Calculation of force constants with the
Maximum Overlap Method, II.
Molecules with lone pair electrons or empty orbitals
Abstract:
We have shown that the {\it maximum overlap method} can be used,
provided the central atom does not possess any lone pair electrons.
The stretching and stretching-bending force constants of BF$_3$
were computed up to a constant factor with our previously applied method.
The sign of the non-diagonal force constant was obtained
correctly in this case, too.