#!/bin/sh
# Example for a spin-flip excited state geometry optimization with a triplet
# reference, and a frequency calculation afterwards.
# Needed for such excited state optimizations are the key EXCITATIONS (to
# calculate excitation energies), and the key EXCITEDGO (to select for which
# excitation a geometry optimization should be performed).
# In this case spin-flip excitations are calculated.
AMS_JOBNAME=CH2 $AMSBIN/ams <