title "h2o ssb-d-dft and b3lyp"

echo
start h2o-ssb-d-b3lyp

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
  xc ssb-d
end
task dft hessian

dft
  xc b3lyp
end
task dft hessian
