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Version 2022.11.nohf
Tag 61801
Molecule - Descriptor Methyl Nitrite (CH3ONO) - cis conformer, vt=0
Isotope parent
Hyperfine No
Lines in DB 47575
Frequency max. (MHz) 1934555.285
J max. 65
Cite these data as Sironneau V., Chelin P., Tchana F.K., Kleiner I., Pirali O., Roy P., Guillemin J.-C., Orphal J., Margulès L., Motiyenko R.A., et al. 2011, J. Mol. Spec., 267, 92–99 https://doi.org/10.1016/j.jms.2011.02.014
Predictions Partition Function Quantum Numbers Format References

T(K) Qt Qrot Qvib
300.0 98298.529 98298.529 1.0
225.0 54611.332 54611.332 1.0
150.0 24860.502 24860.502 1.0
75.0 7667.979 7667.979 1.0
37.5 2664.638 2664.638 1.0
18.75 943.912 943.912 1.0
9.375 335.306 335.306 1.0
5.0 131.700 131.7 1.0
2.725 53.798 53.798 1.0

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

Code:
BELGI-Cs
Output Format:
J Ka Kc m

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
Measurements

  • Gwinn W.D., Anderson R.J., Stelman D. 1968, Bull. Am. Phys. Soc., 13, 831
  • Turner P.H., Corkill M.J., Cox A.P. 1979, J. Phys. Chem., 83, 1473–1482
  • Ghosh P.N., Bauder A., Gunthard H.H. 1980, Chem. Phys., 53, 39–50
Dipole moments

  • Gwinn W.D., Anderson R.J., Stelman D. 1968, Bull. Am. Phys. Soc., 13, 831