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Molecular ab initio programs use basis real functions, in the case of
linear molecules these computed MOs are not eigenfunctions of the 
operator and therefore the cylindrical symmetry can be lost. This is
particularly the case for open shell systems in a Π
state. sym_wfn
as been wriiten to correct this drawback for 2Π
states calculated with
ROHF. In order to get symmetrized figures run sym_wfn before performing
the grid09 calculation. The program prompts the user to get the input wfn
file name and the name of the symmetrized sym_wfn file.
Figure 1:
NO (2Π): left unsymmetrized, right symmetrized
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