%nproc=4%mem=3200MB#p SCRF(PCM,Solvent=Heptane) pop=(full,NBO) Int=SuperFineGrid B97D/genecp nosymm Title Card Required0 2 C -0.43343700 0.80495400 0.00000000 H -0.07678200 -0.20385600 0.00000000 H -0.07676400 1.30935200 -0.87365200 C 0.07990600 1.53091000 1.25740500 H -0.27515100 2.54028300 1.25642700 H 1.14990400 1.52920300 1.25838400 C -0.43573400 0.80658000 2.51480800 H -0.08098500 -0.20290200 2.51559600 H -0.07875400 1.31076000 3.38846000 H -1.50573200 0.80861200 2.51401700-H -B -C -N -O -F -Br 06-31g*****