HI5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | sing | 1.72Å | 1.63Å | |
| P | O2P | sing | 1.72Å | 1.65Å | |
| P | O3P | sing | 1.72Å | 1.71Å | |
| P | O4P | sing | 1.72Å | 1.96Å | |
| P | O5P | sing | 1.72Å | 1.85Å | |
| O1P | H1P | sing | 0.97Å | 0.95Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| O3P | C1 | sing | 1.43Å | 1.44Å | |
| O4P | H4P | sing | 0.97Å | 0.95Å | |
| O5P | H5P | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | H1C1 | sing | 1.09Å | 1.12Å | |
| C1 | H1C2 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | O2 | sing | 1.45Å | 1.45Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | O3 | sing | 1.45Å | 1.44Å | |
| C3 | H3C1 | sing | 1.09Å | 1.11Å | |
| C3 | H3C2 | sing | 1.09Å | 1.11Å | |
| O3 | C11 | sing | 1.34Å | 1.47Å | |
| C11 | O11 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C14 | H143 | sing | 1.09Å | 1.12Å | |
| O2 | C31 | sing | 1.34Å | 1.46Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C31 | O31 | doub | 1.21Å | 1.22Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C34 | H343 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 122.1° | 90.0° |
| O1P | P | O3P | 116.0° | 90.0° |
| O1P | P | O4P | 81.7° | 120.0° |
| O1P | P | O5P | 99.0° | 120.0° |
| P | O1P | H1P | 122.1° | 106.9° |
| O2P | P | O3P | 120.2° | 180.0° |
| O2P | P | O4P | 91.7° | 90.0° |
| O2P | P | O5P | 93.5° | 90.0° |
| P | O2P | H2P | 122.1° | 106.8° |
| O3P | P | O4P | 83.4° | 90.0° |
| O3P | P | O5P | 90.4° | 90.0° |
| P | O3P | C1 | 123.8° | 106.8° |
| O4P | P | O5P | 173.4° | 120.0° |
| P | O4P | H4P | 81.7° | 106.9° |
| P | O5P | H5P | 98.9° | 106.8° |
| O3P | C1 | C2 | 115.6° | 109.5° |
| O3P | C1 | H1C1 | 110.0° | 109.5° |
| O3P | C1 | H1C2 | 110.0° | 109.5° |
| C2 | C1 | H1C1 | 109.9° | 109.5° |
| C2 | C1 | H1C2 | 110.0° | 109.4° |
| C1 | C2 | C3 | 109.7° | 109.5° |
| C1 | C2 | O2 | 108.2° | 109.5° |
| C1 | C2 | H2 | 107.0° | 109.5° |
| H1C1 | C1 | H1C2 | 100.3° | 109.5° |
| C3 | C2 | O2 | 117.4° | 109.4° |
| C3 | C2 | H2 | 107.0° | 109.5° |
| C2 | C3 | O3 | 116.9° | 109.5° |
| C2 | C3 | H3C1 | 109.5° | 109.5° |
| C2 | C3 | H3C2 | 109.5° | 109.5° |
| O2 | C2 | H2 | 107.0° | 109.5° |
| C2 | O2 | C31 | 118.5° | 119.9° |
| O3 | C3 | H3C1 | 109.6° | 109.5° |
| O3 | C3 | H3C2 | 109.5° | 109.5° |
| C3 | O3 | C11 | 118.9° | 120.0° |
| H3C1 | C3 | H3C2 | 100.6° | 109.5° |
| O3 | C11 | O11 | 120.0° | 120.0° |
| O3 | C11 | C12 | 120.9° | 120.0° |
| O11 | C11 | C12 | 119.1° | 120.0° |
| C11 | C12 | C13 | 112.0° | 109.5° |
| C11 | C12 | H121 | 111.3° | 109.5° |
