Click image for coordinates, property components,
and rotational constants
RCCSD(T)/aug-cc-pVDZ calculations
| Species | State | Stucture | μ (D) | α (Å3) |
|---|---|---|---|---|
| C10 | 1Σg+ | 
| 0.000 | 37.703 |
| C8H2 | 1Σg+ | 
| 0.000 | 18.588 |
| C8N2 | 1Σg+ | 
| 0.000 | 21.582 |
| C9H | 2Π | 
| 6.495 | 26.381 |
| C9N | 2Π | 
| 1.217 | 27.504 |
| HC8N | 3Σ- | 
| 5.575 | 22.955 |
| SiC8H | 2Π | 
| 1.018 | 30.339 |
| H2C8 | 1A1 | 
| 7.588 | 25.706 |
| C4H6 | 1A1 | 
| 0.000 | 8.200 |
| (CH3)2CO | 1A1 | 
| 2.967 | 6.296 |
| CH3CH2C2H | 1A' | 
| 0.755 | 7.268 |
| CH3CHCCH2 | 1A' | 
| 0.394 | 8.003 |
| CH3C5N | 1A' | 
| 5.929 | 13.319 |
Updated 11 November 2009