| Version | 2021.12.hfs |
| Tag | 73803 |
| Molecule - Descriptor | Propionamide, Propanamide (CH3CH2CONH2) - vt=0 |
| Isotope | parent |
| Hyperfine | Yes |
| Lines in DB | 40248 |
| Frequency max. (MHz) | 459833.3549 |
| J max. | 40 |
| Cite these data as | Li J., Wang J., Lu X., Ilyushin V., Motiyenko R.A., Gou Q., Alekseev E.A., Quan D., Margulès L., Gao F., et al. 2021, ApJ, 919, 4 https://doi.org/10.3847/1538-4357/ac091c |
Note: The vibrational partition function given in Table 2 of Li et al. 2021, ApJ, 919, 4 is incorect. An erratum will be published soon. Here correct values are given.
| T(K) | Qt | Qrot | Qvib |
|---|---|---|---|
| 300.0 | 8647814.038 | 509564.2 | 16.971 |
| 225.0 | 2608387.968 | 330971.7 | 7.881 |
| 150.0 | 679736.889 | 180158.2 | 3.773 |
| 75.0 | 114206.031 | 63695.5 | 1.793 |
| 37.5 | 27429.116 | 22519.8 | 1.218 |
| 18.75 | 8224.643 | 7961.9 | 1.033 |
| 9.375 | 2817.815 | 2815.0 | 1.001 |
Details: Each level is characterized by the usual asymmetric top quantum numbers
J, Ka, and Kc, and the free rotor quantum number m.
When table includes hyperfine levels, standard F = J+I quantum number is added to the labeling.
The correspondence between
m quantum number in .cat file and the vibrational torsional quantum number vt and symmetry species Γ = A or E
of C3v symmetry point group is given in the table →
| m | vt | Γ |
|---|---|---|
| 0 | 0 | A |
| 1 | 0 | E |
| -3 | 1 | A |
| -2 | 1 | E |
| 3 | 2 | A |
| 4 | 2 | E |
| -6 | 3 | A |
| -5 | 3 | E |
| 6 | 4 | A |
| 7 | 4 | E |
Lille Spectroscopic Database