In the present release of the DALTON program, there are certain limitations imposed on the optimizing geometries using the solvent model. Only second-order geometry optimizations are available, and only through the general *WALK module. Furthermore, symmetry cannot be used during the geometry optimization, and care must be exercised in order to turn off automatic symmetry detection in case of Hartree-Fock calculations. Thus the input for an SCF geometry optimization with the solvent model would look like:
**DALTON INPUT .WALK **INTEGRALS *ONEINT .MAX L 10 **WAVE FUNCTIONS .HF **FINAL .VIBANA .SHIELD *END OF DALTON