PH4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N3 | sing | 1.46Å | 1.46Å | |
| C2 | N3 | sing | 1.35Å | 1.46Å | |
| N3 | O3 | sing | 1.42Å | 1.41Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| O6 | C6 | sing | 1.43Å | 1.40Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O62 | P6 | sing | 1.61Å | 1.65Å | |
| O62 | HO62 | sing | 0.97Å | 0.95Å | |
| O63 | P6 | doub | 1.48Å | 1.65Å | |
| P6 | O61 | sing | 1.61Å | 1.46Å | |
| P6 | O6 | sing | 1.61Å | 1.65Å | |
| O61 | HO61 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C2 | O2 | doub | 1.21Å | 1.19Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| P1 | O1 | sing | 1.61Å | 1.65Å | |
| O12 | P1 | doub | 1.48Å | 1.65Å | |
| O13 | P1 | sing | 1.61Å | 1.65Å | |
| P1 | O11 | sing | 1.61Å | 1.46Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N3 | C2 | 120.1° | 120.0° |
| C4 | N3 | O3 | 120.0° | 120.0° |
| N3 | C4 | C5 | 109.6° | 109.5° |
| N3 | C4 | H4 | 109.4° | 109.5° |
| N3 | C4 | H4A | 109.4° | 109.5° |
| C2 | N3 | O3 | 119.9° | 120.0° |
| N3 | C2 | C1 | 120.0° | 120.0° |
| N3 | C2 | O2 | 120.0° | 120.0° |
| N3 | O3 | HO3 | 109.5° | 114.0° |
| C5 | C4 | H4 | 109.4° | 109.4° |
| C5 | C4 | H4A | 109.4° | 109.5° |
| C4 | C5 | C6 | 109.7° | 109.5° |
| C4 | C5 | H5 | 109.4° | 109.4° |
| C4 | C5 | H5A | 109.3° | 109.5° |
| H4 | C4 | H4A | 109.6° | 109.4° |
| C6 | C5 | H5 | 109.4° | 109.5° |
| C6 | C5 | H5A | 109.4° | 109.5° |
| C5 | C6 | O6 | 109.3° | 109.4° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C6 | H6A | 109.6° | 109.5° |
| H5 | C5 | H5A | 109.6° | 109.5° |
| O6 | C6 | H6 | 109.5° | 109.5° |
| O6 | C6 | H6A | 109.6° | 109.4° |
| C6 | O6 | P6 | 119.6° | 123.0° |
| H6 | C6 | H6A | 109.3° | 109.5° |
| P6 | O62 | HO62 | 109.5° | 114.0° |
| O62 | P6 | O63 | 109.5° | 109.5° |
| O62 | P6 | O61 | 109.5° | 109.5° |
| O62 | P6 | O6 | 109.4° | 109.5° |
| O63 | P6 | O61 | 109.4° | 109.5° |
| O63 | P6 | O6 | 109.5° | 109.5° |
| O61 | P6 | O6 | 109.5° | 109.5° |
| P6 | O61 | HO61 | 109.5° | 114.0° |
| C1 | C2 | O2 | 120.0° | 120.0° |
| C2 | C1 | O1 | 109.4° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H1A | 109.5° | 109.5° |
| C1 | O1 | P1 | 119.6° | 123.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| O1 | P1 | O12 | 109.5° | 109.4° |
| O1 | P1 | O13 | 109.5° | 109.4° |
| O1 | P1 | O11 | 109.6° | 109.5° |
| O12 | P1 | O13 | 109.5° | 109.5° |
| O12 | P1 | O11 | 109.4° | 109.4° |
| O13 | P1 | O11 | 109.4° | 109.5° |
| P1 | O13 | HO13 | 109.5° | 114.0° |
| P1 | O11 | HO11 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N3 | C2 | O3 | 179.9° | 179.7° |
| N3 | C4 | C5 | H4 | 120.0° | 120.0° |
| N3 | C4 | C5 | H4A | 119.9° | 120.0° |
| N3 | C4 | H4 | H4A | 119.9° | 120.0° |
| N3 | C4 | C5 | C6 | 174.6° | 180.0° |
| N3 | C4 | C5 | H5 | 54.6° | 60.1° |
| N3 | C4 | C5 | H5A | 65.5° | 60.0° |
| C4 | N3 | O3 | HO3 | 33.3° | 179.9° |
| C4 | N3 | C2 | C1 | 0.1° | 179.7° |
| C4 | N3 | C2 | O2 | 180.0° | 0.3° |
| C2 | N3 | C4 | C5 | 121.7° | 74.8° |
