Click image for coordinates, property components,
and rotational constants
RCCSD(T)/aug-cc-pVTZ calculations
| Species | State | Stucture | μ (D) | α (Å3) |
|---|---|---|---|---|
| C5 | 1Σg+ | 
| 0.000 | 11.164 |
| C4H | 2Σ+ | 
| 0.866 | 7.151 |
| C4N | 2Π | 
| 0.060 | 8.749 |
| C4P | 2Π | 
| 4.191 | 12.764 |
| C4O | 3Σ- | 
| 2.865 | 9.209 |
| C4S | 3Σ- | 
| 4.628 | 13.697 |
| HC3N | 1Σ+ | 
| 3.788 | 5.848 |
| HCNCC | 1Σ+ | 
| 7.517 | 7.783 |
| HCCNC | 1Σ+ | 
| 2.990 | 6.221 |
| SiC3H | 2Π | 
| 0.650 | 11.848 |
| SiC4 | 1Σ+ | 
| 6.442 | 16.135 |
| CH2CN | 2B1 | 
| 3.499 | 4.382 |
| H2CCO | 1A1 | 
| 1.415 | 4.301 |
| H2C3 | 1A1 | 
| 4.168 | 5.609 |
| c-C3H2 | 1A1 | 
| 3.411 | 4.583 |
| c-SiC2H2 | 1A1 | 
| 1.005 | 7.462 |
| C2H3 | 2A' | 
| 0.681 | 3.856 |
| HCOOH | 1A' | 
| 1.450 | 3.317 |
| CH2NH | 1A' | 
| 2.035 | 3.327 |
| CH2PH | 1A' | 
| 0.891 | 6.044 |
| HNCCC | 1A' | 
| 5.679 | 7.332 |
| HCOCN | 1A' | 
| 2.510 | 4.641 |
| CH4 | 1A1 | 
| 0.000 | 2.447 |
| HC3H | 3B | 
| 0.476 | 2.581 |
| NH2CN | 1A' | 
| 4.369 | 3.947 |
| SiH4 | 1A1 | 
| 0.000 | 4.588 |
| SiCH3 | 2A" | 
| 1.070 | 7.426 |
Updated 9 July 2009