#! /bin/sh $AMSBIN/ams << eor Symmetry SymmetrizeTolerance 0.001 End System Atoms O 2.220871067 0.026716792 0.000620476 H 2.597492682 -0.411663274 0.766744858 H 2.593135384 -0.449496183 -0.744782026 End Symmetrize Yes End task SinglePoint Engine adf symmetry nosym Basis Core None Type TZ2P end NumericalQuality GOOD Relativity Level None End XC hybrid pbe0 RPA SOSSX end EndEngine eor