#!/bin/sh
$AMSBIN/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
Model SCC-DFTB
ResourcesDir Dresden
Repulsion
forcePolynomial true
End
DispersionCorrection Auto
EndEngine
eor