Hi! I try to parse Q-Chem output files to get Total energy, enthalpy and entropy. For enthalpy and entropy after I multiply parsed values by *627.50947414 (or 627.50947414/298.15) I get exactly the same values as in the output itself.
I want to convert all data to kcal/mol so they are converted the same way.
For benzil azide I have optimization converged with E = -434.745359847755 h (or E627.50947414 = -272806.8321428698)

It seems that for conversion, a value 'Hartree energy in eV' from CODATA 2010 is used. is that correct 27.21138505?

Since many calculations are now performed with SMD models, there will be too many sci energies in the output. Is there a way to correctly parse energy from ** OPTIMIZATION CONVERGED ** step. I seems that it is very easy to fins this specific lie in the output files.
I also need energy for TS geometry and in this case .min(), or [-1] will not help as well.
Could you please advise?