#! /bin/sh
# Compute polarizability and first and second hyperpolarizabilities.
# The string in the 'Keywords' key is passed to the input-parsing routines of MOPAC.
$AMSBIN/ams << eor
Task SinglePoint
System
Atoms
C -0.917657604523966 0.464763072607994 -0.042272407464148
C 0.599132389604762 0.488150975335481 0.042272407810247
H -1.336541780023175 1.363372335927188 0.457720688164060
H -1.308637306012442 -0.446333757344598 0.457720688143968
H -1.234937187765967 0.459870835772842 -1.106331392792046
H 0.990112088660506 1.399247806016238 -0.457720688423546
H 1.018016566995508 -0.410458286745563 -0.457720688426743
H 0.916411973169395 0.493043222972654 1.106331392988198
End
End
Engine MOPAC
Keywords POLAR(E=(1.0))
EndEngine
eor
# The 'polar' results are printed to the mopac.out file, which is located in the ams
# results folder (and not to standard output)
cat ams.results/mopac.out