All calculations within this directory were performed with MP2/6-311+G(d,p)//B3LYP/6-311+G(d,p)/EC-RISM
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 subdirectory structures contains the structures
The subdirectory shifts contains the NMR shifts calculated with direct referencing
The subdirectory shiedling contains the raw shieldings