echo
start h2o

geometry units angstrom
O      0.00000000     0.00000000     0.11726921
H      0.75698224     0.00000000    -0.46907685
H     -0.75698224     0.00000000    -0.46907685
end

basis spherical
  * library aug-cc-pvdz
end

dft
  xc hfexch  
end
task dft energy

dft
  xc b3lyp
  noscf  
end
task dft energy
