mm/test/h2o.nw

echo
start h2o-dat

memory global 40 mb stack 23 mb heap 5 mb

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

scf
 rohf
 singlet
end

mm test
#load vdw nwchem.parms
vdw load nwchem.parms
coords load nwchem.bq
end

task mm scf gradient