%nproc=4%mem=3200MB#p SCRF(PCM,Solvent=Heptane) pop=(full,NBO) Int=SuperFineGrid B97D/genecp nosymm Title Card Required0 2 C -0.42746500 0.81353700 -0.04582600 H -0.07725800 -0.23216100 -0.07769900 H -0.06513000 1.32264500 -0.95394600 H -1.53009100 0.79857300 -0.07952300 C 0.06838900 1.51469800 1.23064000 H -0.27050400 2.56632900 1.23351800 H 1.17292400 1.54235100 1.23527500 C -0.42279600 0.82450100 2.51480800 H -0.08455700 -0.22839800 2.51566700 C 0.06635200 1.51613900 3.79897700 H -0.27253600 2.56776600 3.79438300 H 1.17089300 1.54378900 3.79606300 C -0.43152600 0.81641000 5.07544200 H -0.08137400 -0.22925200 5.10904000 H -0.07062600 1.32653400 5.98356300 H -1.53420300 0.80148700 5.10740900-H -B -C -N -O -F -Br 06-31g*****