3P9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | sing | 1.43Å | 1.49Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.43Å | 1.47Å | |
| O1 | C3 | sing | 1.43Å | 1.45Å | |
| C8 | C7 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| O2 | C6 | sing | 1.43Å | 1.45Å | |
| O2 | C4 | sing | 1.43Å | 1.49Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.58Å | |
| C7 | O3 | sing | 1.43Å | 1.45Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| O | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 114.2° | 109.4° |
| O | C | H18 | 108.3° | 109.5° |
| O | C | H19 | 108.2° | 109.5° |
| C | O | H20 | 109.5° | 114.0° |
| C2 | C1 | C | 105.7° | 109.5° |
| C2 | C1 | O1 | 110.3° | 109.5° |
| C2 | C1 | H14 | 106.8° | 109.5° |
| C1 | C2 | H15 | 109.5° | 109.5° |
| C1 | C2 | H16 | 109.4° | 109.5° |
| C1 | C2 | H17 | 109.5° | 109.4° |
| C | C1 | O1 | 119.0° | 109.5° |
| C | C1 | H14 | 106.8° | 109.4° |
| C1 | C | H18 | 108.3° | 109.5° |
| C1 | C | H19 | 108.3° | 109.5° |
| C1 | O1 | C3 | 119.3° | 114.0° |
| O1 | C1 | H14 | 107.6° | 109.5° |
| O1 | C3 | C4 | 106.6° | 109.5° |
| O1 | C3 | H12 | 110.2° | 109.5° |
| O1 | C3 | H13 | 110.2° | 109.5° |
| C8 | C7 | C6 | 107.5° | 109.5° |
| C8 | C7 | O3 | 110.1° | 109.5° |
| C8 | C7 | H2 | 108.4° | 109.5° |
| C7 | C8 | H3 | 109.5° | 109.5° |
| C7 | C8 | H4 | 109.5° | 109.5° |
| C7 | C8 | H5 | 109.5° | 109.5° |
| C3 | C4 | O2 | 106.6° | 109.5° |
| C3 | C4 | C5 | 102.5° | 109.4° |
| C3 | C4 | H8 | 113.8° | 109.5° |
| C4 | C3 | H12 | 110.2° | 109.5° |
| C4 | C3 | H13 | 110.2° | 109.5° |
| C6 | O2 | C4 | 124.5° | 114.0° |
| O2 | C6 | C7 | 118.4° | 109.5° |
| O2 | C6 | H6 | 107.2° | 109.4° |
| O2 | C6 | H7 | 107.2° | 109.5° |
| O2 | C4 | C5 | 106.5° | 109.5° |
| O2 | C4 | H8 | 113.9° | 109.5° |
| C6 | C7 | O3 | 113.7° | 109.5° |
| C6 | C7 | H2 | 107.9° | 109.5° |
| C7 | C6 | H6 | 107.2° | 109.5° |
| C7 | C6 | H7 | 107.2° | 109.5° |
| C5 | C4 | H8 | 112.6° | 109.5° |
| C4 | C5 | H9 | 109.5° | 109.5° |
| C4 | C5 | H10 | 109.5° | 109.4° |
| C4 | C5 | H11 | 109.5° | 109.5° |
| C7 | O3 | H1 | 109.5° | 114.0° |
| O3 | C7 | H2 | 109.1° | 109.4° |
| H3 | C8 | H4 | 109.5° | 109.4° |
| H3 | C8 | H5 | 109.4° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H9 | C5 | H10 | 109.5° | 109.5° |
