P3P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OTP | CP | sing | 1.34Å | 1.26Å | |
| OTP | HTP | sing | 0.97Å | 0.95Å | |
| CP | OP | doub | 1.21Å | 1.27Å | |
| CP | CAP | sing | 1.51Å | 1.51Å | |
| CAP | NP | sing | 1.47Å | 1.49Å | |
| CAP | CBP | sing | 1.53Å | 1.54Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| NP | HNP1 | sing | 1.01Å | 1.00Å | |
| NP | HNP2 | sing | 1.01Å | 1.00Å | |
| CBP | CGP | sing | 1.53Å | 1.50Å | |
| CBP | HBP1 | sing | 1.09Å | 1.10Å | |
| CBP | HBP2 | sing | 1.09Å | 1.10Å | |
| CGP | PDP | sing | 1.82Å | 1.69Å | |
| CGP | HGP1 | sing | 1.09Å | 1.10Å | |
| CGP | HGP2 | sing | 1.09Å | 1.10Å | |
| PDP | OEA | doub | 1.48Å | 1.61Å | |
| PDP | CEP | sing | 1.82Å | 1.73Å | |
| PDP | OEB | sing | 1.61Å | 1.59Å | |
| CEP | HEP1 | sing | 1.09Å | 1.10Å | |
| CEP | HEP2 | sing | 1.09Å | 1.10Å | |
| CEP | HEP3 | sing | 1.09Å | 1.10Å | |
| OEB | P12 | sing | 1.61Å | 1.59Å | |
| P12 | O15 | doub | 1.48Å | 1.50Å | |
| P12 | O13 | sing | 1.61Å | 1.50Å | |
| P12 | O14 | sing | 1.61Å | 1.51Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| O14 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CP | OTP | HTP | 109.5° | 120.0° |
| OTP | CP | OP | 125.2° | 120.0° |
| OTP | CP | CAP | 118.6° | 120.0° |
| OP | CP | CAP | 116.2° | 120.0° |
| CP | CAP | NP | 115.9° | 109.5° |
| CP | CAP | CBP | 107.2° | 109.5° |
| CP | CAP | HAP | 108.1° | 109.5° |
| NP | CAP | CBP | 113.4° | 109.5° |
| NP | CAP | HAP | 101.2° | 109.5° |
| CAP | NP | HNP1 | 109.5° | 106.7° |
| CAP | NP | HNP2 | 109.5° | 106.7° |
| CBP | CAP | HAP | 110.9° | 109.4° |
| CAP | CBP | CGP | 106.1° | 109.5° |
| CAP | CBP | HBP1 | 111.4° | 109.5° |
| CAP | CBP | HBP2 | 110.6° | 109.4° |
| HNP1 | NP | HNP2 | 109.4° | 106.8° |
| CGP | CBP | HBP1 | 111.4° | 109.5° |
| CGP | CBP | HBP2 | 110.6° | 109.5° |
| CBP | CGP | PDP | 117.2° | 109.4° |
| CBP | CGP | HGP1 | 105.2° | 109.5° |
| CBP | CGP | HGP2 | 106.9° | 109.5° |
| HBP1 | CBP | HBP2 | 106.9° | 109.4° |
| PDP | CGP | HGP1 | 105.1° | 109.5° |
| PDP | CGP | HGP2 | 107.0° | 109.4° |
| CGP | PDP | OEA | 102.3° | 109.5° |
| CGP | PDP | CEP | 108.7° | 109.4° |
| CGP | PDP | OEB | 103.5° | 109.5° |
| HGP1 | CGP | HGP2 | 115.8° | 109.5° |
| OEA | PDP | CEP | 115.4° | 109.5° |
