Can anyone help me to run a geometry optimization and frequency calculation using B2PLYP-D3 functional including the DFT-D3 dispersion correction? I went through Gaussian manual, however, it was not very clear to me.
%NProcshared=4 %Mem=4gb %chk=fohsdft3 # B3PLYP/aug-cc-pVDZ opt freq scf=tight Input file taken from fohsdft 0 1 O -3.46278 2.54045 0. H -2.50278 2.54045 0. H -3.78324 3.44539 0.
We have the Gaussian 09 Revision C.01 version.