%nproc=8 %mem=18200MB #p nosymm scrf=(pcm,solvent=water) ub3lyp/gen pseudo=(read) opt freq title 0 2 15 0 -3.879062 -1.455097 0.595834 46 0 -1.843045 -0.564553 -0.032676 15 0 -2.410028 1.369402 -1.163207 35 0 0.610599 -0.242965 -0.362409 9 0 -1.813609 1.588204 -2.621849 9 0 -1.963594 2.752676 -0.513888 9 0 -3.929754 1.743222 -1.478080 9 0 -3.987961 -2.995212 0.989138 9 0 -4.637622 -0.836355 1.851362 9 0 -5.079987 -1.398988 -0.447788 -C -F -H -P -Br 0 6-31+G(d,p) **** Pd 0 SDD **** Pd 0 SDD