%nprocshared=4 %mem=8GB #p opt freq nosymm scrf=(smd,solvent=acetonitrile) opbe/genecp cphf=(maxinv=12000,conver=7) Title Card Required 0 3 O -1.99999993 1.16326529 0.00000000 O -0.67999993 1.16326529 0.00000000 -C -H -N -O 6-31+g(d) ******