Limitations

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 C_n and C_nh with n ≥ 3, S_n with n ≥ 5, or T and T_d)
• Frozen internal or cartesian coordinates are not recognized. aoforce will allways evaluate the full hessian matrix.