%chk=TS-NoCat.chk %nprocshared=8 %mem=20GB #p opt=(ts,calcfc,noeigentest,MaxCycles=900) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone) IC 0 1 C -1.32625800 -0.47728000 -0.10403600 C -1.35378300 1.38597900 1.42026400 C -2.34542200 2.25696000 0.91471400 C -2.76365100 -0.62515000 1.82440400 H -1.26708100 1.26810900 2.49371600 H -0.82523500 2.46379200 1.21893100 H -2.74082600 3.03606800 1.56373100 H -2.94003700 -1.64013600 2.22099400 H -3.76464600 -0.15743900 1.75684900 O -2.44355300 -0.91719800 0.38814300 O -0.67500200 0.53622200 0.58766100 O -0.79752200 -0.88532100 -1.10792900 O -2.72536600 2.16423000 -0.32351900 H -3.26948300 2.93048800 -0.58574900