%chk=CO2-B3LYP.chk %nprocshared=4 %mem=6GB #p opt freq=noraman b3lyp/6-311G** EmpiricalDispersion=GD3BJ nosymm scrf=(smd,solvent=butanone) IC 0 1 C -0.23913000 0.75362300 0.00000000 O -1.39517500 0.75362300 0.00000000 O 0.91691500 0.75362300 0.00000000