I am trying to convert methane into methanol using Gaussian 09 .Till now I have achieved C-H activation in methane by gas-phase Rh2 cation but when I was trying to adsorb O2 in Rh2CH2 cation( intermediate after CH activation), I failed.I have been trying it for two weeks.Sometimes jobs are failed and sometimes it seems to be completed but leads to some horrible product. how could I proceed? Is there any special command?
I am using the following command
# opt=(calcfc,maxcycle=1000) freq=noraman ub3lyp/gen scf=qc int=ultrafine pseudo=read
basis set is 6-311+(d,p)