VF6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N05 | C04 | sing | 1.39Å | 1.46Å | |
| C10 | C09 | sing | 1.53Å | 1.38Å | |
| C10 | C11 | sing | 1.53Å | 1.38Å | |
| C04 | N03 | doub | 1.33Å | 1.31Å | Aromatic |
| C04 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| N03 | C02 | sing | 1.32Å | 1.31Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.54Å | |
| C09 | C11 | sing | 1.53Å | 1.40Å | |
| C07 | C08 | sing | 1.53Å | 1.32Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C06 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.45Å | |
| C02 | N23 | doub | 1.32Å | 1.31Å | Aromatic |
| C12 | N23 | sing | 1.33Å | 1.30Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.53Å | |
| C13 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | N17 | sing | 1.40Å | 1.47Å | |
| N17 | C18 | sing | 1.35Å | 1.46Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C18 | O20 | doub | 1.21Å | 1.18Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| N01 | H17 | sing | 0.97Å | 1.00Å | |
| N01 | H18 | sing | 0.97Å | 1.00Å | |
| N05 | H19 | sing | 0.97Å | 1.00Å | |
| N05 | H20 | sing | 0.97Å | 1.00Å | |
| N17 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N05 | C04 | N03 | 115.9° | 120.5° |
| N05 | C04 | C06 | 124.7° | 120.4° |
| C04 | N05 | H19 | 109.5° | 120.0° |
| C04 | N05 | H20 | 109.5° | 120.0° |
| C09 | C10 | C11 | 60.5° | 60.0° |
| C10 | C09 | C08 | 151.0° | 117.5° |
| C10 | C09 | C11 | 59.7° | 60.0° |
| C09 | C10 | H1 | 120.0° | 117.5° |
| C09 | C10 | H2 | 119.9° | 117.5° |
| C10 | C09 | H10 | 90.7° | 117.5° |
| C10 | C11 | C09 | 59.7° | 60.0° |
| C11 | C10 | H1 | 119.9° | 117.5° |
| C11 | C10 | H2 | 119.9° | 117.5° |
| C10 | C11 | H11 | 120.0° | 117.5° |
| C10 | C11 | H12 | 120.1° | 117.5° |
| N03 | C04 | C06 | 119.4° | 119.2° |
| C04 | N03 | C02 | 119.9° | 120.8° |
| C04 | C06 | C07 | 122.7° | 120.8° |
| C04 | C06 | C12 | 118.1° | 118.3° |
| N03 | C02 | N01 | 118.7° | 119.1° |
| N03 | C02 | N23 | 123.0° | 121.8° |
| C08 | C09 | C11 | 149.2° | 117.5° |
| C09 | C08 | C07 | 113.6° | 109.5° |
| C09 | C08 | H8 | 108.4° | 109.5° |
| C09 | C08 | H9 | 108.4° | 109.5° |
| C08 | C09 | H10 | 90.6° | 115.5° |
| C11 | C09 | H10 | 90.7° | 117.5° |
| C09 | C11 | H11 | 120.0° | 117.5° |
| C09 | C11 | H12 | 120.0° | 117.5° |
| C08 | C07 | C06 | 131.1° | 109.4° |
| C08 | C07 | H6 | 103.8° | 109.4° |
| C08 | C07 | H7 | 103.9° | 109.4° |
| C07 | C08 | H8 | 108.4° | 109.4° |
| C07 | C08 | H9 | 108.5° | 109.4° |
| C07 | C06 | C12 | 119.1° | 120.8° |
| C06 | C07 | H6 | 103.8° | 109.5° |
