| Version | 2021.12.nohf |
| Tag | 73801 |
| Molecule - Descriptor | Propionamide, Propanamide (CH3CH2CONH2) - vt=0 |
| Isotope | parent |
| Hyperfine | No |
| Lines in DB | 13426 |
| Frequency max. (MHz) | 459832.9752 |
| 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 | 2882604.114 | 169854.7 | 16.971 |
| 225.0 | 869462.656 | 110323.9 | 7.881 |
| 150.0 | 226578.837 | 60052.7 | 3.773 |
| 75.0 | 38068.617 | 21231.8 | 1.793 |
| 37.5 | 9143.039 | 7506.6 | 1.218 |
| 18.75 | 2741.582 | 2654.0 | 1.033 |
| 9.375 | 939.238 | 938.3 | 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