%nprocshared=8 %mem=20000MB #p b3lyp cc-pVTZ opt=(calcfc,ts,noeigentest,maxstep=2) freq scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3 nosymm TS2_OH 0 1 C 3.499183000 2.016415000 -0.851094000 C 2.136744000 2.313166000 -0.842772000 C 1.193613000 1.347045000 -1.243648000 C 1.640953000 0.081008000 -1.674583000 C 3.001438000 -0.207644000 -1.686258000 C 3.932952000 0.755704000 -1.271742000 H 1.794648000 3.290971000 -0.514775000 H 0.935563000 -0.678295000 -1.996253000 H 4.993602000 0.521511000 -1.281684000 N -1.206904000 0.983654000 -1.532094000 C -2.611369000 1.411409000 -1.550558000 H -2.668396000 2.382630000 -1.050863000 H -2.904240000 1.547155000 -2.598990000 H -1.047888000 -0.020174000 -1.600748000 H -0.560786000 -0.595067000 1.625486000 C -0.204081000 1.735704000 -1.221172000 H -0.435974000 2.771035000 -0.980107000 O -0.758846000 -0.043925000 0.853493000 C -3.511698000 0.381801000 -0.867837000 H -3.102915000 0.187626000 0.130130000 H -3.458446000 -0.564251000 -1.425072000 H 4.218022000 2.764852000 -0.531896000 H 3.341256000 -1.184619000 -2.016476000 C -4.968019000 0.854881000 -0.802804000 H -5.330315000 1.082098000 -1.815497000 H -5.017681000 1.794707000 -0.236000000 C -5.887673000 -0.183511000 -0.151802000 H -6.923201000 0.172877000 -0.107591000 H -5.881065000 -1.124443000 -0.715739000 H -5.565449000 -0.407471000 0.872163000