%nprocshared=8 %mem=20000MB %chk=ts_aAK_amAK.chk #p opt=(calcfc,ts,noeigentest) freq b97d3/6-311g(d,p) scrf=(smd,solvent=butanone) TS for aAK <-> amAK (proton migration) -1 1 C -0.32029300 0.61644700 1.45932900 C 0.43537200 -0.55804900 0.76514500 O -1.48311800 0.08798800 1.94278800 C -0.50486700 1.94005400 0.65572100 H 0.39014400 0.92850700 2.28166400 C -0.35300400 -1.57735000 -0.09603800 C -0.96634200 -1.09780300 -1.44032700 O -1.34106000 -2.14033600 0.76123900 H 0.36688300 -2.37144200 -0.35688800 C -1.00849300 1.85276200 -0.80049000 H 0.44251600 2.50221100 0.64692900 H -1.21956300 2.52191100 1.25860900 C -2.24469200 1.02094300 -0.98373900 H -1.19589300 2.87636200 -1.16181100 H -0.19476600 1.44606900 -1.41447600 C -2.22402300 -0.28369900 -1.28704900 H -0.19540900 -0.55120500 -2.00150800 H -1.19360900 -2.00619100 -2.01560900 H -3.20555600 1.51157300 -0.80942700 H -3.16806800 -0.82798100 -1.34034200 H -1.66054659 -1.09003870 1.45751761 H 0.90046200 -1.15070400 1.55773900 Br 2.15942700 0.03895300 -0.26366900