#!/bin/sh $ADFBIN/ams << eor Task SinglePoint Properties NormalModes True End System Atoms [Bohr] C 0.10101850 0.08267677 0.12682447 C 2.73114989 0.06204296 0.11077263 C 4.06439820 2.33164310 -0.06363346 C 2.75114112 4.60824084 -0.20693134 C 0.10560321 4.61925499 -0.15860918 C -1.28409307 2.34805008 -0.03252711 O -1.20792113 7.03183985 -0.40850190 C -4.13965656 2.14765157 0.02233364 O -5.54836431 4.25852921 -0.97228229 C -1.20247915 8.69980548 1.91027321 C -0.35706426 7.45382767 4.35689712 H -0.93489190 -1.72586813 0.25196453 H 3.75849578 -1.74924086 0.22698872 H 6.15018038 2.32888238 -0.09570448 H 3.79180159 6.41027432 -0.34559245 O -5.25833423 0.30011724 0.82528893 H -4.29660486 5.51580277 -1.46089257 O -1.91824073 10.83838092 1.66234642 H -0.92159688 8.64229425 5.99197100 H 1.73372033 7.23956114 4.42010264 H -1.20899026 5.55080173 4.61014609 End End Engine DFTB ResourcesDir Dresden Repulsion forcePolynomial true End DispersionCorrection Auto EndEngine eor