%mem=22GB %nprocshared=12 #p scrf=(solvent=n,n-DiMethylFormamide,smd) b97d genecp opt freq=noraman opt 0 1 C 0.94109000 0.84274500 1.98757600 C 1.26519200 -0.28468100 1.01556900 H 0.11968100 0.54905700 2.66301000 H 1.82141900 1.06513800 2.60914000 O 0.62552900 2.08375000 1.32542900 C 0.36182400 -1.23857500 0.67306000 C -1.04277000 -1.42083600 1.17887500 H 0.65368900 -1.96487200 -0.08958900 H -1.18432200 -2.47975800 1.45376200 H -1.25870500 -0.81194000 2.06666000 C 2.62059600 -0.28134700 0.39452600 C 3.30183500 0.93367500 0.13564200 C 3.27476600 -1.49271700 0.05995800 C 4.57634500 0.93457700 -0.45193500 H 2.81084100 1.87689700 0.37516900 C 4.54697100 -1.49043700 -0.52977400 H 2.78719300 -2.44291100 0.28613100 C 5.20532000 -0.27563200 -0.79044200 H 5.07730400 1.88528300 -0.64954500 H 5.03131700 -2.43926300 -0.77220700 H 6.19860400 -0.27347100 -1.24457600 C -2.13635900 -1.08522700 0.10799800 H -0.09719100 1.88519300 0.70215300 C -2.01834800 0.37103100 -0.34249100 C -2.62895700 1.40743100 0.39307800 C -1.19850600 0.71487100 -1.43772300 C -2.44472900 2.75125600 0.02990000 H -3.25071800 1.15862000 1.25322500 C -1.01492600 2.05858900 -1.80628400 H -0.68478100 -0.06700900 -2.00056700 C -1.64183700 3.08184900 -1.07659500 H -2.92131100 3.53921100 0.61646300 H -0.37424100 2.30247500 -2.65593100 H -1.49590000 4.12670900 -1.35730800 C -3.51362600 -1.48034300 0.64307800 C -3.77327599 -2.54782657 1.41822738 H -4.30143952 -0.74842547 0.44071635 H -4.77685424 -2.71790187 1.81659383 H -3.00585101 -3.28737565 1.65837095 C -2.06573400 -2.04530000 -1.10131700 O -1.48281800 -3.11741800 -1.12259300 H -2.68775900 -1.70103600 -1.96298500 C O H 0 6-31g(d) ****