#! /bin/sh $AMSBIN/ams << eor Task SinglePoint Properties NormalModes true End System Atoms [Bohr] O 0.00000000 0.00000000 10.07360092 H 0.00000000 0.00000000 11.92639908 End Charge -1 End Engine DFTB Model SCC-DFTB ResourcesDir Dresden Repulsion forcePolynomial true End EndEngine eor