All calculations within this directory were performed with DLPNO/def2-TZVPP//B3LYP/6-311+G(d,p)/EC-RISM(p)
The file intraenergy contains the intramolecular energy 
The file myex contains the unccorected myex
The file pmv contains the pmv_h
The file pmvcor_energy contains the pmv corrected G
The file pmv_fitenergy contains the G resulting from the intragration over vm(p)
The file pmvcor_pop containts the populations based on the pmv corrected G
The file ecrism_thermcorr_energy contains the pmv correct G with additional thermal corrections based on B3LYP/6-311+G(d,p)/PCM calculations
The file ecrism_thermcorr_pop containts the pmv correct populations with additional thermal corrections based on B3LYP/6-311+G(d,p)/PCM calculations
The file ecrism_thermcorr_fit_energy containts the G resulting from the intragration over vm(p) with additional thermal corrections based on B3LYP/6-311+G(d,p)/PCM calculations
The file ecrism_thermcorr_fit_pop containts the populations resulting from the intragration over vm(p) with additional thermal corrections based on B3LYP/6-311+G(d,p)/PCM calculations

