# TDDFT / 6-31G* / B3LYP5 vertical excitation energies of H2O.
# The route names the response model directly: tddft(nstate=3) solves three
# roots.  Drop the functional component (tdhf/6-31g*) to get plain TDHF.
tddft(nstate=3)/b3lyp5/6-31g*
geom="""
O   0.000000000   0.000000000  -0.041061554
H  -0.533194329   0.533194329  -0.614469223
H   0.533194329  -0.533194329  -0.614469223
"""