%nprocshared=8 %mem=19800MB %NoSave %Chk=chk.chk %rwf=/tmp/pbs.3082041.cx1b/rwf # B3LYP/6-31G* scrf=(cpcm,solvent=DiMethylSulfoxide) 2-HoukListInterAldol-Ph ent syn -S HL TS step 2 0 1 O -2.03253700 -2.31960100 -0.33791500 H -1.03696300 -1.72669100 -0.90478700 O -3.09704700 -2.15744000 1.64563100 C 0.69493300 -1.22289200 -0.12482600 H 1.63340500 -0.10250300 2.50543900 H -2.18588100 0.65824100 -2.34381600 C 0.97225900 0.70244800 2.16448500 O -0.06284300 -1.24494800 -1.19948700 H -4.19337600 -0.84270700 -1.17402200 H -2.03744500 2.29702100 -1.69194300 C -2.44508600 1.30589400 -1.49788300 C 3.90595400 -0.01876300 -1.74269100 C -2.89298700 -0.15943000 0.41305800 H -4.21759400 2.17077200 -0.61044200 C -2.61936300 -1.68685100 0.61765400 C 4.45119900 -1.05852300 0.36979400 C -0.68273600 1.00515600 0.25184600 C -0.06363300 0.13911000 1.19740600 C -4.15172500 -0.00491400 -0.46942600 N -1.86923400 0.70573400 -0.27198900 H 5.91156900 -0.19696500 -0.96387200 H -0.74105600 -0.55690600 1.68668500 H -3.04801500 0.26974400 1.40628600 H -4.52960700 1.36309900 -2.15828300 C -3.94930000 1.30823200 -1.23251100 H -5.05924900 -0.02852600 0.13780900 C 2.13264700 -0.91333200 -0.34506400 H 2.79033700 -1.86322300 1.47759900 H 0.44018000 1.04633000 3.06462900 H 1.81248400 -0.03100200 -2.27699000 H 0.52343200 -2.02685500 0.59904700 H 4.22082100 0.46855500 -2.66175600 C 0.11940100 2.17577700 -0.27056400 H 5.18826300 -1.38158900 1.09993700 C 1.80494300 1.86065200 1.59838600 C 4.85764300 -0.39763800 -0.79142100 C 3.09880100 -1.32076700 0.58741500 C 2.55471000 -0.28046700 -1.52565400 H 0.81229000 1.80606500 -1.04038400 C 0.91673100 2.86010300 0.85625400 H -0.52359800 2.91299000 -0.75607900 H 2.56593100 1.47577600 0.91161300 H 0.21385600 3.33191000 1.55697000 H 1.51811300 3.66771200 0.42263100 H 2.33979500 2.36175500 2.41428400