
echo
start h2o_core

memory 1000 mb

geometry units au noautosym noautoz
 O 0.00000000     0.00000000     0.22170860
 H 0.00000000     1.43758081    -0.88575430
 H 0.00000000    -1.43758081    -0.88575430
end

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

dft
  xc beckehandh
  print "final vector analysis"
end
task dft

tddft
  ecut -10
  nroots 5
  notriplet
  thresh 1d-03
end
task tddft

tddft
  ewin -20.0 -10.0
  cis
  nroots 5
  notriplet
  thresh 1d-03
end 
task tddft 

dft
  odft
  mult 1
  xc beckehandh
  print "final vector analysis"
end
task dft

tddft
  alpha 1 1
  beta 1 1 
  cis
  nroots 10
  notriplet
  thresh 1d-03
end 
task tddft 
