Click image for coordinates, property components,
and rotational constants
RCCSD(T)/aug-cc-pVTZ calculations
RCCSD(T)/aug-cc-pVTZ' calculations
| Species | State | Stucture | μ (D) | α (Å3) |
|---|---|---|---|---|
| C7 | 1Σg+ | 
| 0.000 | 20.498 |
| C6H | 2Π | 
| 5.601 | 13.679 |
| HC5N | 2Σ+ | 
| 4.405 | 10.416 |
| H2C5 | 1A1 | 
| 5.894 | 11.323 |
| CH2CHCN | 1A' | 
| 3.909 | 6.109 |
| C2H5 | 1A' | 
| 0.298 | 4.103 |
| CH3C2H | 1A' | 
| 0.752 | 5.285 |
| CH3C3 | 2A' | 
| 5.010 | 7.643 |
| CH3C2Si | 2A' | 
| 2.283 | 11.150 |
| CH3CHO | 1A' | 
| 2.792 | 4.440 |
| CH3NH2 | 1A' | 
| 1.358 | 3.774 |
Updated 11 November 2009