%nprocshared=28 %chk=co2.chk #p opt freq pbe1pbe/sdd/def2tzv EmpiricalDispersion=GD3BJ scrf=(smd,solvent=acetonitrile) CO2 0 1 C 0.00000000 0.00000000 0.00000000 O 0.00000000 0.00000000 1.20583700 O 0.00000000 0.00000000 -1.20583700