12C21H2 aCeTY spectroscopic model

Code used: TROVE

Version j-trove_2510.x (2019)

See on GitHub and also the TROVE manual. 

INPUTS:

12C2-1H2__aCeTY__TROVE.model

A line list production is based on 4 steps. The input file is for the final, intensity step. 

The TROVE input contains a refined PES  and ab initio DMS parameters (in terms of rectilinear linearised coordinates) as well as the full specification of the basis set. 

ZPE =  6360.5 cm-1. 

Links

12C2-1H2__aCeTY__TROVE.model

References

  1. Chubb, K. L., Tennyson, J., Yurchenko, S. N., "ExoMol molecular line lists - XXXVII: spectra of acetylene", Monthly Notices of the Royal Astronomical Society 493, 1531-1545 (2020). [link to article][20ChTeYu.C2H2]