| C2 | N3 | C4 | H4 | 1.7° | 165.3° |
| C2 | N3 | C4 | H4A | 118.3° | 45.3° |
| C2 | N3 | O3 | HO3 | 146.6° | 0.3° |
| N3 | C2 | C1 | O2 | 180.0° | 180.0° |
| N3 | C2 | C1 | O1 | 170.9° | 180.0° |
| N3 | C2 | C1 | H1 | 51.0° | 60.0° |
| N3 | C2 | C1 | H1A | 69.1° | 60.0° |
| O3 | N3 | C4 | C5 | 58.4° | 105.0° |
| O3 | N3 | C4 | H4 | 178.4° | 15.0° |
| O3 | N3 | C4 | H4A | 61.6° | 135.0° |
| O3 | N3 | C2 | C1 | 180.0° | 0.0° |
| O3 | N3 | C2 | O2 | 0.1° | 180.0° |
| C5 | C4 | H4 | H4A | 120.0° | 120.0° |
| C4 | C5 | C6 | H5 | 120.0° | 119.9° |
| C4 | C5 | C6 | H5A | 119.9° | 120.0° |
| C4 | C5 | H5 | H5A | 119.9° | 120.0° |
| C4 | C5 | C6 | O6 | 129.5° | 180.0° |
| C4 | C5 | C6 | H6 | 9.5° | 60.0° |
| C4 | C5 | C6 | H6A | 110.4° | 60.0° |
| H4 | C4 | C5 | C6 | 65.4° | 60.0° |
| H4 | C4 | C5 | H5 | 174.6° | 179.9° |
| H4 | C4 | C5 | H5A | 54.5° | 60.0° |
| H4A | C4 | C5 | C6 | 54.7° | 60.0° |
| H4A | C4 | C5 | H5 | 65.3° | 60.0° |
| H4A | C4 | C5 | H5A | 174.6° | 180.0° |
| C6 | C5 | H5 | H5A | 119.9° | 120.0° |
| C5 | C6 | O6 | H6 | 120.0° | 120.0° |
| C5 | C6 | O6 | H6A | 120.1° | 120.0° |
| C5 | C6 | H6 | H6A | 120.1° | 120.0° |
| C5 | C6 | O6 | P6 | 172.6° | 180.0° |
| H5 | C5 | C6 | O6 | 110.5° | 60.0° |
| H5 | C5 | C6 | H6 | 129.5° | 179.9° |
| H5 | C5 | C6 | H6A | 9.6° | 59.9° |
| H5A | C5 | C6 | O6 | 9.6° | 60.0° |
| H5A | C5 | C6 | H6 | 110.4° | 60.0° |
| H5A | C5 | C6 | H6A | 129.7° | 180.0° |
| O6 | C6 | H6 | H6A | 120.1° | 120.0° |
| C6 | O6 | P6 | O62 | 7.9° | 175.0° |
| C6 | O6 | P6 | O63 | 127.9° | 55.1° |
| C6 | O6 | P6 | O61 | 112.1° | 64.9° |
| H6 | C6 | O6 | P6 | 67.4° | 60.0° |
| H6A | C6 | O6 | P6 | 52.5° | 60.1° |
| O62 | P6 | O63 | O61 | 120.0° | 120.0° |
| O62 | P6 | O63 | O6 | 120.0° | 120.0° |
| O62 | P6 | O61 | O6 | 120.0° | 120.0° |
| O62 | P6 | O61 | HO61 | 92.8° | 59.9° |
| HO62 | O62 | P6 | O63 | 7.4° | 60.0° |
| HO62 | O62 | P6 | O61 | 112.5° | 60.0° |
| HO62 | O62 | P6 | O6 | 127.4° | 180.0° |
| O63 | P6 | O61 | O6 | 120.0° | 120.0° |
| O63 | P6 | O61 | HO61 | 147.2° | 179.9° |
| O6 | P6 | O61 | HO61 | 27.2° | 60.1° |
| C2 | C1 | O1 | H1 | 120.0° | 120.0° |
| C2 | C1 | O1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | O1 | P1 | 177.4° | 180.0° |
| O2 | C2 | C1 | O1 | 9.1° | 0.0° |
| O2 | C2 | C1 | H1 | 129.1° | 120.0° |
| O2 | C2 | C1 | H1A | 110.9° | 120.0° |
| O1 | C1 | H1 | H1A | 120.0° | 120.0° |
| C1 | O1 | P1 | O12 | 45.6° | 55.0° |
| C1 | O1 | P1 | O13 | 74.4° | 175.0° |
| C1 | O1 | P1 | O11 | 165.6° | 64.9° |
| H1 | C1 | O1 | P1 | 57.4° | 60.0° |
| H1A | C1 | O1 | P1 | 62.6° | 60.0° |
| O1 | P1 | O12 | O13 | 120.0° | 120.0° |
| O1 | P1 | O12 | O11 | 120.1° | 120.0° |
| O1 | P1 | O13 | O11 | 120.1° | 120.0° |
| O1 | P1 | O13 | HO13 | 171.3° | 179.9° |
| O1 | P1 | O11 | HO11 | 10.7° | 60.1° |
| O12 | P1 | O13 | O11 | 119.9° | 120.0° |
| O12 | P1 | O13 | HO13 | 51.3° | 60.0° |
| O12 | P1 | O11 | HO11 | 130.7° | 180.0° |
| O13 | P1 | O11 | HO11 | 109.3° | 59.9° |
| O11 | P1 | O13 | HO13 | 68.6° | 60.1° |
