$SCRF group (optional) The presence of this group in the input turns on the use of the Kirkwood-Onsager spherical cavity model for the study of solvent effects. The method is implemented for RHF, UHF, ROHF, GVB and MCSCF wavefunctions and gradients, and so can be used with any RUNTYP involving the gradient. The method is not implemented for MP2, CI, any of the semiempirical models, or for analytic hessians. DIELEC = the dielectric constant, 80 is often used for H2O RADIUS = the spherical cavity radius, in Angstroms G = the proportionality constant relating the solute molecule's dipole to the strength of the reaction field. Since G can be calculated from DIELEC and RADIUS, do not give G if they were given. ========================================================== Additional information on the SCRF model can be found in the Further Information chapter. ==========================================================

generated on 7/7/2017