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\title{\textit{AB INITIO} LINE LIST FOR DISULFUR MONOXIDE UP TO 1800 CM$^{-1}$}

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\author{\FirstName OLEG \LastName EGOROV}
\address{Laboratory of Theoretical Spectroscopy, V.E. Zuev Institute of Atmospheric Optics SB RAS 1, Akademician Zuev Sq., Tomsk, 634055 Russia, Faculty of Physics Tomsk State University 36, Lenin Ave., Tomsk, 634050 Russia}

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\author{\underline{\FirstName MICHA\"{E}L \LastName REY}}
\address{Groupe de Spectrom\'etrie Mol\'eculaire et Atmosph\'erique UMR CNRS 7331, UFR Sciences BP 1039, 51687 Reims Cedex 2, France}

\author{\FirstName ROMAN V. \LastName KOCHANOV,
\FirstName ANDREI V. \LastName NIKITIN}
\address{Laboratory of Theoretical Spectroscopy, V.E. Zuev Institute of Atmospheric Optics SB RAS 1, Akademician Zuev Sq., Tomsk, 634055 Russia, Tomsk State University 36, Lenin Ave., Tomsk, 634050 Russia}

\author{\underline{\FirstName VLADIMIR \LastName TYUTEREV}}
\address{Tomsk State University 36, Lenin Ave., Tomsk, 634050 Russia,
Laboratory of Theoretical Spectroscopy, V.E. Zuev Institute of Atmospheric Optics SB RAS 1, Akademician Zuev Sq., Tomsk, 634055 Russia}



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\fancyhead[C]{{\footnotesize \textit{HRMS, 28th Colloquium, Dijon, France,
  Aug. 28 - Sept. 1, 2023}}}
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\index{Disulfur monoxide}
\index{S2O}
\index{Ab initio}
\index{Line list}
\index{Potential energy surface}
\index{Dipole moment surface}


The line list for the main isotopologue of disulfur monoxide ($^{32}$S$_{2}$$^{16}$O) was variationally computed using both accurate \textit{ab initio} potential energy (PES) and dipole moment surfaces (DMS). 
The applied \textit{ab initio} PES\footnote{
\href{https://doi.org/10.1016/j.cplett.2022.140216}{doi:10.1016/j.cplett.2022.140216},
O. Egorov, M. Rey, R. V. Kochanov, A. V. Nikitin, V. Tyuterev, \textit{Chem. Phys. Lett.},
\textbf{811}, 140216, (2023).} allows to describe the experimental band origins of $^{32}$S$_{2}$$^{16(18)}$O within the error of 0.5 cm$^{-1}$. 
The \textit{ab initio} DMS was constructed \textit{via} the finite difference approximation using the CCSD(T)/aug-cc-pV5Z approach. 
The final line list covers the 0-1800 cm$^{-1}$ region and contains more than one million transitions with the intensity cutoff value of 10$^{-25}$ cm/molecule. 
The simulated absorbances agree well with the available measurements, particularly, in the regions of the $\nu$$_{2}$ (380 cm$^{-1}$)\footnote{
\href{http://dx.doi.org/10.1016/j.jms.2015.02.014}{doi:10.1016/j.jms.2015.02.014},
M.A. Martin-Drumel, C.P. Endres, O. Zingsheim et al. \textit{J. Mol. Spectrosc.},
\textbf{315}, 72-79, (2015).} and $\nu$$_{3}$ (679 cm$^{-1}$)\footnote{
\href{http://dx.doi.org/10.1016/j.jms.2015.12.009}{doi:10.1016/j.jms.2015.12.009},
S. Thorwirth, M.A. Martin-Drumel, C.P. Endres et al. \textit{J. Mol. Spectrosc.},
\textbf{319}, 47-49, (2016).} fundamental bands. The integrated intensities of the strongest cold and hot bands located in the 0-1800 cm$^{-1}$ region are presented.

This work was supported by a Grant from the RF Ministry of Education and Science for the project SACHA: (N 075-15-2021-1412, contract identifier RF2251.62321X0012) in a framework of bilateral French-Russian ``Kolmogorov'' 
(PHC) cooperation program (2021-2251-$\Pi\Pi$408) for Science and Technology. 
The support from the ROMEO computer center of Reims-Champagne-Ardenne as well as from the French-Russian collaboration program IRP SAMIA2 is also acknowledged.


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