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$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.
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Additional information on the SCRF model can be
found in the Further Information chapter.
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generated on 7/7/2017