#
# peroxide, finding the eclipsed transition state by following the
# normal mode most closely related to the h-o-o-h dihedral
#
# maximum step size during the geometry optimization reduced from 0.3 to 0.1
#
zmatrix angstroms
  o
  o     1 1.400
  h     1 1.000    2 109.5
  h     2 1.000    1 109.5    3   0.0
end
runtype optimize
mode d 3 1 2 4
maxstep 0.100
end
aux1a
tzp/dzp
