Click image for coordinates, property components,
and rotational constants
RCCSD(T)/aug-cc-pVTZ calculations
| Species | State | Stucture | μ (D) | α (Å3) |
|---|---|---|---|---|
| C6 | 1Σg+ | 
| 0.000 | 14.316 |
| C4H2 | 1Σg+ | 
| 0.000 | 7.048 |
| C4N2 | 1Σg+ | 
| 0.000 | 9.025 |
| C5H | 2Π | 
| 4.835 | 10.504 |
| C5N | 2Σ+ | 
| 3.333 | 9.430 |
| HC4N | 3Σ- | 
| 4.297 | 8.842 |
| SiC4H | 2Π | 
| 1.092 | 14.289 |
| C2H4 | 1A1 | 
| 0.000 | 4.009 |
| CH2C2H | 2B1 | 
| 0.115 | 5.556 |
| H2C4 | 1A1 | 
| 4.433 | 8.122 |
| c-C3H2O | 1A1 | 
| 4.250 | 5.306 |
| HCOC2H | 1A' | 
| 2.801 | 5.660 |
| HCOCNH2 | 1A' | 
| 3.879 | 4.144 |
| CH3CN | 1A' | 
| 3.932 | 4.315 |
| CH3CC | 2A' | 
| 4.197 | 7.478 |
| CH3OH | 1A' | 
| 1.685 | 3.111 |
| CH2CNH | 1A' | 
| 1.475 | 5.251 |
| H2SiC2H | 2A' | 
| 0.425 | 7.880 |
Updated 11 November 2009