TME
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 109.4° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C1 | C2 | C3 | 109.2° | 109.5° |
| C1 | C2 | H21 | 109.6° | 109.5° |
| C1 | C2 | H22 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| C3 | C2 | H21 | 109.6° | 109.5° |
| C3 | C2 | H22 | 109.6° | 109.5° |
| C2 | C3 | H31 | 109.4° | 109.5° |
| C2 | C3 | H32 | 109.5° | 109.5° |
| C2 | C3 | H33 | 109.5° | 109.5° |
| H21 | C2 | H22 | 109.3° | 109.4° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| H31 | C3 | H33 | 109.4° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | C3 | H21 | 120.1° | 120.0° |
| C1 | C2 | C3 | H22 | 120.0° | 120.0° |
| C1 | C2 | H21 | H22 | 120.1° | 120.0° |
| C1 | C2 | C3 | H31 | 29.3° | 60.0° |
| C1 | C2 | C3 | H32 | 90.7° | 180.0° |
| C1 | C2 | C3 | H33 | 149.2° | 60.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H11 | C1 | C2 | C3 | 124.5° | 60.0° |
| H11 | C1 | C2 | H21 | 115.4° | 60.0° |
| H11 | C1 | C2 | H22 | 4.5° | 180.0° |
| H12 | C1 | C2 | C3 | 115.5° | 60.0° |
| H12 | C1 | C2 | H21 | 4.6° | 180.0° |
| H12 | C1 | C2 | H22 | 124.5° | 60.0° |
| H13 | C1 | C2 | C3 | 4.5° | 180.0° |
| H13 | C1 | C2 | H21 | 124.6° | 60.0° |
| H13 | C1 | C2 | H22 | 115.5° | 60.0° |
| C3 | C2 | H21 | H22 | 120.1° | 120.0° |
| C2 | C3 | H31 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H33 | 120.0° | 120.0° |
| C2 | C3 | H32 | H33 | 120.0° | 120.0° |
| H21 | C2 | C3 | H31 | 149.4° | 60.0° |
| H21 | C2 | C3 | H32 | 29.4° | 60.0° |
| H21 | C2 | C3 | H33 | 90.6° | 180.0° |
| H22 | C2 | C3 | H31 | 90.7° | 180.0° |
| H22 | C2 | C3 | H32 | 149.3° | 60.0° |
| H22 | C2 | C3 | H33 | 29.2° | 60.0° |
| H31 | C3 | H32 | H33 | 120.0° | 120.0° |
