Click image for coordinates, property components,
and rotational constants
RCCSD(T)/aug-cc-pVTZ' calculations
RCCSD(T)/aug-cc-pVDZ calculations
| Species | State | Stucture | μ (D) | α (Å3) |
|---|---|---|---|---|
| C9 | 1Σg+ | 
| 0.000 | 33.356 |
| C8H | 2Π | 
| 6.437 | 21.847 |
| HC7N | 1Σ+ | 
| 4.903 | 16.690 |
| H2C7 | 1A1 | 
| 7.303 | 20.268 |
| CH3OCH3 | 1A1 | 
| 1.335 | 4.913 |
| CH3C4H | 1A' | 
| 1.151 | 9.262 |
| C3H6 | 1A' | 
| 0.355 | 5.825 |
| CH3CH2OH | 1A' | 
| 1.599 | 4.881 |
| CH3CONH2 | 1A' | 
| 3.820 | 5.827 |
| SiC3H5 | 2A' | 
| 2.221 | 11.601 |
Updated 11 November 2009