| OEA | PDP | OEB | 110.3° | 109.5° |
| CEP | PDP | OEB | 115.1° | 109.5° |
| PDP | CEP | HEP1 | 109.5° | 109.5° |
| PDP | CEP | HEP2 | 109.5° | 109.5° |
| PDP | CEP | HEP3 | 109.5° | 109.5° |
| PDP | OEB | P12 | 116.2° | 106.8° |
| HEP1 | CEP | HEP2 | 109.5° | 109.5° |
| HEP1 | CEP | HEP3 | 109.4° | 109.4° |
| HEP2 | CEP | HEP3 | 109.4° | 109.5° |
| OEB | P12 | O15 | 99.6° | 109.4° |
| OEB | P12 | O13 | 106.5° | 109.5° |
| OEB | P12 | O14 | 103.2° | 109.5° |
| O15 | P12 | O13 | 113.2° | 109.4° |
| O15 | P12 | O14 | 113.0° | 109.5° |
| O13 | P12 | O14 | 118.5° | 109.5° |
| P12 | O13 | H13 | 109.5° | 106.8° |
| P12 | O14 | H14 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OTP | CP | OP | CAP | 178.2° | 179.9° |
| OTP | CP | CAP | NP | 44.5° | 160.0° |
| OTP | CP | CAP | CBP | 172.2° | 80.0° |
| OTP | CP | CAP | HAP | 68.1° | 39.9° |
| HTP | OTP | CP | OP | 0.0° | 0.1° |
| HTP | OTP | CP | CAP | 178.1° | 180.0° |
| OP | CP | CAP | NP | 137.2° | 20.0° |
| OP | CP | CAP | CBP | 9.5° | 100.1° |
| OP | CP | CAP | HAP | 110.1° | 140.0° |
| CP | CAP | NP | CBP | 124.6° | 120.0° |
| CP | CAP | NP | HAP | 116.6° | 120.0° |
| CP | CAP | CBP | HAP | 117.8° | 120.0° |
| CP | CAP | NP | HNP1 | 32.4° | 59.9° |
| CP | CAP | NP | HNP2 | 152.3° | 173.8° |
| CP | CAP | CBP | CGP | 163.2° | 175.0° |
| CP | CAP | CBP | HBP1 | 41.9° | 54.9° |
| CP | CAP | CBP | HBP2 | 76.8° | 65.0° |
| NP | CAP | CBP | HAP | 113.0° | 120.0° |
| CAP | NP | HNP1 | HNP2 | 120.0° | 113.8° |
| NP | CAP | CBP | CGP | 67.6° | 64.9° |
| NP | CAP | CBP | HBP1 | 171.1° | 175.0° |
| NP | CAP | CBP | HBP2 | 52.3° | 55.1° |
| CBP | CAP | NP | HNP1 | 157.0° | 60.1° |
| CBP | CAP | NP | HNP2 | 83.0° | 53.8° |
| CAP | CBP | CGP | HBP1 | 121.3° | 120.1° |
| CAP | CBP | CGP | HBP2 | 120.0° | 120.0° |
| CAP | CBP | HBP1 | HBP2 | 120.9° | 120.0° |
| CAP | CBP | CGP | PDP | 136.9° | 180.0° |
| CAP | CBP | CGP | HGP1 | 106.7° | 60.0° |
| CAP | CBP | CGP | HGP2 | 16.9° | 60.1° |
| HAP | CAP | NP | HNP1 | 84.2° | 179.9° |
| HAP | CAP | NP | HNP2 | 35.7° | 66.2° |
| HAP | CAP | CBP | CGP | 45.4° | 55.1° |
| HAP | CAP | CBP | HBP1 | 75.9° | 65.0° |
| HAP | CAP | CBP | HBP2 | 165.4° | 175.0° |
| CGP | CBP | HBP1 | HBP2 | 120.9° | 120.0° |
| CBP | CGP | PDP | HGP1 | 116.4° | 120.0° |
