P2D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | doub | 1.21Å | 1.23Å | |
| O2 | C2 | doub | 1.21Å | 1.24Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C4 | C5 | sing | 1.51Å | 1.54Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C3 | 120.0° | 120.0° |
| O4 | C4 | C5 | 118.9° | 120.0° |
| O2 | C2 | C1 | 119.6° | 120.0° |
| O2 | C2 | C3 | 120.4° | 120.0° |
| C3 | C4 | C5 | 121.0° | 120.0° |
| C4 | C3 | C2 | 111.8° | 109.5° |
| C4 | C3 | H4 | 108.9° | 109.5° |
| C4 | C3 | H5 | 108.9° | 109.5° |
| C4 | C5 | H6 | 109.5° | 109.5° |
| C4 | C5 | H7 | 109.5° | 109.5° |
| C4 | C5 | H8 | 109.4° | 109.5° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C3 | H4 | 108.9° | 109.5° |
| C2 | C3 | H5 | 108.9° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H6 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C3 | C5 | 178.6° | 180.0° |
| O4 | C4 | C3 | C2 | 21.4° | 0.0° |
| O4 | C4 | C3 | H4 | 98.9° | 120.0° |
| O4 | C4 | C3 | H5 | 141.7° | 120.0° |
| O4 | C4 | C5 | H6 | 0.0° | 90.0° |
| O4 | C4 | C5 | H7 | 120.0° | 30.0° |
| O4 | C4 | C5 | H8 | 120.0° | 150.0° |
| O2 | C2 | C3 | C4 | 5.7° | 0.0° |
| O2 | C2 | C1 | C3 | 179.4° | 180.0° |
| O2 | C2 | C1 | H1 | 0.0° | 180.0° |
| O2 | C2 | C1 | H2 | 120.0° | 60.0° |
| O2 | C2 | C1 | H3 | 120.0° | 60.0° |
| O2 | C2 | C3 | H4 | 126.0° | 120.0° |
| O2 | C2 | C3 | H5 | 114.6° | 120.0° |
| C4 | C3 | C2 | C1 | 174.9° | 180.0° |
| C4 | C3 | C2 | H4 | 120.3° | 120.0° |
| C4 | C3 | C2 | H5 | 120.3° | 120.0° |
| C4 | C3 | H4 | H5 | 119.0° | 120.0° |
| C3 | C4 | C5 | H6 | 178.6° | 90.0° |
| C3 | C4 | C5 | H7 | 61.3° | 150.0° |
| C3 | C4 | C5 | H8 | 58.7° | 30.0° |
| C5 | C4 | C3 | C2 | 160.0° | 180.0° |
| C5 | C4 | C3 | H4 | 79.7° | 60.0° |
| C5 | C4 | C3 | H5 | 39.6° | 60.0° |
| C4 | C5 | H6 | H7 | 120.0° | 120.0° |
| C4 | C5 | H6 | H8 | 120.0° | 120.0° |
| C4 | C5 | H7 | H8 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 54.5° | 60.0° |
| C1 | C2 | C3 | H5 | 64.8° | 60.0° |
| C3 | C2 | C1 | H1 | 179.4° | 0.0° |
| C3 | C2 | C1 | H2 | 60.6° | 120.0° |
| C3 | C2 | C1 | H3 | 59.4° | 120.0° |
| C2 | C3 | H4 | H5 | 118.9° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H6 | C5 | H7 | H8 | 120.0° | 120.0° |
