The Cartesian derivatives which are calculated in DCART for
variationally optimized systems are printed if the keyword DCART
is present. The derivatives are in units of kcals/Ångstrom, and
the coordinates are displacements in x, y, and z.
Only the derivatives of the closed-shell SCF wavefunction are printed, that
is, any post-hoc corrections such as the effects of pressure, dispersion, etc.
are not included at this point. For the equivalent open-shell RHF gradients, see