Click image for coordinates, property components,
and rotational constants
RCCSD(T)/aug-cc-pVTZ calculations
| Species | State | Stucture | μ (D) | α (Å3) |
|---|---|---|---|---|
| C3 | 1Σg+ | 
| 0.000 | 5.179 |
| CO2 | 1Σg+ | 
| 0.000 | 2.597 |
| SiO2 | 1Σg+ | 
| 0.000 | 4.577 |
| C2H | 2Σ+ | 
| 0.808 | 4.415 |
| C2N | 2Σ+ | 
| 0.369 | 4.270 |
| C2P | 2Σ+ | 
| 3.243 | 7.518 |
| C2O | 3Σ- | 
| 1.438 | 4.087 |
| C2S | 3Σ- | 
| 3.107 | 6.873 |
| HCN | 1Σ+ | 
| 3.007 | 2.497 |
| HNC | 1Σ+ | 
| 3.090 | 2.729 |
| HCSi | 2Π | 
| 0.138 | 6.685 |
| HNSi | 1Σ+ | 
| 0.256 | 5.580 |
| HCP | 1Σ+ | 
| 0.424 | 5.282 |
| N2O | 1Σ+ | 
| 0.144 | 2.923 |
| NaOH | 1Σ+ | 
| 7.095 | 3.004 |
| NCO | 2Π | 
| 0.715 | 3.176 |
| OCS | 1Σ+ | 
| 0.713 | 5.170 |
| SiNC | 2Π | 
| 2.650 | 7.474 |
| CH2 | 3B1 | 
| 0.591 | 2.120 |
| SiH2 | 1A1 | 
| 0.136 | 5.230 |
| H2O | 1A1 | 
| 1.845 | 1.406 |
| H2S | 1A1 | 
| 0.964 | 3.598 |
| NH2 | 2B1 | 
| 1.768 | 1.782 |
| PH2 | 2B1 | 
| 0.545 | 4.316 |
| NO2 | 2B1 | 
| 0.315 | 2.828 |
| c-SiC2 | 2B1 | 
| 2.401 | 6.785 |
| SO2 | 2B1 | 
| 1.660 | 3.809 |
| HCO | 2A' | 
| 1.640 | 2.538 |
| HCS | 2A' | 
| 0.966 | 4.882 |
| HNO | 2A' | 
| 1.684 | 2.151 |
| HPO | 2A' | 
| 2.304 | 4.209 |
| HO2 | 2A" | 
| 2.132 | 1.954 |
| HS2 | 2A" | 
| 1.444 | 6.474 |
| HSiS | 2A' | 
| 2.059 | 8.121 |
Updated 5 December 2008