| H9 | C5 | H11 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.5° |
| H12 | C3 | H13 | 109.4° | 109.4° |
| H15 | C2 | H16 | 109.5° | 109.5° |
| H15 | C2 | H17 | 109.4° | 109.5° |
| H16 | C2 | H17 | 109.5° | 109.5° |
| H18 | C | H19 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | C2 | 46.8° | 55.0° |
| O | C | C1 | H18 | 120.7° | 120.0° |
| O | C | C1 | H19 | 120.7° | 120.0° |
| O | C | C1 | O1 | 171.4° | 65.0° |
| O | C | C1 | H14 | 66.6° | 175.0° |
| O | C | H18 | H19 | 117.8° | 120.0° |
| C2 | C1 | C | O1 | 124.6° | 120.0° |
| C2 | C1 | C | H14 | 113.4° | 120.0° |
| C2 | C1 | O1 | H14 | 116.1° | 120.1° |
| C2 | C1 | O1 | C3 | 168.3° | 90.0° |
| C1 | C2 | H15 | H16 | 120.0° | 120.0° |
| C1 | C2 | H15 | H17 | 120.0° | 120.0° |
| C1 | C2 | H16 | H17 | 120.0° | 120.0° |
| C2 | C1 | C | H18 | 167.5° | 175.0° |
| C2 | C1 | C | H19 | 73.9° | 65.0° |
| C | C1 | O1 | H14 | 121.6° | 119.9° |
| C | C1 | O1 | C3 | 45.9° | 150.0° |
| C | C1 | C2 | H15 | 180.0° | 60.0° |
| C | C1 | C2 | H16 | 60.0° | 60.0° |
| C | C1 | C2 | H17 | 60.0° | 180.0° |
| C1 | C | H18 | H19 | 117.9° | 120.0° |
| C1 | C | O | H20 | 180.0° | 180.0° |
| C1 | O1 | C3 | C4 | 141.2° | 180.0° |
| C1 | O1 | C3 | H12 | 21.7° | 60.0° |
| C1 | O1 | C3 | H13 | 99.2° | 59.9° |
| O1 | C1 | C2 | H15 | 50.1° | 60.0° |
| O1 | C1 | C2 | H16 | 69.9° | 180.0° |
| O1 | C1 | C2 | H17 | 170.1° | 60.0° |
| O1 | C1 | C | H18 | 67.9° | 55.0° |
| O1 | C1 | C | H19 | 50.7° | 175.0° |
| O1 | C3 | C4 | H12 | 119.6° | 120.0° |
| O1 | C3 | C4 | H13 | 119.6° | 120.1° |
| O1 | C3 | C4 | O2 | 62.0° | 64.9° |
| O1 | C3 | C4 | C5 | 49.7° | 55.0° |
| O1 | C3 | C4 | H8 | 171.6° | 175.0° |
| O1 | C3 | H12 | H13 | 121.3° | 120.0° |
| C3 | O1 | C1 | H14 | 75.6° | 30.1° |
| C8 | C7 | C6 | O2 | 72.9° | 175.0° |
| C8 | C7 | C6 | O3 | 122.1° | 120.0° |
| C8 | C7 | C6 | H2 | 116.7° | 120.0° |
| C8 | C7 | O3 | H2 | 118.8° | 120.0° |
| C8 | C7 | O3 | H1 | 180.0° | 59.9° |
| C7 | C8 | H3 | H4 | 120.0° | 120.0° |
| C7 | C8 | H3 | H5 | 120.0° | 120.1° |
| C7 | C8 | H4 | H5 | 120.0° | 120.0° |
| C8 | C7 | C6 | H6 | 165.8° | 65.0° |
| C8 | C7 | C6 | H7 | 48.4° | 55.0° |
| C3 | C4 | O2 | C6 | 95.1° | 150.0° |
| C3 | C4 | O2 | C5 | 108.9° | 119.9° |
| C3 | C4 | O2 | H8 | 126.3° | 120.1° |
