Theoretical Reims-Tomsk Spectral data

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(C) "Assigned" line-by-line lists of methane

"Assigned" libe-by-line lists contain the full quantum identification of each spectral line.

The lists contain 13 columns and are generated with the format
corresponding to
Nu (cm-1)   Int (cm/molecule) Plow Jlow Clow nlow Pup Jup Cup nup Vlow Vup  Elow (cm-1)

Isotopologue 12CH4

Line-by-line list of 12CH4 at 296K in range 970-1800 cm-1 for Dyad-GS transition  (12CH4_GS-dyad_j20_mixed-model_High-Res_list.txt.gz, 88KB);
Line-by-line list of 12CH4 at 296K in range 2160-3190 cm-1 for Pentad-GS transition  (12CH4_GS-pentad_j20_mixed-model_High-Res_list.txt.gz, 293KB);

#) High-resolution line lists in the Dyad and Pentad randes of 12CH4 were obtained with "mixed abinitio/effective" model as described in

Vl.G. Tyuterev, S.A. Tashkun, M. Rey, R.V. Kochanov,  A.V. Nikitin. , and T.Delahaye,  Accurate spectroscopic models for methane polyads derived from a potential energy surface using high-order Contact Transformations. J. Phys. Chem. A.,117, 13779-13805 (2013)

using MOL_CT program suite. This new polyad model derived from the NRT PES permitted generating a spectral line lists for the Dyad and
Pentad bands with the accuracy 10-3 - 10-4 cm-1 for line positions combined with ab initio predictions for line intensities.