VDF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.38Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.50Å | |
| O5 | C1 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | O4 | sing | 1.43Å | 1.37Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C2 | O2 | sing | 1.43Å | 1.37Å | |
| O2 | P | sing | 1.61Å | 1.61Å | |
| OP1 | P | doub | 1.48Å | 1.45Å | |
| P | OP3 | sing | 1.61Å | 1.55Å | |
| P | OP2 | sing | 1.61Å | 1.51Å | |
| OP2 | H1A | sing | 0.97Å | 0.95Å | |
| OP3 | H2A | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O5 | 114.8° | 109.5° |
| O1 | C1 | C2 | 111.4° | 109.5° |
| O1 | C1 | H1 | 107.6° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| O5 | C5 | C4 | 110.6° | 109.4° |
| C5 | O5 | C1 | 115.5° | 114.1° |
| O5 | C5 | H51 | 109.2° | 109.5° |
| O5 | C5 | H52 | 109.2° | 109.5° |
| C5 | C4 | C3 | 110.0° | 109.2° |
| C5 | C4 | O4 | 106.9° | 109.5° |
| C5 | C4 | H4 | 110.5° | 109.6° |
| C4 | C5 | H51 | 109.2° | 109.5° |
| C4 | C5 | H52 | 109.2° | 109.4° |
| O5 | C1 | C2 | 110.1° | 109.3° |
| O5 | C1 | H1 | 106.8° | 109.5° |
| C1 | C2 | C3 | 108.2° | 109.2° |
| C1 | C2 | O2 | 104.7° | 109.5° |
| C1 | C2 | H2 | 110.6° | 109.5° |
| C2 | C1 | H1 | 105.5° | 109.5° |
| C3 | C4 | O4 | 107.2° | 109.5° |
| C4 | C3 | C2 | 112.2° | 109.0° |
| C4 | C3 | O3 | 107.8° | 109.5° |
| C4 | C3 | H3 | 108.8° | 109.6° |
| C3 | C4 | H4 | 109.7° | 109.5° |
| O4 | C4 | H4 | 112.5° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C2 | C3 | O3 | 109.0° | 109.5° |
| C3 | C2 | O2 | 109.1° | 109.5° |
| C3 | C2 | H2 | 110.5° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| O3 | C3 | H3 | 110.2° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C2 | O2 | P | 125.8° | 123.0° |
| O2 | C2 | H2 | 113.5° | 109.5° |
| O2 | P | OP1 | 109.6° | 109.4° |
| O2 | P | OP3 | 107.7° | 109.5° |
| O2 | P | OP2 | 103.7° | 109.5° |
| OP1 | P | OP3 | 117.1° | 109.5° |
| OP1 | P | OP2 | 119.3° | 109.5° |
| OP3 | P | OP2 | 98.1° | 109.5° |
| P | OP3 | H2A | 109.5° | 114.0° |
| P | OP2 | H1A | 109.5° | 114.0° |
| H51 | C5 | H52 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O5 | C5 | 65.9° | 178.8° |
| O1 | C1 | O5 | C2 | 126.7° | 120.0° |
| O1 | C1 | O5 | H1 | 119.2° | 120.0° |
| O1 | C1 | C2 | H1 | 116.4° | 120.1° |
| O1 | C1 | C2 | C3 | 74.7° | 177.6° |
| O1 | C1 | C2 | O2 | 41.6° | 57.6° |
| O1 | C1 | C2 | H2 | 164.2° | 62.5° |
| O5 | C5 | C4 | H51 | 120.2° | 120.0° |
| O5 | C5 | C4 | H52 | 120.2° | 120.0° |
| C5 | O5 | C1 | C2 | 60.8° | 61.1° |
| O5 | C5 | C4 | C3 | 54.1° | 57.6° |
| O5 | C5 | C4 | O4 | 61.9° | 177.5° |
| O5 | C5 | C4 | H4 | 175.4° | 62.3° |
| O5 | C5 | H51 | H52 | 119.5° | 120.1° |
| C5 | O5 | C1 | H1 | 174.9° | 58.8° |
| C4 | C5 | O5 | C1 | 60.9° | 61.2° |
| C5 | C4 | C3 | O4 | 115.9° | 119.9° |
