Abstract

The MIRS spectroscopic software for the modeling of ro-vibrational spectra of polyatomic molecules is presented. It is designed for the global treatment of complex band systems of molecules to take full account of symmetry properties. It includes efficient algorithms based on the irreducible tensor formalism. Predictions and simultaneous data fitting (positions and intensities) are implemented as well as advanced options related to group theory algebra. Illustrative examples on CH 3D, CH 4, CH 3Cl and PH 3 are reported and the present status of data available is given. It is written in C ++ for standard PC computer operating under Windows. The full package including on-line documentation and recent data is freely available at the URL: http://www.u-bourgogne.fr/LPUB/MIRS.html.

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