12C1H3 AYYJ spectroscopic model

Code used:

Trove, version j-trove0603_v18.1.x

Input:

The TROVE input contains all the ab initio PES and DMS parameters as well as the full specification of the basis set. 

ZPE = 6475.556 cm-1. 

Links

12C-1H3__AYYJ__model_TROVE.inp

References

  1. Adam, A. Y., Yachmenev, A., Yurchenko, S. N., Jensen, P., "Variationally Computed IR Line List for the Methyl Radical CH3", The Journal of Physical Chemistry A 123, 4755-4763 (2019). [link to article][16AdYaYu.CH3]