%nprocshared=12 %chk=input.chk # opt freq b3lyp/6-31g(d) Gaussian input prepared by ASE 0 1 C -0.6184823400 -0.5151624200 0.3663652700 H -1.0128927800 -1.5313314200 0.2245587000 H -0.4833955600 -0.3032734100 1.4323668600 O 0.6095826100 -0.5474969200 -0.3008445200 O -1.4817362800 0.4600726100 -0.1226901200 H -1.6807197400 0.2818039600 -1.0501759400 O 1.4606252000 0.4921409800 0.1348418000 H 1.2059791100 1.2674470600 -0.3899633200