I have a molecular system with two cations. I have tried ONIOM with the following line in the route section. However this does not generate any surface (HOMO) in gaussview when opening the checkpoint file. Thanks for your suggestions in advance ******************************************************************************* #p oniom(uhf/sto-3g*:uhf/sto-3g*) nosymm charge 1 2 1 2 1 2 ; two molecules with unity charge on each ; Two Cation structures with layers H & L point charges ******************************************************************************* Thanks a lot. AR |