C4 | 2.4° | 0.6° |
| C2 | C1 | C | H6 | 180.0° | 179.7° |
| C2 | C1 | C | C5 | 0.6° | 0.3° |
| C1 | C2 | C3 | H8 | 177.6° | 179.7° |
| C2 | C1 | C | H9 | 179.3° | 179.8° |
| C3 | C4 | C5 | H7 | 180.0° | 179.4° |
| C3 | C4 | C5 | C | 1.5° | 0.5° |
| C3 | C4 | C5 | C6 | 178.8° | 179.5° |
| C1 | C | C5 | C4 | 2.3° | 0.1° |
| C1 | C | C5 | H9 | 180.0° | 179.9° |
| C1 | C | C5 | C6 | 178.0° | 180.0° |
| C4 | C5 | C | C6 | 179.7° | 179.9° |
| C4 | C5 | C6 | C10 | 141.6° | 115.0° |
| C4 | C5 | C6 | C7 | 42.6° | 65.0° |
| C5 | C4 | C3 | H8 | 179.3° | 179.9° |
| C4 | C5 | C | H9 | 177.7° | 180.0° |
| C | C5 | C6 | C10 | 38.1° | 65.1° |
| C | C5 | C6 | C7 | 137.7° | 115.0° |
| C5 | C | C1 | H6 | 179.3° | 179.9° |
| C | C5 | C4 | H7 | 178.5° | 179.9° |
| C5 | C6 | C10 | C7 | 176.1° | 180.0° |
| C5 | C6 | C10 | C9 | 153.5° | 163.5° |
| C5 | C6 | C7 | C8 | 174.6° | 179.6° |
| C5 | C6 | C7 | H1 | 5.4° | 0.6° |
| C6 | C5 | C4 | H7 | 1.2° | 0.0° |
| C6 | C5 | C | H9 | 2.0° | 0.1° |
| C5 | C6 | C10 | H10 | 33.1° | 43.4° |
| C5 | C6 | C10 | H11 | 86.1° | 76.5° |
| C6 | C10 | C9 | H10 | 120.4° | 120.1° |
| C6 | C10 | C9 | H11 | 120.4° | 120.0° |
| C10 | C6 | C7 | C8 | 1.0° | 0.4° |
| C6 | C10 | C9 | N | 58.3° | 49.1° |
| C10 | C6 | C7 | H1 | 179.0° | 179.4° |
| C6 | C10 | C9 | H4 | 61.4° | 169.0° |
| C6 | C10 | C9 | H5 | 178.0° | 70.7° |
| C6 | C10 | H10 | H11 | 118.8° | 119.9° |
| C9 | C10 | C6 | C7 | 22.6° | 16.5° |
| C10 | C9 | N | H4 | 119.6° | 120.0° |
| C10 | C9 | N | H5 | 119.7° | 119.6° |
| C10 | C9 | N | C8 | 69.9° | 69.0° |
| C10 | C9 | H4 | H5 | 121.0° | 120.3° |
| C9 | C10 | H10 | H11 | 118.8° | 119.9° |
| C10 | C9 | N | H12 | 171.1° | 54.2° |
| C6 | C7 | C8 | H1 | 180.0° | 179.8° |
| C6 | C7 | C8 | N | 15.9° | 16.8° |
| C6 | C7 | C8 | H2 | 136.5° | 103.4° |
| C6 | C7 | C8 | H3 | 104.6° | 136.9° |
| C7 | C6 | C10 | H10 | 143.0° | 136.6° |
| C7 | C6 | C10 | H11 | 97.8° | 103.5° |
| C7 | C8 | N | C9 | 48.5° | 50.8° |
| C7 | C8 | N | H2 | 120.6° | 120.3° |
| C7 | C8 | N | H3 | 120.5° | 120.2° |
| C7 | C8 | H2 | H3 | 118.4° | 119.7° |
| C7 | C8 | N | H12 | 167.5° | 72.5° |
| C9 | N | C8 | H12 | 119.1° | 123.4° |
| C9 | N | C8 | H2 | 169.0° | 69.4° |
| C9 | N | C8 | H3 | 72.1° | 171.0° |
| N | C9 | H4 | H5 | 121.0° | 120.4° |
| N | C9 | C10 | H10 | 178.7° | 169.1° |
| N | C9 | C10 | H11 | 62.1° | 70.9° |
| N | C8 | C7 | H1 | 164.1° | 162.9° |
| N | C8 | H2 | H3 | 118.4° | 119.5° |
| C8 | N | C9 | H4 | 49.7° | 171.0° |
| C8 | N | C9 | H5 | 170.4° | 50.6° |
| H1 | C7 | C8 | H2 | 43.6° | 76.8° |
| H1 | C7 | C8 | H3 | 75.4° | 42.9° |
| H2 | C8 | N | H12 | 71.9° | 167.2° |
| H3 | C8 | N | H12 | 47.0° | 47.6° |
| H4 | C9 | C10 | H10 | 59.0° | 70.9° |
| H4 | C9 | C10 | H11 | 178.2° | 49.0° |
| H4 | C9 | N | H12 | 69.3° | 65.8° |
| H5 | C9 | C10 | H10 | 61.6° | 49.4° |
| H5 | C9 | C10 | H11 | 57.6° | 169.4° |
| H5 | C9 | N | H12 | 51.4° | 173.8° |
| H6 | C1 | C | H9 | 0.7° | 0.0° |
| H7 | C4 | C3 | H8 | 0.7° | 0.6° |
