%nproc=1 %Mem=1000MB %Chk=B9_CO2_ext #p SCRF(SMD,Solvent=o-Xylene) B97D/gen nosymm # scf(maxcyc=400,XQC) gfinput gfprint pop=full opt freq 0 1 C -0.85889600 2.22392600 0.00000000 O 0.31861700 2.22392600 0.00000000 O -2.03640900 2.22392600 0.00000000 O C 0 6-311++G** ****