oxygen molecule (linear molecules, in cartesian coordinates, must be along x)
cartesian angstroms
  o         0.000    0.000    0.000
  o         1.200    0.000    0.000
end
runtype start optimize
potential mixbeckeperdew
grid fine random
multiplicity 3
hessian 2
gconvergence 0.0001
end
a-oxygen (4,4;4,4)
a-oxygen (4,4;4,4)
o-oxygen (7111/411/1*)
o-oxygen (7111/411/1*)
