title "h2o ssb-d-dft"

echo
start h2o-ssb-d

geometry units au
 O 0       0        0
 H 0       1.430   -1.107
 H 0      -1.430   -1.107
end

basis
  O library 6-31g*
  H library 6-31g*
end

dft
  iterations 99
  CONVERGENCE density 1.0e-6
  CONVERGENCE gradient 1.0e-6
  convergence damp 90 nolevelshifting
  convergence diison 0.01
  TOLERANCES tight
  grid fine
  xc ssb-d
end

task dft energy
