1SP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C2 | HA | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C5 | H53C | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C3 | 108.2° | 109.5° |
| O2 | C2 | C1 | 111.2° | 109.5° |
| C2 | O2 | H2 | 109.5° | 114.0° |
| O2 | C2 | HA | 110.6° | 109.4° |
| C3 | C2 | C1 | 113.5° | 109.5° |
| C2 | C3 | C4 | 112.5° | 109.5° |
| C3 | C2 | HA | 108.2° | 109.5° |
| C2 | C3 | H31C | 108.5° | 109.4° |
| C2 | C3 | H32C | 107.8° | 109.5° |
| C2 | C1 | O1 | 114.3° | 109.5° |
| C1 | C2 | HA | 105.0° | 109.5° |
| C2 | C1 | H11C | 107.9° | 109.5° |
| C2 | C1 | H12C | 106.8° | 109.4° |
| C3 | C4 | C5 | 111.9° | 109.5° |
| C4 | C3 | H31C | 108.5° | 109.5° |
| C4 | C3 | H32C | 107.8° | 109.5° |
| C3 | C4 | H41C | 108.6° | 109.5° |
| C3 | C4 | H42C | 108.1° | 109.5° |
| C5 | C4 | H41C | 108.7° | 109.4° |
| C5 | C4 | H42C | 108.1° | 109.4° |
| C4 | C5 | H51C | 109.5° | 109.5° |
| C4 | C5 | H52C | 109.5° | 109.5° |
| C4 | C5 | H53C | 109.5° | 109.5° |
| O1 | C1 | H11C | 107.9° | 109.5° |
| O1 | C1 | H12C | 106.8° | 109.5° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| H31C | C3 | H32C | 111.8° | 109.5° |
| H11C | C1 | H12C | 113.3° | 109.5° |
| H41C | C4 | H42C | 111.4° | 109.5° |
| H51C | C5 | H52C | 109.5° | 109.5° |
| H51C | C5 | H53C | 109.4° | 109.5° |
| H52C | C5 | H53C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C3 | C1 | 124.0° | 120.0° |
| O2 | C2 | C3 | HA | 119.9° | 120.0° |
| O2 | C2 | C1 | HA | 119.7° | 120.0° |
| O2 | C2 | C3 | C4 | 102.5° | 65.0° |
| O2 | C2 | C1 | O1 | 37.9° | 65.0° |
| O2 | C2 | C3 | H31C | 17.6° | 175.0° |
| O2 | C2 | C3 | H32C | 138.8° | 55.0° |
| O2 | C2 | C1 | H11C | 82.1° | 55.0° |
| O2 | C2 | C1 | H12C | 155.8° | 175.0° |
| C3 | C2 | C1 | HA | 118.0° | 120.0° |
| C2 | C3 | C4 | H31C | 120.0° | 120.0° |
| C2 | C3 | C4 | H32C | 118.7° | 120.0° |
| C2 | C3 | C4 | C5 | 76.5° | 180.0° |
| C3 | C2 | C1 | O1 | 84.4° | 175.0° |
| C3 | C2 | O2 | H2 | 11.2° | 60.0° |
| C2 | C3 | H31C | H32C | 118.8° | 120.0° |
| C3 | C2 | C1 | H11C | 155.6° | 65.0° |
| C3 | C2 | C1 | H12C | 33.5° | 55.0° |
| C2 | C3 | C4 | H41C | 43.5° | 60.0° |
| C2 | C3 | C4 | H42C | 164.5° | 60.0° |
| C1 | C2 | C3 | C4 | 133.6° | 175.0° |
| C2 | C1 | O1 | H11C | 120.0° | 120.0° |
| C2 | C1 | O1 | H12C | 117.9° | 119.9° |
| C1 | C2 | O2 | H2 | 136.5° | 60.0° |
| C1 | C2 | C3 | H31C | 106.4° | 55.0° |
| C1 | C2 | C3 | H32C | 14.9° | 65.0° |
| C2 | C1 | H11C | H12C | 118.0° | 120.0° |
| C2 | C1 | O1 | H1 | 42.0° | 180.0° |
| C3 | C4 | C5 | H41C | 120.0° | 120.0° |
| C3 | C4 | C5 | H42C | 119.0° | 120.0° |
| C4 | C3 | C2 | HA | 17.5° | 55.0° |
| C4 | C3 | H31C | H32C | 118.8° | 120.0° |
| C3 | C4 | H41C | H42C | 119.0° | 120.1° |
| C3 | C4 | C5 | H51C | 51.5° | 60.0° |
| C3 | C4 | C5 | H52C | 171.5° | 60.0° |
| C3 | C4 | C5 | H53C | 68.4° | 180.0° |
| C5 | C4 | C3 | H31C | 163.5° | 60.0° |
| C5 | C4 | C3 | H32C | 42.2° | 60.0° |
| C5 | C4 | H41C | H42C | 119.0° | 119.9° |
| C4 | C5 | H51C | H52C | 120.0° | 120.0° |
| C4 | C5 | H51C | H53C | 120.0° | 120.1° |
| C4 | C5 | H52C | H53C | 120.0° | 120.0° |
| O1 | C1 | C2 | HA | 157.6° | 55.0° |
| O1 | C1 | H11C | H12C | 118.1° | 120.0° |
| H2 | O2 | C2 | HA | 107.2° | 180.0° |
| HA | C2 | C3 | H31C | 137.5° | 65.1° |
| HA | C2 | C3 | H32C | 101.3° | 175.0° |
| HA | C2 | C1 | H11C | 37.6° | 175.0° |
| HA | C2 | C1 | H12C | 84.5° | 65.0° |
| H31C | C3 | C4 | H41C | 76.5° | 60.0° |
| H31C | C3 | C4 | H42C | 44.5° | 180.0° |
| H32C | C3 | C4 | H41C | 162.2° | 180.0° |
| H32C | C3 | C4 | H42C | 76.7° | 60.0° |
| H11C | C1 | O1 | H1 | 162.0° | 60.0° |
| H12C | C1 | O1 | H1 | 75.9° | 60.1° |
| H41C | C4 | C5 | H51C | 68.5° | 180.0° |
| H41C | C4 | C5 | H52C | 51.5° | 60.0° |
| H41C | C4 | C5 | H53C | 171.6° | 59.9° |
| H42C | C4 | C5 | H51C | 170.5° | 60.0° |
| H42C | C4 | C5 | H52C | 69.5° | 180.0° |
| H42C | C4 | C5 | H53C | 50.5° | 60.0° |
| H51C | C5 | H52C | H53C | 120.0° | 120.0° |
