TZZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O1 | sing | 1.43Å | 1.43Å | |
| C | H1 | sing | 1.09Å | 1.12Å | |
| C | H2 | sing | 1.09Å | 1.11Å | |
| C | H3 | sing | 1.09Å | 1.12Å | |
| O1 | P | sing | 1.61Å | 1.61Å | |
| P | O | doub | 1.48Å | 1.59Å | |
| P | O2 | sing | 1.61Å | 1.60Å | |
| P | O3 | sing | 1.61Å | 1.61Å | |
| O2 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.11Å | |
| O3 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C2 | H23 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C | H1 | 121.7° | 109.5° |
| O1 | C | H2 | 107.9° | 109.5° |
| O1 | C | H3 | 107.8° | 109.5° |
| C | O1 | P | 121.7° | 106.8° |
| H1 | C | H2 | 107.8° | 109.5° |
| H1 | C | H3 | 107.8° | 109.5° |
| H2 | C | H3 | 102.0° | 109.4° |
| O1 | P | O | 113.4° | 109.5° |
| O1 | P | O2 | 104.6° | 109.4° |
| O1 | P | O3 | 106.3° | 109.4° |
| O | P | O2 | 111.7° | 109.5° |
| O | P | O3 | 113.1° | 109.5° |
| O2 | P | O3 | 107.2° | 109.5° |
| P | O2 | C1 | 116.3° | 106.8° |
| P | O3 | C2 | 119.5° | 106.8° |
| O2 | C1 | H11 | 116.3° | 109.5° |
| O2 | C1 | H12 | 109.7° | 109.4° |
| O2 | C1 | H13 | 109.7° | 109.5° |
| H11 | C1 | H12 | 109.8° | 109.4° |
| H11 | C1 | H13 | 109.7° | 109.5° |
| H12 | C1 | H13 | 100.5° | 109.5° |
| O3 | C2 | H21 | 119.5° | 109.4° |
| O3 | C2 | H22 | 108.6° | 109.5° |
| O3 | C2 | H23 | 108.6° | 109.4° |
| H21 | C2 | H22 | 108.6° | 109.5° |
| H21 | C2 | H23 | 108.6° | 109.5° |
| H22 | C2 | H23 | 101.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C | H1 | H2 | 125.3° | 120.0° |
| O1 | C | H1 | H3 | 125.2° | 120.0° |
| O1 | C | H2 | H3 | 113.4° | 120.0° |
| C | O1 | P | O | 158.8° | 180.0° |
| C | O1 | P | O2 | 36.9° | 60.0° |
| C | O1 | P | O3 | 76.3° | 60.0° |
| H1 | C | H2 | H3 | 113.4° | 120.0° |
| H1 | C | O1 | P | 180.0° | 180.0° |
| H2 | C | O1 | P | 54.7° | 60.0° |
| H3 | C | O1 | P | 54.8° | 60.0° |
| O1 | P | O | O2 | 117.8° | 120.0° |
| O1 | P | O | O3 | 121.1° | 120.0° |
| O1 | P | O2 | O3 | 112.6° | 120.0° |
| O1 | P | O2 | C1 | 89.3° | 65.0° |
| O1 | P | O3 | C2 | 122.8° | 65.0° |
| O | P | O2 | O3 | 124.4° | 120.1° |
| O | P | O2 | C1 | 33.7° | 54.9° |
| O | P | O3 | C2 | 2.3° | 54.9° |
| P | O2 | C1 | H11 | 180.0° | 59.9° |
| P | O2 | C1 | H12 | 54.7° | 60.0° |
| P | O2 | C1 | H13 | 54.8° | 180.0° |
| O2 | P | O3 | C2 | 125.8° | 175.0° |
| O3 | P | O2 | C1 | 158.1° | 175.0° |
| P | O3 | C2 | H21 | 180.0° | 60.1° |
| P | O3 | C2 | H22 | 54.7° | 60.0° |
| P | O3 | C2 | H23 | 54.7° | 180.0° |
| O2 | C1 | H11 | H12 | 125.3° | 119.9° |
| O2 | C1 | H11 | H13 | 125.2° | 120.0° |
| O2 | C1 | H12 | H13 | 115.5° | 120.0° |
| H11 | C1 | H12 | H13 | 115.5° | 120.1° |
| O3 | C2 | H21 | H22 | 125.3° | 120.0° |
| O3 | C2 | H21 | H23 | 125.3° | 119.9° |
| O3 | C2 | H22 | H23 | 114.3° | 119.9° |
| H21 | C2 | H22 | H23 | 114.3° | 120.1° |
