%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 -1.50343653 0.80496673 0.00000000 C 0.07990569 1.53090983 1.25740497 H -0.27515066 2.54028292 1.25642745 H 1.14990388 1.52920314 1.25838372 C -0.43573396 0.80657957 2.51480762 H -0.08098501 -0.20290177 2.51559569 H -1.50573174 0.80861237 2.51401717 C 0.07805008 1.53222226 3.77221314 H -0.27663157 2.54172721 3.77138290 H -0.28028616 1.02900149 4.64586295 H 1.14804769 1.53011818 3.77304507-H -B -C -N -O -F -Br 06-31g*****