%nproc=4%mem=3200MB#p SCRF(PCM,Solvent=Heptane) pop=(full,NBO) Int=SuperFineGrid B97D/genecp nosymm Title Card Required0 2 C -0.43289700 0.80598600 -0.03081400 H -0.08258400 -0.23978100 -0.05999900 H -0.07307800 1.31187000 -0.94168500 H -1.53563000 0.79079900 -0.06162400 C 0.06615000 1.51161000 1.24185200 H 1.17081300 1.53951700 1.24408500 C -0.42172200 0.82569800 2.53036000 H -0.08276000 -0.22604800 2.52971200 H -1.52638600 0.79778800 2.52812600 C 0.07731900 1.53132500 3.80302700 H -0.27299400 2.57709200 3.83220900 H -0.28250300 1.02544300 4.71389800 H 1.18005100 1.54651300 3.83384000-H -B -C -N -O -F -Br 06-31g*****