%mem=23GB %nprocshared=8 #p scrf=(solvent=n,n-DiMethylFormamide,smd) b97d genecp opt freq=noraman opt 0 1 C 1.64757300 -1.19367400 -0.88019400 C 1.15997200 0.19952400 -0.46244400 H 1.13373600 -1.58308900 -1.79407700 H 1.31459600 0.84869700 -1.34252900 O 2.49097500 -1.85642400 -0.29807900 C 1.90315900 0.75830900 0.72993900 C 2.59027200 1.90945000 0.70830300 H 1.84067300 0.16936100 1.64943700 H 3.10111600 2.28514800 1.59921300 H 2.66333500 2.51330400 -0.20196900 C -0.34944400 0.10555400 -0.20814900 C -1.14636386 -0.76166976 -0.98443508 C -0.95872955 0.87979236 0.79731130 C -2.52651807 -0.86011193 -0.75006384 H -0.68407218 -1.36035352 -1.77230179 C -2.33969389 0.78182485 1.03256551 H -0.34458571 1.55444083 1.39814198 C -3.12684713 -0.08899286 0.26000493 H -3.13239244 -1.53558935 -1.35774324 H -2.79953838 1.38450670 1.81878003 H -4.20059948 -0.16588883 0.44317543 C O H 0 6-31g(d) ****