%chk=Water-M062X.chk %nprocshared=4 %mem=6GB #p opt freq=noraman m062x/6-311G** nosymm scrf=(smd,solvent=butanone) IC 0 1 O -0.04775000 1.25107100 0.00000000 H 0.91050000 1.30098500 0.00000000 H -0.32060700 2.17106200 0.00000000