# TDDFT / 6-31G* / B3LYP5 vertical excitation energies of H2O.
# Closed-shell singlet, so [scf] type=rhf and multiplicity=1.
# method=tdhf drives all linear-response models; the non-empty functional
# makes it TDDFT.  Drop `functional` to get plain TDHF instead.
[input]
system=
   8   0.000000000   0.000000000  -0.041061554
   1  -0.533194329   0.533194329  -0.614469223
   1   0.533194329  -0.533194329  -0.614469223
charge=0
runtype=energy
basis=6-31g*
functional=b3lyp5
method=tdhf

[guess]
type=huckel

[scf]
multiplicity=1
type=rhf

[tdhf]
nstate=3