The aoforce code has presently a number of limitations one should be aware of:
- It can only handle basis sets up to at most g functions.
- Point groups with reducible E-representations (such as Cn and Cnh with n ≥ 3, Sn
with n ≥ 5, or T and Td)
- Frozen internal or cartesian coordinates are not recognized. aoforce will allways
evaluate the full hessian matrix.