P2O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | sing | 1.54Å | 1.54Å | |
| C13 | O12 | sing | 1.46Å | 1.45Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C9 | C8 | sing | 1.47Å | 1.47Å | |
| C9 | N10 | sing | 1.47Å | 1.46Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C11 | O11 | doub | 1.22Å | 1.23Å | |
| C11 | N10 | sing | 1.34Å | 1.34Å | |
| C11 | O12 | sing | 1.34Å | 1.37Å | |
| C8 | C7 | trip | 1.17Å | 1.22Å | |
| C7 | H7 | sing | 1.05Å | 1.06Å | |
| C14 | N10 | sing | 1.47Å | 1.46Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | O12 | 105.9° | 104.0° |
| C14 | C13 | H131 | 111.5° | 110.4° |
| C14 | C13 | H132 | 110.7° | 110.5° |
| C13 | C14 | N10 | 100.8° | 103.7° |
| C13 | C14 | H141 | 114.3° | 110.6° |
| C13 | C14 | H142 | 112.5° | 110.6° |
| O12 | C13 | H131 | 111.4° | 110.5° |
| O12 | C13 | H132 | 110.6° | 110.6° |
| C13 | O12 | C11 | 108.7° | 109.5° |
| H131 | C13 | H132 | 106.8° | 110.6° |
| C8 | C9 | N10 | 110.9° | 109.4° |
| C8 | C9 | H91 | 108.7° | 109.5° |
| C8 | C9 | H92 | 109.0° | 109.5° |
| C9 | C8 | C7 | 162.9° | 180.0° |
| N10 | C9 | H91 | 108.7° | 109.5° |
| N10 | C9 | H92 | 109.0° | 109.5° |
| C9 | N10 | C11 | 127.4° | 125.5° |
| C9 | N10 | C14 | 119.6° | 125.5° |
| H91 | C9 | H92 | 110.6° | 109.5° |
| O11 | C11 | N10 | 124.3° | 123.1° |
| O11 | C11 | O12 | 125.9° | 123.1° |
| N10 | C11 | O12 | 109.9° | 113.8° |
| C11 | N10 | C14 | 112.9° | 108.9° |
| C8 | C7 | H7 | 180.0° | 179.9° |
| N10 | C14 | H141 | 114.3° | 110.8° |
| N10 | C14 | H142 | 112.5° | 110.4° |
| H141 | C14 | H142 | 103.0° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | O12 | H131 | 121.4° | 118.6° |
| C14 | C13 | O12 | H132 | 120.0° | 118.7° |
| C14 | C13 | H131 | H132 | 121.0° | 122.6° |
| C13 | C14 | N10 | C9 | 177.1° | 180.0° |
| C13 | C14 | N10 | C11 | 1.3° | 0.4° |
| C14 | C13 | O12 | C11 | 13.7° | 0.1° |
| C13 | C14 | N10 | H141 | 123.0° | 118.7° |
| C13 | C14 | N10 | H142 | 120.0° | 118.4° |
| C13 | C14 | H141 | H142 | 122.3° | 122.8° |
| O12 | C13 | H131 | H132 | 120.9° | 122.8° |
| C13 | O12 | C11 | O11 | 164.7° | 180.0° |
| C13 | O12 | C11 | N10 | 13.3° | 0.2° |
| O12 | C13 | C14 | N10 | 8.8° | 0.3° |
| O12 | C13 | C14 | H141 | 131.9° | 118.6° |
| O12 | C13 | C14 | H142 | 111.1° | 118.6° |
| H131 | C13 | O12 | C11 | 135.1° | 118.6° |
| H131 | C13 | C14 | N10 | 130.2° | 118.9° |
| H131 | C13 | C14 | H141 | 106.8° | 0.1° |
| H131 | C13 | C14 | H142 | 10.2° | 122.8° |
| H132 | C13 | O12 | C11 | 106.3° | 118.6° |
| H132 | C13 | C14 | N10 | 111.1° | 118.4° |
| H132 | C13 | C14 | H141 | 11.9° | 122.7° |
| H132 | C13 | C14 | H142 | 128.9° | 0.1° |
| C8 | C9 | N10 | H91 | 119.4° | 120.0° |
| C8 | C9 | N10 | H92 | 120.0° | 120.0° |
| C8 | C9 | H91 | H92 | 119.7° | 120.0° |
| C8 | C9 | N10 | C11 | 111.2° | 90.4° |
| C9 | C8 | C7 | H7 | 36.6° | 126.1° |
| C8 | C9 | N10 | C14 | 70.6° | 90.0° |
| N10 | C9 | H91 | H92 | 119.6° | 120.0° |
| C9 | N10 | C11 | O11 | 7.6° | 0.2° |
| C9 | N10 | C11 | C14 | 178.2° | 179.6° |
| C9 | N10 | C11 | O12 | 174.4° | 180.0° |
| N10 | C9 | C8 | C7 | 64.3° | 161.6° |
| C9 | N10 | C14 | H141 | 54.1° | 61.3° |
| C9 | N10 | C14 | H142 | 62.9° | 61.6° |
| H91 | C9 | N10 | C11 | 129.3° | 29.6° |
| H91 | C9 | C8 | C7 | 176.3° | 41.6° |
| H91 | C9 | N10 | C14 | 48.8° | 150.0° |
| H92 | C9 | N10 | C11 | 8.8° | 149.6° |
| H92 | C9 | C8 | C7 | 55.7° | 78.4° |
| H92 | C9 | N10 | C14 | 169.4° | 29.9° |
| O11 | C11 | N10 | O12 | 178.0° | 179.8° |
| O11 | C11 | N10 | C14 | 170.7° | 179.8° |
| C11 | N10 | C14 | H141 | 124.3° | 118.3° |
| C11 | N10 | C14 | H142 | 118.7° | 118.8° |
| O12 | C11 | N10 | C14 | 7.3° | 0.4° |
| N10 | C14 | H141 | H142 | 122.3° | 122.7° |