| CBP | CGP | PDP | HGP2 | 120.0° | 120.0° |
| CBP | CGP | HGP1 | HGP2 | 117.8° | 120.0° |
| CBP | CGP | PDP | OEA | 56.6° | 55.0° |
| CBP | CGP | PDP | CEP | 179.2° | 175.0° |
| CBP | CGP | PDP | OEB | 58.1° | 65.0° |
| HBP1 | CBP | CGP | PDP | 15.6° | 59.9° |
| HBP1 | CBP | CGP | HGP1 | 132.0° | 179.9° |
| HBP1 | CBP | CGP | HGP2 | 104.4° | 60.0° |
| HBP2 | CBP | CGP | PDP | 103.1° | 60.0° |
| HBP2 | CBP | CGP | HGP1 | 13.2° | 60.0° |
| HBP2 | CBP | CGP | HGP2 | 136.9° | 180.0° |
| PDP | CGP | HGP1 | HGP2 | 117.8° | 120.0° |
| CGP | PDP | OEA | CEP | 117.9° | 120.0° |
| CGP | PDP | OEA | OEB | 109.6° | 120.0° |
| CGP | PDP | CEP | OEB | 115.5° | 120.0° |
| CGP | PDP | CEP | HEP1 | 92.6° | 60.0° |
| CGP | PDP | CEP | HEP2 | 27.5° | 60.0° |
| CGP | PDP | CEP | HEP3 | 147.4° | 180.0° |
| CGP | PDP | OEB | P12 | 121.3° | 180.0° |
| HGP1 | CGP | PDP | OEA | 173.0° | 175.0° |
| HGP1 | CGP | PDP | CEP | 64.4° | 65.0° |
| HGP1 | CGP | PDP | OEB | 58.3° | 55.0° |
| HGP2 | CGP | PDP | OEA | 63.4° | 65.0° |
| HGP2 | CGP | PDP | CEP | 59.2° | 55.0° |
| HGP2 | CGP | PDP | OEB | 178.0° | 175.0° |
| OEA | PDP | CEP | OEB | 130.2° | 120.0° |
| OEA | PDP | CEP | HEP1 | 153.2° | 60.0° |
| OEA | PDP | CEP | HEP2 | 86.8° | 180.0° |
| OEA | PDP | CEP | HEP3 | 33.2° | 60.0° |
| OEA | PDP | OEB | P12 | 129.8° | 60.1° |
| PDP | CEP | HEP1 | HEP2 | 120.0° | 120.0° |
| PDP | CEP | HEP1 | HEP3 | 120.0° | 120.0° |
| PDP | CEP | HEP2 | HEP3 | 120.0° | 120.0° |
| CEP | PDP | OEB | P12 | 2.9° | 60.0° |
| OEB | PDP | CEP | HEP1 | 23.0° | 180.0° |
| OEB | PDP | CEP | HEP2 | 143.0° | 60.0° |
| OEB | PDP | CEP | HEP3 | 97.0° | 60.0° |
| PDP | OEB | P12 | O15 | 131.6° | 40.0° |
| PDP | OEB | P12 | O13 | 13.7° | 79.9° |
| PDP | OEB | P12 | O14 | 111.8° | 160.0° |
| HEP1 | CEP | HEP2 | HEP3 | 120.0° | 120.0° |
| OEB | P12 | O15 | O13 | 112.7° | 120.0° |
| OEB | P12 | O15 | O14 | 108.9° | 120.0° |
| OEB | P12 | O13 | O14 | 115.6° | 120.1° |
| OEB | P12 | O13 | H13 | 91.5° | 60.0° |
| OEB | P12 | O14 | H14 | 62.0° | 180.0° |
| O15 | P12 | O13 | O14 | 135.9° | 120.0° |
| O15 | P12 | O13 | H13 | 160.0° | 180.0° |
| O15 | P12 | O14 | H14 | 44.7° | 60.0° |
| O13 | P12 | O14 | H14 | 179.4° | 60.0° |
| O14 | P12 | O13 | H13 | 24.1° | 60.0° |
