3KP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C1 | sing | 1.80Å | 1.78Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | C3 | sing | 1.53Å | 1.51Å | |
| CL1 | C3 | sing | 1.80Å | 1.81Å | |
| C2 | CL2 | sing | 1.80Å | 1.78Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C1 | C2 | 115.1° | 109.5° |
| CL | C1 | C3 | 108.8° | 109.5° |
| CL | C1 | H1 | 106.7° | 109.5° |
| C2 | C1 | C3 | 111.6° | 109.5° |
| C1 | C2 | CL2 | 111.7° | 109.5° |
| C2 | C1 | H1 | 103.7° | 109.5° |
| C1 | C2 | H2 | 108.8° | 109.5° |
| C1 | C2 | H2A | 108.8° | 109.5° |
| C1 | C3 | CL1 | 108.7° | 109.5° |
| C3 | C1 | H1 | 110.7° | 109.5° |
| C1 | C3 | H3 | 109.7° | 109.5° |
| C1 | C3 | H3A | 109.7° | 109.4° |
| CL1 | C3 | H3 | 109.7° | 109.5° |
| CL1 | C3 | H3A | 109.7° | 109.4° |
| CL2 | C2 | H2 | 108.7° | 109.5° |
| CL2 | C2 | H2A | 108.7° | 109.5° |
| H2 | C2 | H2A | 110.2° | 109.4° |
| H3 | C3 | H3A | 109.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C1 | C2 | C3 | 124.7° | 120.0° |
| CL | C1 | C2 | H1 | 116.2° | 120.0° |
| CL | C1 | C3 | H1 | 117.0° | 120.0° |
| CL | C1 | C3 | CL1 | 76.7° | 60.0° |
| CL | C1 | C2 | CL2 | 54.9° | 60.0° |
| CL | C1 | C2 | H2 | 174.9° | 60.0° |
| CL | C1 | C2 | H2A | 65.1° | 180.0° |
| CL | C1 | C3 | H3 | 43.3° | 180.0° |
| CL | C1 | C3 | H3A | 163.3° | 59.9° |
| C2 | C1 | C3 | H1 | 114.9° | 120.0° |
| C2 | C1 | C3 | CL1 | 155.1° | 180.0° |
| C1 | C2 | CL2 | H2 | 120.0° | 120.0° |
| C1 | C2 | CL2 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2A | 119.1° | 120.0° |
| C2 | C1 | C3 | H3 | 84.9° | 60.0° |
| C2 | C1 | C3 | H3A | 35.1° | 60.1° |
| C1 | C3 | CL1 | H3 | 120.0° | 120.0° |
| C1 | C3 | CL1 | H3A | 120.0° | 119.9° |
| C3 | C1 | C2 | CL2 | 179.6° | 180.0° |
| C3 | C1 | C2 | H2 | 60.4° | 60.0° |
| C3 | C1 | C2 | H2A | 59.6° | 60.0° |
| C1 | C3 | H3 | H3A | 120.3° | 120.0° |
| CL1 | C3 | C1 | H1 | 40.2° | 60.0° |
| CL1 | C3 | H3 | H3A | 120.3° | 120.0° |
| CL2 | C2 | C1 | H1 | 61.3° | 60.0° |
| CL2 | C2 | H2 | H2A | 119.1° | 120.0° |
| H1 | C1 | C2 | H2 | 58.8° | NaN° |
| H1 | C1 | C2 | H2A | 178.8° | 60.0° |
| H1 | C1 | C3 | H3 | 160.2° | 60.0° |
| H1 | C1 | C3 | H3A | 79.8° | 180.0° |
