%chk=TS-Prod-Isom.chk %nprocshared=8 %mem=22GB #p opt=(calcfc,noeigentest,ts) iop(1/8=1) freq=noraman b97d3/6-311G** nosymm scrf=(smd,solvent=butanone) IC -1 1 O 2.23432700 9.01071800 -5.88293500 C 2.38682600 9.71643900 -4.73430400 C 3.88625300 10.03788200 -4.65319200 H 2.09638500 9.17115900 -3.80532400 H 1.83210300 10.68786600 -4.70054400 H 4.19849400 10.77849300 -3.91666300 C 4.68020100 8.72359600 -4.62975900 H 4.18752300 7.95520700 -4.02749700 H 5.71086300 8.85379500 -4.28234800 O 4.69196500 8.34081500 -6.00062200 C 4.04105600 9.34029000 -6.70825300 O 4.17816900 10.50071500 -5.96855700 O 3.98248600 9.32164400 -7.91370400