%nproc=4%mem=7200MB#p SCRF(PCM,Solvent=Heptane) opt=(tight) Int=SuperFineGrid Freq=DiagFull B97D/genecp nosymm scf(maxcyc=100)Title Card Required0 1 C -0.43343653 0.80495355 0.00000000 H -0.07678210 -0.20385645 0.00000000 H -0.07676369 1.30935174 0.87365150 H -0.07676369 1.30935174 -0.87365150 H -1.50343653 0.80496673 0.00000000-H -B -C -N -O -F -Br 06-31g*****