%nprocshared=12 %mem=18GB #p freq=noraman gen scrf=(solvent=acetonitrile) nosymm cphf=maxinv=12000 m06 pseudo=read opt=modredundant Reactant 1 1 N 1.66937300 -1.57802400 -1.47260100 C 2.74253900 -2.35654700 -1.27286700 C 1.28772500 -1.25229700 -2.72989300 C 3.49940400 -2.83795600 -2.33006200 C 2.01008300 -1.69965600 -3.82992800 C 3.12974100 -2.49724700 -3.62679400 H 4.36350900 -3.46455900 -2.12977200 H 1.70155200 -1.43357300 -4.83706900 H 3.70625000 -2.85152500 -4.47764700 N -0.51725300 -0.19327600 -1.60948700 C 0.06902700 -0.44084700 -2.80522600 C -1.67613400 0.49224900 -1.55062400 C -0.47399100 0.03986100 -3.98930100 C -2.25116400 1.01133400 -2.70946000 C -1.64182700 0.79052300 -3.93612400 H 0.00848600 -0.16036000 -4.94157600 H -3.18798000 1.55836400 -2.63689600 H -2.08145200 1.18311800 -4.84967800 N -2.52567700 -0.49418200 0.45107100 C -3.11953100 -0.42039400 1.64558800 C -2.34584900 0.64281900 -0.23746700 C -3.56210600 0.80472600 2.19014800 C -2.75933600 1.89200800 0.20205600 C -3.37921500 1.95761600 1.45622500 H -4.03603800 0.82581100 3.17007000 H -2.58516500 2.78480300 -0.39443600 H -3.71254600 2.91477500 1.85301600 C 2.55476600 0.39512300 0.94875800 H 2.70899000 0.63586500 -0.10513400 H 2.19818900 1.21733800 1.56329400 H 3.32324200 -0.23730600 1.38672800 Pt 0.58723300 -0.73933900 0.07693800 O 0.05736500 -0.07743000 1.91572700 O 1.24412900 -0.79894500 1.95534300 H 2.98612900 -2.58741000 -0.23791900 H -3.21827954 -1.34972269 2.20656653 B 34 28 F B 32 34 F B 32 28 F -Pt 0 lanl2dz F 1 1.0 0.9930000 1.0000000 **** C H N O 6-31+g(d) ****** -Pt 0 lanl2dz