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

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

Format:
J Ka Kc m

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
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