#! /bin/sh $ADFBIN/ams << eor Task SinglePoint Properties NormalModes true End System Atoms N 0 0 0 H 0 0 1.02445577e+00 H.2 -8.95690087e-01 4.13994999e-01 -2.75059085e-01 H.3 -5.58123764e-02 -9.84657022e-01 -2.74917481e-01 End AtomMasses H.3 3.01604927 H.2 2.01410178 End End Engine DFTB ResourcesDir DFTB.org/3ob-3-1 Properties VCD true End EndEngine eor