Note that since H2S has an intrinsic dipole moment, the alignment of the electric field with the dipole moment significantly affects its properties: applying a +1 VÅ -1 OEEF to H2S leads to an energetic destabilization of 3 kcal/mol. As the dipole of H2S/HS -points towards the metal(s) to which it is coordinated, a positive OLEF, as computed around Fe2, will strongly favor its coordination. In contrast, the negative OLEF around Fe6 disfavors coordination of H2S/HS -at this site.