MOSymmetries computes the orbital symmetries of the molecular orbitals (MOs).

The procedure returns the MO symmetries as a Vector whose n-th element gives the symmetry of the n-th MO.

The default method is 'HartreeFock' method whose correlation energy is 0.

The result depends upon the chosen method and point-group symmetry.

Because the methods employ Maple remember tables, the procedure only computes the MO symmetries if they have not been previously computed by calling the method directly or indirectly through another property.

$\mathrm{with}\left(\mathrm{QuantumChemistry}\right)\:$

$\mathrm{molecule} ≔ \left[\left[''H''\,0\,0\,0\right]\,\left[''F''\,0\,0\,0.95\right]\right]\;$

$\mathrm{molecule}≔\left[\left[''H''\,0\,0\,0\right]\,\left[''F''\,0\,0\,0.95000000\right]\right]$

$\mathrm{output\_hf} ≔ \mathrm{MOSymmetries}\left(\mathrm{molecule}\, \mathrm{method}\=\'\mathrm{HartreeFock}\'\, \mathrm{symmetry}\=\mathrm{true}\right)\;$

$\mathrm{output\_hf}≔\left[\begin{array}{c}''A1''\\ ''A1''\\ ''A1''\\ ''E1x''\\ ''E1y''\\ ''A1''\end{array}\right]$