echo
memory global 8 mb stack 16 mb heap 10 mb

start h2o_scf

geometry units au
 O 0.00000000 0.00000000 0.24029800 
 H 0.00000000 1.43256600 -0.96119100 
 H 0.00000000 -1.43256600 -0.96119100 
end


basis cartesian print segment
 H library cc-pvdz
 O library cc-pvdz
end

scf
  maxiter 20
  thresh 1.e-10
end

md
 system h2o_scf
 equil 0 data 10 step 0.0005
 print step 1 stat 10
 record scoor 1 prop 1
 test 10
end

task scf dynamics
