$ Rungauss #hf/6-31++g** DENSITY=ALL 6D OUTPUT=WFN GEOM=COORD UNITS=AU Formate anion 6-31++G** -1 1 C 0.00000000 0.00000000 0.57942804 O 0.00000000 2.11695431 -0.38686460 O 0.00000000 -2.11695431 -0.38686460 H 0.00000000 0.00000000 2.71326541 hco2.wfn