| C11 | C12 | H122 | 111.3° | 109.4° |
| C13 | C12 | H121 | 111.3° | 109.5° |
| C13 | C12 | H122 | 111.3° | 109.5° |
| C12 | C13 | C14 | 113.0° | 109.5° |
| C12 | C13 | H131 | 110.9° | 109.5° |
| C12 | C13 | H132 | 110.9° | 109.5° |
| H121 | C12 | H122 | 99.1° | 109.5° |
| C14 | C13 | H131 | 110.9° | 109.5° |
| C14 | C13 | H132 | 110.9° | 109.5° |
| C13 | C14 | H141 | 113.0° | 109.4° |
| C13 | C14 | H142 | 110.9° | 109.5° |
| C13 | C14 | H143 | 110.9° | 109.5° |
| H131 | C13 | H132 | 99.4° | 109.5° |
| H141 | C14 | H142 | 110.9° | 109.5° |
| H141 | C14 | H143 | 110.9° | 109.5° |
| H142 | C14 | H143 | 99.4° | 109.5° |
| O2 | C31 | C32 | 118.6° | 119.9° |
| O2 | C31 | O31 | 118.9° | 120.1° |
| C32 | C31 | O31 | 122.5° | 120.0° |
| C31 | C32 | C33 | 112.3° | 109.4° |
| C31 | C32 | H321 | 111.2° | 109.5° |
| C31 | C32 | H322 | 111.2° | 109.5° |
| C33 | C32 | H321 | 111.2° | 109.5° |
| C33 | C32 | H322 | 111.2° | 109.5° |
| C32 | C33 | C34 | 112.0° | 109.5° |
| C32 | C33 | H331 | 111.3° | 109.5° |
| C32 | C33 | H332 | 111.3° | 109.5° |
| H321 | C32 | H322 | 99.2° | 109.5° |
| C34 | C33 | H331 | 111.3° | 109.4° |
| C34 | C33 | H332 | 111.2° | 109.4° |
| C33 | C34 | H341 | 112.0° | 109.5° |
| C33 | C34 | H342 | 111.3° | 109.4° |
| C33 | C34 | H343 | 111.2° | 109.5° |
| H331 | C33 | H332 | 99.1° | 109.5° |
| H341 | C34 | H342 | 111.3° | 109.5° |
| H341 | C34 | H343 | 111.3° | 109.5° |
| H342 | C34 | H343 | 99.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 164.6° | 54.9° |
| O1P | P | O2P | O4P | 81.2° | 120.0° |
| O1P | P | O2P | O5P | 102.9° | 120.0° |
| O1P | P | O3P | O4P | 77.4° | 120.0° |
| O1P | P | O3P | O5P | 100.2° | 120.0° |
| O1P | P | O4P | O5P | 95.9° | 180.0° |
| O1P | P | O2P | H2P | 180.0° | 180.0° |
| O1P | P | O3P | C1 | 175.7° | 180.0° |
| O1P | P | O4P | H4P | 180.0° | 0.0° |
| O1P | P | O5P | H5P | 180.0° | 0.0° |
| O2P | P | O3P | O4P | 88.1° | 174.9° |
| O2P | P | O3P | O5P | 94.3° | 65.1° |
| O2P | P | O4P | O5P | 141.8° | 90.0° |
| O2P | P | O1P | H1P | 180.0° | 0.0° |
| O2P | P | O3P | C1 | 10.2° | 125.1° |
| O2P | P | O4P | H4P | 57.8° | 90.0° |
| O2P | P | O5P | H5P | 56.7° | 89.9° |
| O3P | P | O4P | O5P | 21.6° | 90.0° |
| O3P | P | O1P | H1P | 14.8° | 180.0° |
| O3P | P | O2P | H2P | 15.4° | 125.1° |
| O3P | P | O4P | H4P | 62.5° | 90.0° |
| O3P | P | O5P | H5P | 63.6° | 90.0° |
| P | O3P | C1 | C2 | 132.7° | 180.0° |
| P | O3P | C1 | H1C1 | 7.5° | 60.0° |
| P | O3P | C1 | H1C2 | 102.1° | 60.1° |
| O4P | P | O1P | H1P | 93.2° | 90.0° |
| O4P | P | O2P | H2P | 98.8° | 60.0° |
| O4P | P | O3P | C1 | 98.3° | 60.0° |
