echo 
title "H2O"

start H2O

scratch_dir tmp
permanent_dir .

memory total 250 Mb

geometry units angstrom
 symmetry c1
 O -1.32201 1.59105 0.00000
 H -0.35201 1.59105 0.00000
 H -1.64534 0.69834 -0.19852
end

basis "ao basis" cartesian
    H library "6-311G*"
    O library "6-311G*"
end

charge 0

scf
 rhf
 singlet
 direct
 maxiter 100
end

task scf optimize
