Supplementary Information for:
Internal rotation in methyl rocking infrared fundamental band (ν17 = 1) of propylene oxide and refined analyses of its ground and first torsional state (ν24 = 1)

Karel Vávra, Kateřina Luková, Eileen Döring, Jan Jakob, Thomas F. Giesen, and Guido W. Fuchs

The Supplementary Information contains the following files (all fits were performed employing the General Fitting Code): 

GS_Mesko.fit - Output file of the analysis of the original line list corresponding to the ground torsional state as reported by Mesko et al.[1] 

GS_final.fit - Output file of the analysis of the curated line list corresponding to the ground torsional state.

GS_F0_old.fit - Output file of the analysis of the curated line list corresponding to the ground torsional state. In this fit, F0 was fixed at the value reported by Mesko et al.[1], in contrast to the results presented in Table 1, where F0 was fixed at the value experimentally obtained from the simultaneous analysis of the ground and first torsional state (nu24=1). 

nu24_Stahl.fit - Output file of the analysis of the original line list corresponding to the first torsional state (nu24=1) as reported by Stahl et al.[2]

nu24.fit - Output file of the analysis of the curated line list corresponding to the first torsionally excited state (nu24=1).

GS_nu24.fit - Output file of the simultaneous analysis of the curated line lists corresponding to the ground and first torsionally excited state.

nu17.fit - Output file of the analysis of transitions in the vibrationally excited state nu17=1.

References:
[1] A. Mesko, L. Zou, P. B. Carroll and S. L. Widicus Weaver, J. Mol. Spectrosc., 2017, 335, 49–53.
[2] . Stahl, B. E. Arenas, O. Zingsheim, M. Schnell, L. Margulès, R. A. Motiyenko, G. W. Fuchs and T. F. Giesen, J. Mol. Spectrosc., 2021, 378, 111445.

Note: The description of the process of line lists curation is given in Section 5.1.