| O4P | P | O5P | H5P | 85.0° | 179.9° |
| O5P | P | O1P | H1P | 80.1° | 90.0° |
| O5P | P | O2P | H2P | 77.2° | 60.0° |
| O5P | P | O3P | C1 | 84.2° | 60.1° |
| O5P | P | O4P | H4P | 84.0° | 180.0° |
| O3P | C1 | C2 | H1C1 | 125.3° | 120.0° |
| O3P | C1 | C2 | H1C2 | 125.3° | 120.0° |
| O3P | C1 | H1C1 | H1C2 | 115.8° | 120.0° |
| O3P | C1 | C2 | C3 | 34.0° | 55.0° |
| O3P | C1 | C2 | O2 | 163.2° | 64.9° |
| O3P | C1 | C2 | H2 | 81.7° | 175.1° |
| C2 | C1 | H1C1 | H1C2 | 115.8° | 119.9° |
| C1 | C2 | C3 | O2 | 124.0° | 120.0° |
| C1 | C2 | C3 | H2 | 115.8° | 120.0° |
| C1 | C2 | O2 | H2 | 115.0° | 120.0° |
| C1 | C2 | C3 | O3 | 56.7° | 55.0° |
| C1 | C2 | C3 | H3C1 | 68.6° | 65.0° |
| C1 | C2 | C3 | H3C2 | 178.0° | 175.0° |
| C1 | C2 | O2 | C31 | 102.3° | 90.0° |
| H1C1 | C1 | C2 | C3 | 159.3° | 65.0° |
| H1C1 | C1 | C2 | O2 | 71.5° | 175.0° |
| H1C1 | C1 | C2 | H2 | 43.6° | 55.0° |
| H1C2 | C1 | C2 | C3 | 91.2° | 175.0° |
| H1C2 | C1 | C2 | O2 | 38.0° | 55.0° |
| H1C2 | C1 | C2 | H2 | 153.0° | 65.0° |
| C3 | C2 | O2 | H2 | 120.2° | 120.0° |
| C2 | C3 | O3 | H3C1 | 125.3° | 120.0° |
| C2 | C3 | O3 | H3C2 | 125.3° | 120.0° |
| C2 | C3 | H3C1 | H3C2 | 115.3° | 120.0° |
| C2 | C3 | O3 | C11 | 171.8° | 180.0° |
| C3 | C2 | O2 | C31 | 22.5° | 150.0° |
| O2 | C2 | C3 | O3 | 67.3° | 65.0° |
| O2 | C2 | C3 | H3C1 | 167.4° | 175.0° |
| O2 | C2 | C3 | H3C2 | 58.0° | 55.0° |
| C2 | O2 | C31 | C32 | 91.0° | 180.0° |
| C2 | O2 | C31 | O31 | 90.8° | 0.0° |
| H2 | C2 | C3 | O3 | 172.5° | 175.0° |
| H2 | C2 | C3 | H3C1 | 47.2° | 55.0° |
| H2 | C2 | C3 | H3C2 | 62.2° | 65.0° |
| H2 | C2 | O2 | C31 | 142.7° | 30.0° |
| O3 | C3 | H3C1 | H3C2 | 115.3° | 120.0° |
| C3 | O3 | C11 | O11 | 167.8° | 0.0° |
| C3 | O3 | C11 | C12 | 11.7° | 180.0° |
| H3C1 | C3 | O3 | C11 | 62.9° | 60.0° |
| H3C2 | C3 | O3 | C11 | 46.6° | 60.0° |
| O3 | C11 | O11 | C12 | 179.5° | 179.9° |
| O3 | C11 | C12 | C13 | 176.3° | 180.0° |
| O3 | C11 | C12 | H121 | 58.4° | 60.0° |
| O3 | C11 | C12 | H122 | 51.0° | 60.0° |
| O11 | C11 | C12 | C13 | 4.2° | 0.0° |
| O11 | C11 | C12 | H121 | 121.1° | 120.0° |
| O11 | C11 | C12 | H122 | 129.4° | 120.0° |
| C11 | C12 | C13 | H121 | 125.3° | 120.0° |
| C11 | C12 | C13 | H122 | 125.2° | 120.0° |
| C11 | C12 | H121 | H122 | 117.2° | 120.0° |
| C11 | C12 | C13 | C14 | 74.7° | 180.0° |
| C11 | C12 | C13 | H131 | 160.0° | 60.0° |
| C11 | C12 | C13 | H132 | 50.6° | 60.0° |
| C13 | C12 | H121 | H122 | 117.2° | 120.0° |
| C12 | C13 | C14 | H131 | 125.3° | 120.0° |
| C12 | C13 | C14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 116.8° | 120.0° |
