All calculations within this directory were perfomed with B3LYP/6-311+G(d,p)/EC-RISM//B3LYP/6-311+G(d,p)/EC-RISM(p-dep)
In the subdirectory structures, the optimized structures can be found
ecrism_energy contains the uncorected G = E_sol +Myex
ecrism_esol contains intramolecular energy E_sol
ecrism_myex contain uncorrected myex
ecrism_gcorr contains pmv-corrected G
ecrism_myexcorr containt pmv-corrected myex
