%nprocshared=8 %mem=19800MB %NoSave %Chk=chk.chk %rwf=/tmp/pbs.3082007.cx1b/rwf # B3LYP/6-31G* scrf=(cpcm,solvent=DiMethylSulfoxide) 2-HoukListInterAldol-Ph anti -S HL TS step 2 0 1 C 0.98953700 -0.18342000 0.74043500 H -3.36875700 -1.28635000 -2.73309700 H -2.30736600 2.44154600 -0.51170100 C -0.40595900 3.21661000 0.19674100 H -2.87135200 -2.92082300 -2.26023600 C -3.59880500 -1.66281300 -0.59959300 H -3.33087600 -2.46543100 0.09684100 H -4.68770500 -1.63730200 -0.67227500 H -1.83660100 1.83038700 1.06232600 H -0.92962900 4.16260900 0.37315800 C 0.47419400 0.72846200 -0.91676100 H 0.72686400 -0.10169700 -1.57020600 N -1.73529600 -0.18303600 -0.76949300 H 0.86224100 0.65689300 1.43937000 C -1.44482900 2.09022700 0.07327800 C -0.91358000 0.84847000 -0.61065200 O 0.19356200 -1.21082200 0.90762400 C 1.28712600 1.99477400 -1.19659000 H -3.69482500 0.50988600 -0.36544700 C -3.04071200 -0.31902100 -0.07842000 C -1.48070300 -1.33813100 -1.66837900 C -2.96898400 -0.32011600 1.48227800 H -0.17125800 3.42696700 -1.93804200 C 2.43254900 -0.50336900 0.48556500 H 1.14137200 4.15224700 -1.01366100 O -4.03652300 -0.13140100 2.04858600 O -1.82480900 -0.54269300 2.04680400 H -0.84253000 -0.89445900 1.43130000 H -0.96110500 -0.99501200 -2.56719500 C -2.88776800 -1.87429100 -1.94207300 H -0.85599600 -2.07208800 -1.15440700 C 0.46938700 3.28725400 -1.05531400 H 1.71245900 1.92945100 -2.20547200 H 2.14977800 2.03836200 -0.52035200 H 0.22825900 3.04479800 1.07651300 C 5.13450000 -1.13062500 0.04963000 C 3.44535100 0.34420300 0.95263800 C 2.78968800 -1.68136400 -0.18657900 C 4.12949100 -1.99038000 -0.40565700 C 4.78956900 0.03430600 0.73458400 H 3.18195300 1.23880300 1.51225500 H 2.00567400 -2.35799500 -0.51244800 H 4.39428700 -2.90782700 -0.92488500 H 5.56433800 0.69813400 1.10880800 H 6.17969300 -1.37518100 -0.11959500