Dear Sir/ Madam, 

A few months ago I started using COSMOtherm for vapor pressure calculations and would like some clarification on the values printed in the output file, and the parameters used in the input.

Regarding the output, when setting the flag "wconf", the line "Log10(partial pressure [mbar])" is printed for each conformer of a compound. The questions are: I cannot use these values to compute the compound vapor pressure, neither taking a weighted average nor an arithmetic average, is that correct? Hence, the only way to compute the ensemble vapor pressure from the conformers' variables is by using their energies in the output, right? 

As for the parameters, what is the difference between the BP_TZVP_24, BP_TZVP_ELYTE_24, and BP_TZVPD_FINE_24 parameters? Which one is the recommended for vapor pressure calculations?

Yours sincerely,

Lucas Bandeira