#!/bin/sh $AMSBIN/ams << EOF Task GeometryOptimization Properties NormalModes True End System Atoms C 2.30706389 1.98586694 1.83102349 C 2.30706389 0.74961050 2.59507199 C 1.17574975 2.80781478 1.83102349 C 1.17574975 0.38202425 3.33024448 C 0.72665331 -1.00015247 3.33024448 C 3.03371719 -0.25054198 1.83102349 C 2.60159365 -1.58048151 1.83102349 C 1.42584390 -1.96250576 2.59507199 C 1.42584390 3.19876221 -0.59476704 C 2.60159365 2.34453001 -0.59476704 C 0.72665331 3.42594300 0.59476704 C 3.03371719 1.74976297 0.59476704 C 3.48281364 0.36758625 0.59476704 C 2.60159365 1.58048151 -1.83102349 C 3.03371719 0.25054198 -1.83102349 C 3.48281364 -0.36758625 -0.59476704 C -1.42584390 3.19876221 -0.59476704 C -0.69919059 2.96265823 -1.83102349 C -0.72665331 3.42594300 0.59476704 C 0.69919059 2.96265823 -1.83102349 C 1.42584390 1.96250576 -2.59507199 C -1.42584390 1.96250576 -2.59507199 C -0.72665331 1.00015247 -3.33024448 C 0.72665331 1.00015247 -3.33024448 C -2.30706389 1.98586694 1.83102349 C -3.03371719 1.74976297 0.59476704 C -1.17574975 2.80781478 1.83102349 C -2.60159365 2.34453001 -0.59476704 C -2.60159365 1.58048151 -1.83102349 C -3.48281364 0.36758625 0.59476704 C -3.48281364 -0.36758625 -0.59476704 C -3.03371719 0.25054198 -1.83102349 C -0.00000000 1.23625645 3.33024448 C -1.17574975 0.38202425 3.33024448 C -0.00000000 2.42579053 2.59507199 C -2.30706389 0.74961050 2.59507199 C -3.03371719 -0.25054198 1.83102349 C -0.72665331 -1.00015247 3.33024448 C -1.42584390 -1.96250576 2.59507199 C -2.60159365 -1.58048151 1.83102349 C -2.30706389 -1.98586694 -1.83102349 C -3.03371719 -1.74976297 -0.59476704 C -2.60159365 -2.34453001 0.59476704 C -1.17574975 -2.80781478 -1.83102349 C -0.00000000 -1.23625645 -3.33024448 C -1.17574975 -0.38202425 -3.33024448 C -2.30706389 -0.74961050 -2.59507199 C -0.00000000 -2.42579053 -2.59507199 C 2.30706389 -1.98586694 -1.83102349 C 2.30706389 -0.74961050 -2.59507199 C 1.17574975 -0.38202425 -3.33024448 C 1.17574975 -2.80781478 -1.83102349 C 1.42584390 -3.19876221 0.59476704 C 2.60159365 -2.34453001 0.59476704 C 3.03371719 -1.74976297 -0.59476704 C 0.72665331 -3.42594300 -0.59476704 C -1.42584390 -3.19876221 0.59476704 C -0.69919059 -2.96265823 1.83102349 C 0.69919059 -2.96265823 1.83102349 C -0.72665331 -3.42594300 -0.59476704 End End Engine DFTB Model DFTB3 ResourcesDir DFTB.org/3ob-3-1 DispersionCorrection D3-BJ EndEngine EOF