Click image for coordinates, property components,
and rotational constants
RCCSD(T)/aug-cc-pVTZ calculations
| Species | State | Stucture | μ (D) | α (Å3) |
|---|---|---|---|---|
| C4 | 1Σg+ | 
| 0.000 | 7.512 |
| C2H2 | 1Σg+ | 
| 0.000 | 3.378 |
| l-C3H | 2Π | 
| 3.532 | 5.359 |
| C3N | 2Σ+ | 
| 2.864 | 5.675 |
| C3P | 2Π | 
| 3.889 | 10.499 |
| C3O | 2Σ+ | 
| 2.470 | 6.027 |
| C3S | 2Σ+ | 
| 3.927 | 9.649 |
| SiC3 | 2Σ+ | 
| 4.120 | 11.900 |
| SiC2H | 2Π | 
| 0.947 | 8.712 |
| HC2P | 3Σ- | 
| 1.090 | 7.383 |
| CH3 | 2B2 | 
| 0.000 | 2.335 |
| H2CN | 2B2 | 
| 2.460 | 2.963 |
| H2CO | 1A1 | 
| 2.393 | 2.602 |
| H2CSi | 1A1 | 
| 0.194 | 7.032 |
| H2CS | 1A1 | 
| 1.680 | 5.014 |
| H2SiO | 1A1 | 
| 3.734 | 4.558 |
| H2SiS | 1A1 | 
| 2.672 | 7.606 |
| c-SiC3 | 1A1 | 
| 4.063 | 8.133 |
| HNCO | 1A' | 
| 2.032 | 3.490 |
| HOCN | 1A' | 
| 3.782 | 3.296 |
| HCNO | 1A' | 
| 3.274 | 3.854 |
| HONC | 1A' | 
| 3.441 | 3.644 |
| HNCS | 1A' | 
| 1.890 | 6.394 |
| HSCN | 1A' | 
| 3.439 | 5.505 |
| HCNS | 1&Sigma+ | 
| 3.865 | 6.995 |
| HSNC | 1A' | 
| 3.243 | 5.837 |
| c-C3H | 2A' | 
| 2.602 | 4.802 |
| HOOH | 1A1 | 
| 1.743 | 2.243 |
| HSSH | 1A1 | 
| 1.100 | 6.567 |
| NH3 | 1A' | 
| 1.519 | 2.087 |
| SiH3 | 2A' | 
| 0.005 | 5.076 |
Updated 19 July 2009