I had a naive question. If I want to calculate NAC b/w S0 and S1 for my molecule, what optimised geometry should I be using (ground or es).
Hi Harsh, this is a research question, which your PI can address. The Q-Chem Talk Forum is a platform for addressing technical questions related to the Q-Chem software. Anyway, the appropriate geometry would depend on whether you want to study excitation or decay pathways. I suggest you refer to the computational protocols in publications related to your research topic.