| C12 | C13 | C14 | H141 | 180.0° | 180.0° |
| C12 | C13 | C14 | H142 | 54.7° | 60.0° |
| C12 | C13 | C14 | H143 | 54.7° | 60.0° |
| H121 | C12 | C13 | C14 | 50.5° | 60.0° |
| H121 | C12 | C13 | H131 | 74.7° | 180.0° |
| H121 | C12 | C13 | H132 | 175.8° | 60.0° |
| H122 | C12 | C13 | C14 | 160.0° | 60.0° |
| H122 | C12 | C13 | H131 | 34.8° | 60.0° |
| H122 | C12 | C13 | H132 | 74.7° | 180.0° |
| C14 | C13 | H131 | H132 | 116.8° | 120.0° |
| C13 | C14 | H141 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H143 | 125.3° | 120.0° |
| C13 | C14 | H142 | H143 | 116.8° | 120.0° |
| H131 | C13 | C14 | H141 | 54.7° | 60.0° |
| H131 | C13 | C14 | H142 | 180.0° | 60.0° |
| H131 | C13 | C14 | H143 | 70.5° | 180.0° |
| H132 | C13 | C14 | H141 | 54.7° | 60.0° |
| H132 | C13 | C14 | H142 | 70.5° | 180.0° |
| H132 | C13 | C14 | H143 | NaN° | 60.0° |
| H141 | C14 | H142 | H143 | 116.8° | 120.0° |
| O2 | C31 | C32 | O31 | 178.1° | 180.0° |
| O2 | C31 | C32 | C33 | 144.2° | 180.0° |
| O2 | C31 | C32 | H321 | 18.9° | 60.0° |
| O2 | C31 | C32 | H322 | 90.5° | 60.0° |
| C31 | C32 | C33 | H321 | 125.3° | 119.9° |
| C31 | C32 | C33 | H322 | 125.3° | 120.0° |
| C31 | C32 | H321 | H322 | 117.1° | 120.0° |
| C31 | C32 | C33 | C34 | 154.0° | 180.0° |
| C31 | C32 | C33 | H331 | 80.8° | 60.1° |
| C31 | C32 | C33 | H332 | 28.7° | 60.0° |
| O31 | C31 | C32 | C33 | 37.7° | 0.0° |
| O31 | C31 | C32 | H321 | 163.0° | 120.0° |
| O31 | C31 | C32 | H322 | 87.6° | 120.0° |
| C33 | C32 | H321 | H322 | 117.0° | 120.0° |
| C32 | C33 | C34 | H331 | 125.3° | 120.0° |
| C32 | C33 | C34 | H332 | 125.2° | 120.1° |
| C32 | C33 | H331 | H332 | 117.2° | 120.1° |
| C32 | C33 | C34 | H341 | 180.0° | 180.0° |
| C32 | C33 | C34 | H342 | 54.7° | 60.0° |
| C32 | C33 | C34 | H343 | 54.8° | 59.9° |
| H321 | C32 | C33 | C34 | 28.7° | 60.1° |
| H321 | C32 | C33 | H331 | 153.9° | 180.0° |
| H321 | C32 | C33 | H332 | 96.6° | 59.9° |
| H322 | C32 | C33 | C34 | 80.8° | 60.0° |
| H322 | C32 | C33 | H331 | 44.5° | 59.9° |
| H322 | C32 | C33 | H332 | 154.0° | 180.0° |
| C34 | C33 | H331 | H332 | 117.1° | 119.9° |
| C33 | C34 | H341 | H342 | 125.3° | 120.0° |
| C33 | C34 | H341 | H343 | 125.2° | 120.0° |
| C33 | C34 | H342 | H343 | 117.1° | 119.9° |
| H331 | C33 | C34 | H341 | 54.7° | 60.0° |
| H331 | C33 | C34 | H342 | NaN° | 180.0° |
| H331 | C33 | C34 | H343 | 70.5° | 60.0° |
| H332 | C33 | C34 | H341 | 54.8° | 60.0° |
| H332 | C33 | C34 | H342 | 70.5° | 60.1° |
| H332 | C33 | C34 | H343 | 180.0° | 180.0° |
| H341 | C34 | H342 | H343 | 117.2° | 120.0° |
