%chk=After-NoCat.chk %nprocshared=4 %mem=6GB #p opt=(noeigentest,MaxCycles=900) iop(1/8=1) freq=noraman wb97xd/6-311G** nosymm scrf=(smd,solvent=butanone) IC 0 1 C -1.32835100 -0.48009700 -0.09095200 C -1.30351500 1.44242600 1.40559400 C -2.35699100 2.24728500 0.90635200 C -2.80455200 -0.65399300 1.83802700 H -1.31485400 1.26024000 2.48959000 H -0.65943900 2.37631800 1.29970000 H -2.72512200 3.04755300 1.54971200 H -3.00254300 -1.68777300 2.17489800 H -3.81523400 -0.20905500 1.73893400 O -2.44987600 -0.91106200 0.37972000 O -0.66925200 0.51788000 0.61085400 O -0.79433100 -0.87739600 -1.09324900 O -2.71894000 2.17082500 -0.30934700 H -3.29486500 2.91057300 -0.57075900