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Lille Spectroscopic Database
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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
Predictions Partition Function Quantum Numbers Format References

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

Energy levels of an asymmetric top with a single internal rotor of C3v symmetry

Code:
RAM36/RAM36hf
Output Format:
J Ka Kc m F

Details: Each energy level is characterized by the asymmetric-top quantum numbers J, Ka, and Kc, together with the free-rotor quantum number m. When table includes hyperfine levels, the standard quantum number F = J + I is included in the level designation.

The correspondence between the m quantum number used in the .cat file and the vibrational–torsional quantum number vt, as well as the associated symmetry species Γ = A or E of the C3v point group, is summarized in the table below.

m 0 1 -3 -2 3 4 -6 -5 6 7
vt 0 0 1 1 2 2 3 3 4 4
Γ A E A E A E A E A E
Previously published reference data

  • Vibrational spectra: Kuroda Y., Saito Y., Maghida K., Uno T. 1972, Bull. Chem. Soc. Japan, 45, 2371–2383
Measurements

  • Rotational spectra and dipole moments: Marstokk K.-M., Møllendal H., Samdal S. 1996, J. Mol. Struct., 376, 11–24