LTH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| O | C1 | doub | 1.21Å | 1.25Å | |
| O1 | C1 | sing | 1.34Å | 1.29Å | |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| O2 | C2 | sing | 1.43Å | 1.45Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C2 | 109.8° | 109.4° |
| O3 | C3 | C4 | 108.5° | 109.5° |
| O3 | C3 | H4 | 110.9° | 109.5° |
| C3 | O3 | H5 | 109.5° | 114.0° |
| O | C1 | O1 | 126.0° | 120.1° |
| O | C1 | C2 | 115.8° | 120.0° |
| O1 | C1 | C2 | 118.1° | 119.9° |
| C1 | O1 | H1 | 109.5° | 117.0° |
| C1 | C2 | C3 | 111.9° | 109.5° |
| C1 | C2 | O2 | 111.0° | 109.5° |
| C1 | C2 | H2 | 108.2° | 109.5° |
| C2 | C3 | C4 | 108.8° | 109.5° |
| C3 | C2 | O2 | 107.4° | 109.5° |
| C3 | C2 | H2 | 108.6° | 109.4° |
| C2 | C3 | H4 | 109.6° | 109.5° |
| C3 | C4 | O4 | 106.0° | 109.4° |
| C4 | C3 | H4 | 109.2° | 109.5° |
| C3 | C4 | H6 | 110.3° | 109.5° |
| C3 | C4 | H7 | 110.3° | 109.5° |
| O2 | C2 | H2 | 109.5° | 109.4° |
| C2 | O2 | H3 | 109.5° | 113.9° |
| O4 | C4 | H6 | 110.3° | 109.5° |
| O4 | C4 | H7 | 110.3° | 109.5° |
| C4 | O4 | H8 | 109.5° | 114.0° |
| H6 | C4 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C2 | C1 | 58.7° | 55.0° |
| O3 | C3 | C2 | C4 | 118.6° | 120.0° |
| O3 | C3 | C2 | H4 | 122.0° | 120.0° |
| O3 | C3 | C4 | H4 | 120.9° | 120.0° |
| O3 | C3 | C2 | O2 | 63.5° | 65.0° |
| O3 | C3 | C4 | O4 | 175.4° | 65.0° |
| O3 | C3 | C2 | H2 | 178.2° | 175.0° |
| O3 | C3 | C4 | H6 | 56.0° | 55.0° |
| O3 | C3 | C4 | H7 | 65.2° | 175.0° |
| O | C1 | O1 | C2 | 175.7° | 179.9° |
| O | C1 | C2 | C3 | 126.2° | 115.1° |
| O | C1 | C2 | O2 | 6.2° | 5.0° |
| O | C1 | O1 | H1 | 0.0° | 0.0° |
| O | C1 | C2 | H2 | 114.1° | 125.0° |
| O1 | C1 | C2 | C3 | 57.6° | 65.0° |
| O1 | C1 | C2 | O2 | 177.7° | 175.0° |
| O1 | C1 | C2 | H2 | 62.0° | 55.0° |
| C1 | C2 | C3 | O2 | 122.2° | 120.0° |
| C1 | C2 | C3 | H2 | 119.5° | 120.0° |
| C1 | C2 | C3 | C4 | 177.3° | 175.0° |
| C1 | C2 | O2 | H2 | 119.5° | 120.0° |
| C2 | C1 | O1 | H1 | 175.7° | 180.0° |
| C1 | C2 | O2 | H3 | 2.9° | 59.9° |
| C1 | C2 | C3 | H4 | 63.3° | 65.0° |
| C2 | C3 | C4 | H4 | 119.6° | 120.0° |
| C3 | C2 | O2 | H2 | 117.8° | 119.9° |
| C2 | C3 | C4 | O4 | 65.1° | 175.0° |
| C3 | C2 | O2 | H3 | 125.7° | 60.1° |
| C2 | C3 | O3 | H5 | 180.0° | 60.0° |
| C2 | C3 | C4 | H6 | 175.4° | 65.0° |
| C2 | C3 | C4 | H7 | 54.3° | 55.0° |
| C4 | C3 | C2 | O2 | 55.2° | 55.0° |
| C3 | C4 | O4 | H6 | 119.4° | 120.0° |
| C3 | C4 | O4 | H7 | 119.4° | 120.0° |
| C4 | C3 | C2 | H2 | 63.2° | 65.0° |
| C4 | C3 | O3 | H5 | 61.2° | 60.0° |
| C3 | C4 | H6 | H7 | 121.6° | 120.0° |
| C3 | C4 | O4 | H8 | 180.0° | 180.0° |
| O2 | C2 | C3 | H4 | 174.5° | 175.0° |
| O4 | C4 | C3 | H4 | 54.5° | 55.0° |
| O4 | C4 | H6 | H7 | 121.6° | 120.0° |
| H2 | C2 | O2 | H3 | 116.5° | 180.0° |
| H2 | C2 | C3 | H4 | 56.2° | 55.0° |
| H4 | C3 | O3 | H5 | 58.7° | 180.0° |
| H4 | C3 | C4 | H6 | 65.0° | 175.0° |
| H4 | C3 | C4 | H7 | 173.9° | 65.0° |
| H6 | C4 | O4 | H8 | 60.6° | 60.1° |
| H7 | C4 | O4 | H8 | 60.5° | 60.0° |
