I am running CHelpG charge calculations in Gaussian for complex containing Fe(III). The error message I am getting is that the program cannot find vdw radii. I tried several inputs and non of them worked i.e. program could not read in vdw radii from input. Any suggestions how to fix this?
%nprocshared=8 %mem=16GB %chk=CTB.chk #n opt b3lyp/gen pseudo=read pop=(chelpg,readradii) SCF=xqc 01 Fe -6.41954 5.21611 0.61820 N -4.38490 3.87720 0.35349 ... Si -4.56223 2.62299 -0.94219 Si -3.64688 3.30158 1.90422 Fe 1.24