%nprocshared=8 %mem=20000MB %chk=ts_aAK_amHC.chk #p opt=(calcfc,ts,noeigentest) freq 6-311g(d,p) scrf=(smd,solvent=butanone) b97d3 TS for aAK <-> amHC -1 1 C -1.40998500 1.77545700 -1.44117300 C -0.43465600 0.59936000 -1.55931200 C -1.18136400 2.82007900 -0.33070200 H -2.42123700 1.35290100 -1.35944900 C -0.07994700 -0.40611100 -0.52645400 C 0.56917800 -0.24577900 0.83650800 H 0.21472800 -1.35431600 -0.96863100 C -1.64032300 2.33612900 1.01727800 H -1.73244000 3.73186800 -0.59873600 H -0.11569500 3.08350800 -0.31991000 C -0.90365900 1.57428400 1.83664800 H -2.67200800 2.56575100 1.29336100 C 0.49467500 1.12930600 1.52497800 H 0.11085700 -0.99994800 1.48520600 H -1.34743500 1.19948400 2.76106200 H 1.08213500 1.03719400 2.44797600 H -1.35760900 2.29056200 -2.41357600 H 1.00598400 1.84564300 0.87288200 O 0.94078200 0.88336900 -1.56441300 H -0.75116400 0.04850500 -2.46534900 Br -2.35524100 -1.75351800 0.02345000 O 1.95286500 -0.64583500 0.70538800 C 4.13497000 -0.60375800 -0.04663600 O 4.54678576 -1.38236611 0.73527815 O 4.03205718 0.17552190 -0.92277081 H 1.95292747 0.28530274 -0.66693596