# MRSF-TDDFT excited states + gradient, BHHLYP/6-31G* on water.
# Computes 3 MRSF states (S0, S1, S2) and the analytic gradient of S1.
# The triplet ROHF reference MRSF spin-flips from is implied by the model.
mrsf(nstate=3)/bhhlyp/6-31g* grad(S1)
geom="""
O   0.000000000   0.000000000  -0.041061554
H  -0.533194329   0.533194329  -0.614469223
H   0.533194329  -0.533194329  -0.614469223
"""