Table 3
Spectroscopic parameters of H2NC (all in MHz).
| Parameter | Astronomical (L483) fit (a) | Theoretical (b) |
|---|---|---|
| A | 339 669.82 | 339 669.82 |
| B | 38 085.559(74) | 38 102.01 |
| C | 34 124.301(74) | 34 082.34 |
| ΔN | 0.13463(16) | 0.101 |
| ΔNK | 2.367 | 2.367 |
| ΔK | 26.907 | 26.907 |
| δN | 0.012 | 0.012 |
| δK | 1.758 | 1.758 |
| εaa | 2319.573 | 2319.573 |
| εbb | 1.88(59) | 9.221 |
| εcc | −57.17(58) | −54.056 |
| aF (N) | −22.8656(59) | −21.248 |
| Taa (N) | 3.417(14) | 3.464 |
| Tbb (N) | 0.581 | 0.581 |
| χaa (N) | 0.2125(83) | 0.212 |
| χbb (N) | 1.594 | 1.594 |
| aF (H1,H2) | 169.90(23) | 170.360 |
| Taa (H1,H2) | 9.345(13) | 8.648 |
| Tbb (H1,H2) | −2.675 | −2.675 |
| |μ| | 3.83 (c) | |
Notes. (a) Numbers in parentheses are 1σ uncertainties in units of the last digits. Parameters without uncertainties were fixed to the theoretical values. (b) The values of the rotational constants A, B, and C were corrected using the experimental and theoretical constants of H2CN. (c) Calculated at the RCCSD(T)/cc-pCVQZ level of theory, in units of Debye.
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