%nprocshared=8 %mem=20000MB %chk=epoxide_original_b97d3.chk #p opt freq b97d3/6-311g(d,p) scrf=(smd,solvent=Butanone) original epoxide (5,6 respect to double bond) 0 1 C 1.20107100 1.16585400 -0.38302700 C 1.38726700 -0.25998400 -0.71910500 O 2.29069800 0.39401400 0.20978000 C 0.08898000 1.70988500 0.48959700 H 1.57118300 1.87954500 -1.13692500 H 1.84434500 -0.48647200 -1.69562500 C 0.57062700 -1.42915500 -0.15632300 C -0.85743300 -1.49052700 -0.77636500 O 0.49641400 -1.39388700 1.26455700 H 1.10861100 -2.35063900 -0.47095000 C -1.28060400 1.64618800 -0.25899400 H 0.33355000 2.75217100 0.76004100 H 0.02764500 1.12704200 1.42151800 C -2.15412500 0.50528600 0.21546400 H -1.82295700 2.59551700 -0.12001500 H -1.09355900 1.56064300 -1.34801400 C -1.95478800 -0.81413800 0.02014900 H -0.79654600 -1.06048400 -1.79612300 H -1.13196300 -2.54967500 -0.90795800 H -3.00974800 0.78954700 0.84137700 H -2.65961100 -1.49662100 0.50941200 H 1.32618000 -0.96204300 1.56019300