| C06 | C07 | H7 | 103.8° | 109.5° |
| C06 | C12 | N23 | 118.5° | 119.1° |
| C06 | C12 | C13 | 124.3° | 120.5° |
| N01 | C02 | N23 | 118.3° | 119.1° |
| C02 | N01 | H17 | 109.5° | 120.0° |
| C02 | N01 | H18 | 109.5° | 120.0° |
| C02 | N23 | C12 | 121.0° | 120.7° |
| N23 | C12 | C13 | 117.2° | 120.4° |
| C12 | C13 | C22 | 121.8° | 120.1° |
| C12 | C13 | C14 | 118.8° | 120.0° |
| C22 | C13 | C14 | 119.4° | 119.9° |
| C13 | C22 | C21 | 120.9° | 120.0° |
| C13 | C22 | H5 | 119.5° | 120.0° |
| C13 | C14 | C15 | 119.6° | 120.0° |
| C13 | C14 | H13 | 120.2° | 120.0° |
| C22 | C21 | C16 | 119.4° | 120.1° |
| C22 | C21 | H4 | 120.3° | 120.0° |
| C21 | C22 | H5 | 119.5° | 120.0° |
| C14 | C15 | C16 | 120.9° | 120.0° |
| C14 | C15 | H3 | 119.6° | 120.0° |
| C15 | C14 | H13 | 120.2° | 120.0° |
| C21 | C16 | C15 | 119.7° | 120.1° |
| C21 | C16 | N17 | 121.5° | 120.0° |
| C16 | C21 | H4 | 120.3° | 120.0° |
| C15 | C16 | N17 | 118.8° | 119.9° |
| C16 | C15 | H3 | 119.5° | 119.9° |
| C16 | N17 | C18 | 126.1° | 120.0° |
| C16 | N17 | H21 | 116.9° | 120.0° |
| N17 | C18 | C19 | 123.6° | 120.0° |
| N17 | C18 | O20 | 115.9° | 120.1° |
| C18 | N17 | H21 | 117.0° | 120.1° |
| C19 | C18 | O20 | 120.5° | 120.0° |
| C18 | C19 | H14 | 109.5° | 109.5° |
| C18 | C19 | H15 | 109.5° | 109.5° |
| C18 | C19 | H16 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.4° | 115.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 115.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H16 | 109.5° | 109.4° |
| H15 | C19 | H16 | 109.5° | 109.4° |
| H17 | N01 | H18 | 109.5° | 119.9° |
| H19 | N05 | H20 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N05 | C04 | N03 | C06 | 178.3° | 180.0° |
| N05 | C04 | N03 | C02 | 180.0° | 180.0° |
| N05 | C04 | C06 | C07 | 4.4° | 0.0° |
| N05 | C04 | C06 | C12 | 179.8° | 179.8° |
| C04 | N05 | H19 | H20 | 120.0° | 179.9° |
| C09 | C10 | C11 | H1 | 109.7° | 107.5° |
| C09 | C10 | C11 | H2 | 109.6° | 107.5° |
| C10 | C09 | C08 | C11 | 175.1° | 68.6° |
| C10 | C09 | C08 | H10 | 92.6° | 145.7° |
| C10 | C09 | C11 | H10 | 90.4° | 107.5° |
| C10 | C09 | C08 | C07 | 83.0° | 175.0° |
| C09 | C10 | H1 | H2 | 144.4° | 145.7° |
| C10 | C09 | C08 | H8 | 156.4° | 65.0° |
| C10 | C09 | C08 | H9 | 37.7° | 55.0° |
| C09 | C10 | C11 | H11 | 109.4° | 107.5° |
| C09 | C10 | C11 | H12 | 109.4° | 107.5° |
| C11 | C10 | H1 | H2 | 144.4° | 145.7° |
| C10 | C11 | H11 | H12 | 144.9° | 145.7° |
| N03 | C04 | C06 | C07 | 177.5° | 180.0° |
| N03 | C04 | C06 | C12 | 1.6° | 0.2° |