| C3 | C4 | C5 | H8 | 122.7° | 120.0° |
| C3 | C4 | C5 | H9 | 180.0° | 60.0° |
| C3 | C4 | C5 | H10 | 60.0° | 180.0° |
| C3 | C4 | C5 | H11 | 60.0° | 60.0° |
| C4 | C3 | H12 | H13 | 121.3° | 120.0° |
| O2 | C6 | C7 | H6 | 121.3° | 120.0° |
| O2 | C6 | C7 | H7 | 121.3° | 120.0° |
| C6 | O2 | C4 | C5 | 156.0° | 90.0° |
| O2 | C6 | C7 | O3 | 49.2° | 65.0° |
| O2 | C6 | C7 | H2 | 170.3° | 55.0° |
| O2 | C6 | H6 | H7 | 115.9° | 120.0° |
| C6 | O2 | C4 | H8 | 31.3° | 30.0° |
| C4 | O2 | C6 | C7 | 154.3° | 180.0° |
| O2 | C4 | C5 | H8 | 125.6° | 120.0° |
| C4 | O2 | C6 | H6 | 33.1° | 60.0° |
| C4 | O2 | C6 | H7 | 84.4° | 60.0° |
| O2 | C4 | C5 | H9 | 68.3° | 180.0° |
| O2 | C4 | C5 | H10 | 51.8° | 60.0° |
| O2 | C4 | C5 | H11 | 171.8° | 60.0° |
| O2 | C4 | C3 | H12 | 178.4° | 55.1° |
| O2 | C4 | C3 | H13 | 57.6° | 175.0° |
| C6 | C7 | O3 | H2 | 120.5° | 120.0° |
| C6 | C7 | O3 | H1 | 59.3° | 60.1° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | H4 | 60.0° | 60.0° |
| C6 | C7 | C8 | H5 | 60.0° | 60.0° |
| C7 | C6 | H6 | H7 | 115.9° | 120.0° |
| C4 | C5 | H9 | H10 | 120.0° | 120.0° |
| C4 | C5 | H9 | H11 | 120.0° | 120.0° |
| C4 | C5 | H10 | H11 | 120.0° | 120.0° |
| C5 | C4 | C3 | H12 | 69.9° | 175.0° |
| C5 | C4 | C3 | H13 | 169.2° | 65.0° |
| O3 | C7 | C8 | H3 | 55.6° | 60.0° |
| O3 | C7 | C8 | H4 | 175.6° | 180.0° |
| O3 | C7 | C8 | H5 | 64.4° | 60.0° |
| O3 | C7 | C6 | H6 | 72.1° | 55.0° |
| O3 | C7 | C6 | H7 | 170.5° | 175.0° |
| H1 | O3 | C7 | H2 | 61.2° | 179.9° |
| H2 | C7 | C8 | H3 | 63.6° | 59.9° |
| H2 | C7 | C8 | H4 | 56.4° | 60.0° |
| H2 | C7 | C8 | H5 | 176.4° | 180.0° |
| H2 | C7 | C6 | H6 | 49.1° | 175.0° |
| H2 | C7 | C6 | H7 | 68.4° | 65.0° |
| H3 | C8 | H4 | H5 | 120.0° | 119.9° |
| H8 | C4 | C5 | H9 | 57.3° | 60.0° |
| H8 | C4 | C5 | H10 | 177.3° | 60.0° |
| H8 | C4 | C5 | H11 | 62.7° | 180.0° |
| H8 | C4 | C3 | H12 | 52.0° | 65.0° |
| H8 | C4 | C3 | H13 | 68.9° | 54.9° |
| H9 | C5 | H10 | H11 | 120.0° | 120.1° |
| H14 | C1 | C2 | H15 | 66.5° | 179.9° |
| H14 | C1 | C2 | H16 | 173.5° | 59.9° |
| H14 | C1 | C2 | H17 | 53.4° | 60.0° |
| H14 | C1 | C | H18 | 54.1° | 65.0° |
| H14 | C1 | C | H19 | 172.7° | 55.0° |
| H15 | C2 | H16 | H17 | 120.0° | 120.0° |
| H18 | C | O | H20 | 59.3° | 60.0° |
| H19 | C | O | H20 | 59.2° | 60.0° |
