VX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P1 | O1 | doub | 1.50Å | 1.47Å | |
| P1 | O2 | sing | 1.62Å | 1.43Å | |
| P1 | C1 | sing | 1.78Å | 1.80Å | |
| O2 | C2 | sing | 1.42Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C1 | H2 | sing | 1.09Å | 1.12Å | |
| C1 | H3 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.51Å | 1.42Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.10Å | 1.12Å | |
| C3 | H33 | sing | 1.10Å | 1.11Å | |
| P1 | O3 | sing | 1.62Å | 89.01Å | |
| O3 | H3O | sing | 0.98Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P1 | O2 | 111.4° | 114.5° |
| O1 | P1 | C1 | 114.6° | 113.7° |
| O1 | P1 | O3 | 66.0° | 114.4° |
| O2 | P1 | C1 | 110.9° | 105.9° |
| P1 | O2 | C2 | 126.2° | 121.0° |
| O2 | P1 | O3 | 169.3° | 103.0° |
| P1 | C1 | H1 | 114.6° | 110.1° |
| P1 | C1 | H2 | 110.4° | 110.1° |
| P1 | C1 | H3 | 110.3° | 110.1° |
| C1 | P1 | O3 | 63.3° | 104.1° |
| O2 | C2 | C3 | 114.4° | 109.0° |
| O2 | C2 | H21 | 110.4° | 108.8° |
| O2 | C2 | H22 | 110.4° | 108.8° |
| H1 | C1 | H2 | 110.4° | 108.9° |
| H1 | C1 | H3 | 110.4° | 108.8° |
| H2 | C1 | H3 | 99.8° | 108.8° |
| C3 | C2 | H21 | 110.4° | 110.6° |
| C3 | C2 | H22 | 110.4° | 110.6° |
| C2 | C3 | H31 | 114.4° | 110.9° |
| C2 | C3 | H32 | 110.4° | 110.7° |
| C2 | C3 | H33 | 110.4° | 110.7° |
| H21 | C2 | H22 | 99.9° | 109.1° |
| H31 | C3 | H32 | 110.3° | 108.8° |
| H31 | C3 | H33 | 110.5° | 108.8° |
| H32 | C3 | H33 | 99.9° | 106.9° |
| P1 | O3 | H3O | 90.0° | 118.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P1 | O2 | C1 | 128.9° | 126.1° |
| O1 | P1 | O2 | O3 | 73.6° | 124.9° |
| O1 | P1 | C1 | O3 | 43.1° | 125.2° |
| O1 | P1 | O2 | C2 | 40.5° | 173.9° |
| O1 | P1 | C1 | H1 | 180.0° | 28.0° |
| O1 | P1 | C1 | H2 | 54.7° | 148.1° |
| O1 | P1 | C1 | H3 | 54.7° | 92.0° |
| O1 | P1 | O3 | H3O | 90.0° | 6.1° |
| O2 | P1 | C1 | O3 | 170.2° | 108.2° |
| O2 | P1 | C1 | H1 | 52.9° | 154.6° |
| O2 | P1 | C1 | H2 | 72.5° | 85.3° |
| O2 | P1 | C1 | H3 | 178.1° | 34.6° |
| P1 | O2 | C2 | C3 | 85.7° | 180.0° |
| P1 | O2 | C2 | H21 | 149.0° | 59.4° |
| P1 | O2 | C2 | H22 | 39.6° | 59.4° |
| O2 | P1 | O3 | H3O | 90.0° | 118.9° |
| C1 | P1 | O2 | C2 | 88.4° | 60.0° |
| P1 | C1 | H1 | H2 | 125.3° | 120.8° |
| P1 | C1 | H1 | H3 | 125.3° | 120.7° |
| P1 | C1 | H2 | H3 | 116.1° | 120.7° |
| C1 | P1 | O3 | H3O | 90.0° | 130.8° |
| O2 | C2 | C3 | H21 | 125.3° | 119.5° |
| O2 | C2 | C3 | H22 | 125.2° | 119.5° |
| O2 | C2 | H21 | H22 | 116.3° | 118.6° |
| O2 | C2 | C3 | H31 | 179.9° | 180.0° |
| O2 | C2 | C3 | H32 | 54.8° | 59.2° |
| O2 | C2 | C3 | H33 | 54.7° | 59.1° |
| C2 | O2 | P1 | O3 | 33.1° | 49.0° |
| H1 | C1 | H2 | H3 | 116.2° | 118.5° |
| H1 | C1 | P1 | O3 | 136.9° | 97.1° |
| H2 | C1 | P1 | O3 | 97.7° | 22.9° |
| H3 | C1 | P1 | O3 | 11.7° | 142.9° |
| C3 | C2 | H21 | H22 | 116.2° | 121.8° |
| C2 | C3 | H31 | H32 | 125.2° | 121.9° |
| C2 | C3 | H31 | H33 | 125.3° | 122.0° |
| C2 | C3 | H32 | H33 | 116.2° | 120.6° |
| H21 | C2 | C3 | H31 | 54.8° | 60.5° |
| H21 | C2 | C3 | H32 | 179.9° | 178.7° |
| H21 | C2 | C3 | H33 | 70.6° | 60.4° |
| H22 | C2 | C3 | H31 | 54.7° | 60.5° |
| H22 | C2 | C3 | H32 | 70.5° | 60.4° |
| H22 | C2 | C3 | H33 | 179.9° | 178.6° |
| H31 | C3 | H32 | H33 | 116.3° | 117.3° |
