%nproc=8 %mem=22000MB #p SCRF(PCM,Solvent=Heptane) opt=(tight) Int=SuperFineGrid Freq B97D/genecp nosymm scf(maxcyc=100) Title Card Required 0 1 N -3.44299918 -0.83541559 1.59223209 N -2.25467853 -0.54467050 1.44668026 -H -B -C -N -O -F -Br 0 6-31g* **** -Ag 0 lanl2dz **** -Ag 0 lanl2dz