| C04 | N03 | C02 | N01 | 178.9° | 180.0° |
| C04 | N03 | C02 | N23 | 0.2° | 0.3° |
| N03 | C04 | N05 | H19 | 0.0° | 0.0° |
| N03 | C04 | N05 | H20 | 120.0° | 180.0° |
| C06 | C04 | N03 | C02 | 1.7° | 0.0° |
| C04 | C06 | C07 | C08 | 102.2° | 95.3° |
| C04 | C06 | C07 | C12 | 175.8° | 179.8° |
| C04 | C06 | C12 | N23 | 0.1° | 0.2° |
| C04 | C06 | C12 | C13 | 178.1° | 179.9° |
| C04 | C06 | C07 | H6 | 20.5° | 144.8° |
| C04 | C06 | C07 | H7 | 135.0° | 24.7° |
| C06 | C04 | N05 | H19 | 178.2° | 180.0° |
| C06 | C04 | N05 | H20 | 58.2° | 0.1° |
| N03 | C02 | N01 | N23 | 178.8° | 179.7° |
| N03 | C02 | N23 | C12 | 1.4° | 0.2° |
| N03 | C02 | N01 | H17 | 0.0° | 179.7° |
| N03 | C02 | N01 | H18 | 120.0° | 0.2° |
| C08 | C09 | C11 | H10 | 92.4° | 145.0° |
| C09 | C08 | C07 | H8 | 120.6° | 120.0° |
| C09 | C08 | C07 | H9 | 120.6° | 120.0° |
| C09 | C08 | C07 | C06 | 177.1° | 180.0° |
| C08 | C09 | C10 | H1 | 67.5° | 0.0° |
| C08 | C09 | C10 | H2 | 73.3° | 145.0° |
| C09 | C08 | C07 | H6 | 60.1° | 60.0° |
| C09 | C08 | C07 | H7 | 54.4° | 60.0° |
| C09 | C08 | H8 | H9 | 118.1° | 120.0° |
| C08 | C09 | C11 | H11 | 67.8° | 0.0° |
| C08 | C09 | C11 | H12 | 73.3° | 145.0° |
| C11 | C09 | C08 | C07 | 92.1° | 116.3° |
| C11 | C09 | C08 | H8 | 28.5° | 3.6° |
| C11 | C09 | C08 | H9 | 147.3° | 123.7° |
| C09 | C11 | H11 | H12 | 144.9° | 145.7° |
| C08 | C07 | C06 | H6 | 122.7° | 120.0° |
| C08 | C07 | C06 | H7 | 122.8° | 120.0° |
| C08 | C07 | C06 | C12 | 82.0° | 84.6° |
| C08 | C07 | H6 | H7 | 110.4° | 120.0° |
| C07 | C08 | H8 | H9 | 118.1° | 120.0° |
| C07 | C08 | C09 | H10 | 175.5° | 29.3° |
| C07 | C06 | C12 | N23 | 176.1° | 179.9° |
| C07 | C06 | C12 | C13 | 2.1° | 0.2° |
| C06 | C07 | H6 | H7 | 110.4° | 120.1° |
| C06 | C07 | C08 | H8 | 56.5° | 60.0° |
| C06 | C07 | C08 | H9 | 62.3° | 60.0° |
| C06 | C12 | N23 | C02 | 1.4° | 0.0° |
| C06 | C12 | N23 | C13 | 178.3° | 179.7° |
| C06 | C12 | C13 | C22 | 53.6° | 49.4° |
| C06 | C12 | C13 | C14 | 127.0° | 130.9° |
| C12 | C06 | C07 | H6 | 155.3° | 35.4° |
| C12 | C06 | C07 | H7 | 40.8° | 155.5° |
| N01 | C02 | N23 | C12 | 177.3° | 180.0° |
| C02 | N01 | H17 | H18 | 120.0° | 179.9° |
| C02 | N23 | C12 | C13 | 179.7° | 179.7° |
| N23 | C02 | N01 | H17 | 178.8° | 0.1° |
| N23 | C02 | N01 | H18 | 61.2° | 180.0° |
| N23 | C12 | C13 | C22 | 128.2° | 130.3° |
| N23 | C12 | C13 | C14 | 51.2° | 49.4° |
| C12 | C13 | C22 | C14 | 179.5° | 179.8° |
| C12 | C13 | C22 | C21 | 178.5° | 179.7° |
| C12 | C13 | C14 | C15 | 179.6° | 179.7° |
| C12 | C13 | C22 | H5 | 1.4° | 0.2° |
