A1IG4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | doub | 1.31Å | 1.33Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 119.9° | 120.1° |
| C3 | C4 | H1 | 109.5° | 109.5° |
| C3 | C4 | H2 | 109.5° | 109.5° |
| C4 | C3 | H3 | 120.1° | 120.0° |
| C3 | C4 | H8 | 109.5° | 109.5° |
| C3 | C2 | C1 | 119.9° | 120.1° |
| C2 | C3 | H3 | 120.0° | 119.9° |
| C3 | C2 | H4 | 120.0° | 119.9° |
| C1 | C2 | H4 | 120.0° | 120.0° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| C2 | C1 | H6 | 109.4° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H1 | C4 | H8 | 109.5° | 109.5° |
| H2 | C4 | H8 | 109.4° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 179.9° | 180.0° |
| C3 | C4 | H1 | H2 | 120.0° | 119.9° |
| C3 | C4 | H1 | H8 | 120.0° | 120.0° |
| C3 | C4 | H2 | H8 | 120.0° | 120.0° |
| C4 | C3 | C2 | H4 | 0.1° | 0.0° |
| C3 | C2 | C1 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | H1 | 180.0° | 60.0° |
| C2 | C3 | C4 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H5 | 180.0° | 60.0° |
| C3 | C2 | C1 | H6 | 60.0° | 60.0° |
| C3 | C2 | C1 | H7 | 60.0° | 180.0° |
| C2 | C3 | C4 | H8 | 60.0° | 180.0° |
| C1 | C2 | C3 | H3 | 0.1° | 0.0° |
| C2 | C1 | H5 | H6 | 120.0° | 119.9° |
| C2 | C1 | H5 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| H1 | C4 | H2 | H8 | 120.0° | 120.0° |
| H1 | C4 | C3 | H3 | 0.0° | 120.0° |
| H2 | C4 | C3 | H3 | 120.0° | 120.0° |
| H3 | C3 | C2 | H4 | 179.9° | 180.0° |
| H3 | C3 | C4 | H8 | 120.0° | 0.0° |
| H4 | C2 | C1 | H5 | 0.0° | 120.0° |
| H4 | C2 | C1 | H6 | 120.0° | 120.0° |
| H4 | C2 | C1 | H7 | 120.0° | 0.0° |
| H5 | C1 | H6 | H7 | 120.0° | 120.0° |