| C5 | C4 | C3 | H4 | 121.7° | 119.9° |
| C5 | C4 | O4 | H4 | 121.5° | 120.2° |
| C5 | C4 | C3 | C2 | 52.6° | 57.0° |
| C5 | C4 | C3 | O3 | 172.7° | 62.9° |
| C5 | C4 | C3 | H3 | 67.8° | 176.9° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.3° |
| C4 | C5 | H51 | H52 | 119.4° | 120.0° |
| O5 | C1 | C2 | H1 | 115.0° | 119.9° |
| O5 | C1 | C2 | C3 | 53.9° | 57.6° |
| O5 | C1 | C2 | O2 | 170.2° | 62.4° |
| O5 | C1 | C2 | H2 | 67.2° | 177.5° |
| C1 | O5 | C5 | H51 | 178.9° | 178.9° |
| C1 | O5 | C5 | H52 | 59.3° | 58.8° |
| O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
| C1 | C2 | C3 | C4 | 51.9° | 57.0° |
| C1 | C2 | C3 | O2 | 113.4° | 119.9° |
| C1 | C2 | C3 | H2 | 121.2° | 119.9° |
| C1 | C2 | C3 | O3 | 171.3° | 62.8° |
| C1 | C2 | O2 | H2 | 120.7° | 120.1° |
| C1 | C2 | O2 | P | 144.1° | 120.1° |
| C1 | C2 | C3 | H3 | 68.6° | 177.0° |
| C2 | C1 | O1 | HO1 | 53.9° | 179.9° |
| C3 | C4 | O4 | H4 | 120.6° | 120.1° |
| C4 | C3 | C2 | O3 | 119.4° | 119.8° |
| C4 | C3 | C2 | H3 | 120.5° | 120.0° |
| C4 | C3 | O3 | H3 | 118.6° | 120.3° |
| C4 | C3 | C2 | O2 | 165.3° | 62.9° |
| C4 | C3 | C2 | H2 | 69.3° | 176.9° |
| C4 | C3 | O3 | HO3 | 180.0° | 60.5° |
| C3 | C4 | O4 | HO4 | 62.1° | 180.0° |
| C3 | C4 | C5 | H51 | 174.3° | 177.6° |
| C3 | C4 | C5 | H52 | 66.1° | 62.4° |
| O4 | C4 | C3 | C2 | 63.3° | 176.9° |
| O4 | C4 | C3 | O3 | 56.8° | 57.0° |
| O4 | C4 | C3 | H3 | 176.3° | 63.2° |
| O4 | C4 | C5 | H51 | 58.3° | 62.5° |
| O4 | C4 | C5 | H52 | 177.9° | 57.5° |
| C2 | C3 | O3 | H3 | 119.3° | 120.2° |
| C3 | C2 | O2 | H2 | 123.7° | 120.2° |
| C3 | C2 | O2 | P | 100.2° | 120.1° |
| C2 | C3 | O3 | HO3 | 57.9° | 180.0° |
| C2 | C3 | C4 | H4 | 174.4° | 63.0° |
| C3 | C2 | C1 | H1 | 168.9° | 62.4° |
| O3 | C3 | C2 | O2 | 75.3° | 177.2° |
| O3 | C3 | C2 | H2 | 50.1° | 57.1° |
| O3 | C3 | C4 | H4 | 65.6° | 177.2° |
| C2 | O2 | P | OP1 | 174.9° | 55.0° |
| C2 | O2 | P | OP3 | 56.7° | 175.0° |
| C2 | O2 | P | OP2 | 46.5° | 65.0° |
| O2 | C2 | C3 | H3 | 44.8° | 57.0° |
| O2 | C2 | C1 | H1 | 74.8° | 177.7° |
| O2 | P | OP1 | OP3 | 123.0° | 120.0° |
| O2 | P | OP1 | OP2 | 119.1° | 120.0° |
| O2 | P | OP3 | OP2 | 107.2° | 120.0° |
| O2 | P | OP2 | H1A | 122.1° | 60.0° |
| O2 | P | OP3 | H2A | 123.9° | 180.0° |
| P | O2 | C2 | H2 | 23.4° | 0.0° |
| OP1 | P | OP3 | OP2 | 128.9° | 120.1° |
| OP1 | P | OP2 | H1A | 0.0° | 179.9° |
| OP1 | P | OP3 | H2A | 0.0° | 60.1° |
| OP3 | P | OP2 | H1A | 127.4° | 60.0° |
| OP2 | P | OP3 | H2A | 128.9° | 60.0° |
| H2 | C2 | C3 | H3 | 170.2° | 63.1° |
| H2 | C2 | C1 | H1 | 47.8° | 57.6° |
| H3 | C3 | O3 | HO3 | 61.4° | 59.8° |
| H3 | C3 | C4 | H4 | 53.9° | 56.9° |
| H4 | C4 | O4 | HO4 | 58.6° | 59.9° |
| H4 | C4 | C5 | H51 | 64.4° | 57.7° |
| H4 | C4 | C5 | H52 | 55.2° | 177.7° |
| H1 | C1 | O1 | HO1 | 61.3° | 60.0° |
