Energy computes the molecule's total energy, the sum of the electronic energy and the nuclear repulsion energy.

The procedure returns the energy as a float.

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

The result depends upon the chosen molecule, method, and basis set among other options such as charge, spin, and symmetry.

Because the methods employ Maple remember tables, the procedure only computes the energy if it has not been previously computed by calling the method directly or indirectly through another property.

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

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

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

$\mathrm{output\_hf} ≔ \mathrm{Energy}\left(\mathrm{molecule}\right)\;$

$\mathrm{output\_hf}≔\mathrm{-98.57280829}$

$\mathrm{output\_hf} ≔ \mathrm{Energy}\left(\mathrm{molecule}\, \mathrm{method}\=\'\mathrm{MP2}\'\right)\;$

$\mathrm{output\_hf}≔\mathrm{-98.59163534}$