# Example for an excited triplet state geometry optimization with a constraint
# 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).
# Note that one has to select the state with the irrep name A'', and not with AAA.
C 0.0 0.0 0.0
O 1.2 0.0 0.0
H -0.5 0.5 0.9
H -0.5 0.4 -0.9
Distance 1 2 1.2
state A 1