geomtyp=xyz; geometry={ 3 O 0.000000000000 0.000000000000 0.347935996933 H 0.903964236600 0.000000000000 -0.173967998467 H -0.903964236600 0.000000000000 -0.173967998467 } basis={ default=cc-pV(T+d)Z-PP } {RHF} {OPTG} {FREQ}