PGO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.58Å | |
| C1 | O1 | sing | 1.43Å | 1.46Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | O2 | sing | 1.43Å | 1.48Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 105.4° | 109.5° |
| C2 | C1 | H11 | 110.9° | 109.5° |
| C2 | C1 | H12 | 111.7° | 109.5° |
| C1 | C2 | C3 | 109.1° | 109.5° |
| C1 | C2 | O2 | 116.2° | 109.5° |
| C1 | C2 | H2 | 106.0° | 109.5° |
| O1 | C1 | H11 | 110.9° | 109.4° |
| O1 | C1 | H12 | 111.7° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| H11 | C1 | H12 | 106.4° | 109.5° |
| C3 | C2 | O2 | 112.1° | 109.5° |
| C3 | C2 | H2 | 110.6° | 109.5° |
| C2 | C3 | H31 | 109.5° | 109.5° |
| C2 | C3 | H32 | 109.5° | 109.4° |
| C2 | C3 | H33 | 109.4° | 109.5° |
| O2 | C2 | H2 | 102.5° | 109.4° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| H31 | C3 | H32 | 109.4° | 109.5° |
| H31 | C3 | H33 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | H11 | 120.0° | 120.0° |
| C2 | C1 | O1 | H12 | 121.5° | 120.1° |
| C2 | C1 | H11 | H12 | 121.6° | 120.0° |
| C1 | C2 | C3 | O2 | 130.1° | 120.0° |
| C1 | C2 | C3 | H2 | 116.2° | 120.1° |
| C1 | C2 | O2 | H2 | 115.0° | 120.0° |
| C1 | C2 | C3 | H31 | 36.8° | 60.0° |
| C1 | C2 | C3 | H32 | 156.8° | 180.0° |
| C1 | C2 | C3 | H33 | 83.2° | 60.0° |
| C2 | C1 | O1 | HO1 | 132.1° | 180.0° |
| C1 | C2 | O2 | HO2 | 131.6° | 180.0° |
| O1 | C1 | H11 | H12 | 121.7° | 120.0° |
| O1 | C1 | C2 | C3 | 55.0° | 55.0° |
| O1 | C1 | C2 | O2 | 177.1° | 65.0° |
| O1 | C1 | C2 | H2 | 64.0° | 175.0° |
| H11 | C1 | C2 | C3 | 65.0° | 175.0° |
| H11 | C1 | C2 | O2 | 62.9° | 55.0° |
| H11 | C1 | C2 | H2 | 175.9° | 65.0° |
| H11 | C1 | O1 | HO1 | 107.8° | 60.0° |
| H12 | C1 | C2 | C3 | 176.6° | 65.0° |
| H12 | C1 | C2 | O2 | 55.6° | 175.0° |
| H12 | C1 | C2 | H2 | 57.5° | 55.0° |
| H12 | C1 | O1 | HO1 | 10.6° | 60.0° |
| C3 | C2 | O2 | H2 | 118.6° | 120.0° |
| C2 | C3 | H31 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H33 | 120.0° | 120.0° |
| C2 | C3 | H32 | H33 | 120.0° | 120.0° |
| C3 | C2 | O2 | HO2 | 5.2° | 60.0° |
| O2 | C2 | C3 | H31 | 166.9° | 180.0° |
| O2 | C2 | C3 | H32 | 73.1° | 60.0° |
| O2 | C2 | C3 | H33 | 46.9° | 60.0° |
| H2 | C2 | C3 | H31 | 79.3° | 60.0° |
| H2 | C2 | C3 | H32 | 40.6° | 60.0° |
| H2 | C2 | C3 | H33 | 160.6° | 180.0° |
| H2 | C2 | O2 | HO2 | 113.4° | 60.0° |
| H31 | C3 | H32 | H33 | 120.0° | 120.0° |
