Code used:

DUO, v. 217 (CCPForge)

Input:

Duo inputs for isotopologue 26Al-1H.

27Al-1H__AlHambra_model_Duo.inp

The input files contain experimental line positions and energy terms values used to build the model.  The PE, DM, SO and EAM functions are represented by expansion parameters as well as on grids of points. The Duo code can be accessed via http://www.exomol.com/software/.

Zero point energy (ZPE): 

 835.610193  cm-1 relative to J=0, v=0, e