echo
start vscf_h2o

geometry units au
  O     0.00000000     0.00000000     0.20578928
  H    -1.42497864     0.00000000    -0.87779464
  H     1.42497864     0.00000000    -0.87779464
end

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

vscf
coupling diagonal
end

task scf vscf

vscf
coupling pair
end

task scf vscf

