%nprocshared=8 %mem=20000MB %chk=co2.chk #p opt freq 6-311g(d,p) scrf=(smd,solvent=butanone) b97d3 carbon dioxide 0 1 C -1.97111515 1.96143736 -0.02580327 O -0.71271515 1.96143736 -0.02580327 O -3.22951515 1.96143736 -0.02580327