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Lille Spectroscopic Database
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Version 2023.03.nohf
Tag 57803
Molecule - Descriptor 2-Propanimine, Propan-2-imine ((CH3)2CNH) - vt=0
Isotope parent
Hyperfine No
Lines in DB 90812
Frequency max. (MHz) 999896.9593
J max. 80
Cite these data as Zou L., Guillemin J.-C., Belloche A., Jørgensen J.K., Margulès L., Motiyenko R.A., Groner P. 2023, MNRAS, 520, 4089–4102 https://doi.org/10.1093/mnras/stad405
Predictions Partition Function Quantum Numbers Format References

T(K) Qt Qrot Qvib
300.0 353614.251 353614.251 1.0
225.0 229601.689 229601.689 1.0
150.0 124946.155 124946.155 1.0
75.0 44177.039 44177.039 1.0
37.5 15630.155 15630.155 1.0
18.75 5535.792 5535.792 1.0
9.375 1965.963 1965.963 1.0
5.0 770.119 770.119 1.0

Energy levels of an asymmetric top with two internal rotors of C3v symmetry

Code:
ERHAM
Output Format:
J Ka Kc s

Details: Each level is characterized by the asymmetric top quantum numbers J, Ka, and Kc, together symmetry number σ. A combination of (σ1,σ2) values of upper and lower levels corresponds to a combination of symmetry species Γ1Γ2 of C3v symmetry point group. The correspondence is summarized in the table below.

(σ1,σ2) (0,0) (0,1) (1,0) (1,1) (1,2)
Γ1Γ2 AA AE EA EE EE'
Dipole moments

  • Theoretical values (DFT calculations): Zou L., Guillemin J.-C., Belloche A., Jørgensen J.K., Margulès L., Motiyenko R.A., Groner P. 2023, MNRAS, 520, 4089–4102 https://doi.org/10.1093/mnras/stad405