Example: Frequencies OH-¶
#! /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