%nprocshared=8 %mem=18GB #p freq=noraman gen scrf=(solvent=acetonitrile) nosymm cphf=(maxinv=12000,conver=8) m06 pseudo=read opt=(maxstep=15) Reactant 1 1 N 0.45843300 -2.11866500 -0.56076500 C 0.57761200 -3.23604300 0.18818900 C -0.20706100 -2.18890400 -1.76774400 C 0.15733900 -4.49351600 -0.31785900 C -0.65450200 -3.38388800 -2.27977900 C -0.44240900 -4.56158400 -1.54635100 H 0.30428200 -5.37732000 0.29585300 H -1.18135600 -3.41341000 -3.22863700 H -0.78184200 -5.51716000 -1.93879800 N -0.09560200 0.16980100 -1.75570000 C -0.43824500 -0.91188200 -2.46709100 C -0.11078900 1.42239300 -2.23205600 C -0.94198500 -0.74091500 -3.75432700 C -0.60620200 1.64981000 -3.51364100 C -1.03651500 0.55430000 -4.25867700 H -1.23553400 -1.58963100 -4.36444800 H -0.64661000 2.64830700 -3.93981100 H -1.42435500 0.71046800 -5.26124600 N 0.99008400 1.95335100 -0.13240800 C 1.38060600 2.83742100 0.81080000 C 0.43430300 2.42805100 -1.30386400 C 1.38061600 4.22593500 0.54214600 C 0.38205400 3.77461100 -1.58470100 C 0.89358500 4.68774000 -0.65068300 H 1.74912300 4.90567900 1.30639500 H -0.06167200 4.12880800 -2.51197800 H 0.87626200 5.75217100 -0.86307600 C 2.54179300 -0.46879200 1.30908000 H 2.22493800 -0.54912600 2.36146900 H 3.06335400 -1.39274700 1.03061400 H 3.23908800 0.37295000 1.22147200 Pt 1.00298200 -0.15760300 -0.04988000 O -0.44672800 -0.44341900 1.68131500 O -0.85242600 0.68909700 2.20258200 N 1.12037200 -3.16217300 1.42001700 H 1.15382700 -2.26288100 1.89241400 H 1.05286200 -3.97312200 2.02200000 N 1.79427000 2.38694700 2.01753200 H 1.47301700 1.48009000 2.33210700 H 1.90535200 3.07576000 2.75222900 -Pt 0 lanl2dz F 1 1.0 0.9930000 1.0000000 **** C H N O 6-31+g(d) ****** -Pt 0 lanl2dz