Calculation COSMO activity coefficient for riluzole drug and carbon dioxid

[mohammadamin73]

Hello Prof.Paula Bettio Staudt I want to do the calculations for the riluzole drug and carbon dioxide. I drew the structure through wxMacMolplt software and then converted it to (file.inp) with optimization and DFT calculation. Then, use from the OPENBABEL software, the file was converted to (file.mol) .The structure of two materials and (file.mol) is attached. reregardingaboutcosmoactivitycoefficient (2).zip