%NProcShared=8 %mem=24gb %chk=red1_H12C12O2Si_m062xdef2tzvp_373diosmd.chk #p opt=(rcfc,maxcyc=300) rm062x/def2tzvp scrf=(solvent=1,4-dioxane,read,smd) pop=(nbo,savenbos) int=grid=ultrafine scf=(save,xqc) temperature=373.15 empiricaldispersion=gd3 guess=(read,save) geom=check HO2SiPh2 - Dioxane - MauroFianchini - 25/3/2016 0 1 tabs=373.15 Eps=2.07913 EpsInf=1.92280 surfacetensionatinterface=32.13 alpha=1.2 --Link1-- %NProcShared=8 %mem=24gb %chk=red1_H12C12O2Si_m062xdef2tzvp_373diosmd.chk #p freq=noraman rm062x/def2tzvp scrf=(solvent=1,4-dioxane,read,smd) pop=(nbo,savenbos) int=grid=ultrafine scf=(save,xqc) temperature=373.15 empiricaldispersion=gd3 guess=(read,save) geom=check HO2SiPh2 - Dioxane - MauroFianchini - 25/3/2016 0 1 tabs=373.15 Eps=2.07913 EpsInf=1.92280 surfacetensionatinterface=32.13 alpha=1.2