| C12 | C13 | C14 | H13 | 0.4° | 0.3° |
| C13 | C22 | C21 | H5 | 180.0° | 179.9° |
| C22 | C13 | C14 | C15 | 0.9° | 0.0° |
| C13 | C22 | C21 | C16 | 2.9° | 0.1° |
| C13 | C22 | C21 | H4 | 177.1° | 180.0° |
| C22 | C13 | C14 | H13 | 179.1° | 179.9° |
| C14 | C13 | C22 | C21 | 2.0° | 0.0° |
| C13 | C14 | C15 | H13 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.8° | 0.0° |
| C13 | C14 | C15 | H3 | 179.2° | 179.9° |
| C14 | C13 | C22 | H5 | 178.0° | 180.0° |
| C22 | C21 | C16 | H4 | 180.0° | 180.0° |
| C22 | C21 | C16 | C15 | 2.7° | 0.1° |
| C22 | C21 | C16 | N17 | 180.0° | 180.0° |
| C14 | C15 | C16 | C21 | 1.7° | 0.0° |
| C14 | C15 | C16 | H3 | 180.0° | 179.9° |
| C14 | C15 | C16 | N17 | 179.1° | 180.0° |
| C21 | C16 | C15 | N17 | 177.4° | 180.0° |
| C21 | C16 | N17 | C18 | 50.6° | 144.8° |
| C21 | C16 | C15 | H3 | 178.3° | 180.0° |
| C16 | C21 | C22 | H5 | 177.1° | 180.0° |
| C21 | C16 | N17 | H21 | 129.4° | 35.2° |
| C15 | C16 | N17 | C18 | 132.0° | 35.2° |
| C15 | C16 | C21 | H4 | 177.3° | 180.0° |
| C16 | C15 | C14 | H13 | 179.2° | 179.9° |
| C15 | C16 | N17 | H21 | 48.0° | 144.8° |
| C16 | N17 | C18 | H21 | 180.0° | 180.0° |
| C16 | N17 | C18 | C19 | 0.5° | 175.4° |
| C16 | N17 | C18 | O20 | 179.1° | 4.5° |
| N17 | C16 | C15 | H3 | 0.9° | 0.1° |
| N17 | C16 | C21 | H4 | 0.1° | 0.0° |
| N17 | C18 | C19 | O20 | 179.7° | 180.0° |
| N17 | C18 | C19 | H14 | 179.7° | 180.0° |
| N17 | C18 | C19 | H15 | 59.7° | 60.0° |
| N17 | C18 | C19 | H16 | 60.3° | 60.0° |
| C18 | C19 | H14 | H15 | 120.0° | 120.0° |
| C18 | C19 | H14 | H16 | 120.0° | 120.0° |
| C18 | C19 | H15 | H16 | 120.0° | 120.0° |
| C19 | C18 | N17 | H21 | 179.4° | 4.5° |
| O20 | C18 | C19 | H14 | 0.0° | 0.1° |
| O20 | C18 | C19 | H15 | 120.0° | 120.0° |
| O20 | C18 | C19 | H16 | 120.0° | 120.1° |
| O20 | C18 | N17 | H21 | 0.9° | 175.5° |
| H1 | C10 | C09 | H10 | 160.0° | 145.0° |
| H1 | C10 | C11 | H11 | 0.2° | 0.0° |
| H1 | C10 | C11 | H12 | 141.0° | 145.0° |
| H2 | C10 | C09 | H10 | 19.3° | 0.0° |
| H2 | C10 | C11 | H11 | 141.0° | 145.0° |
| H2 | C10 | C11 | H12 | 0.2° | 0.0° |
| H3 | C15 | C14 | H13 | 0.8° | 0.0° |
| H4 | C21 | C22 | H5 | 2.9° | 0.1° |
| H6 | C07 | C08 | H8 | 179.3° | 180.0° |
| H6 | C07 | C08 | H9 | 60.5° | 60.0° |
| H7 | C07 | C08 | H8 | 66.2° | 60.0° |
| H7 | C07 | C08 | H9 | 175.0° | 180.0° |
| H8 | C08 | C09 | H10 | 63.9° | 149.3° |
| H9 | C08 | C09 | H10 | 54.9° | 90.7° |
| H10 | C09 | C11 | H11 | 160.2° | 145.0° |
| H10 | C09 | C11 | H12 | 19.0° | 0.0° |
| H14 | C19 | H15 | H16 | 120.0° | 120.0° |
