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NumForce can handle two types of cosmo frequency calculations. The first
used the
normal relaxed cosmo energy and gradient. It can be performed with a standard
dscf or ridft COSMO input without further settings. This is the right method to
calculate a
Hessian for optimizations. The second type, which uses the approach described
in chapter 14, is implemented for ridft only. The input is the same
as in the first case but Numforce has to be called with the -cosmo
option. If no solvent refractive index
refind=
REAL
is given in the $cosmo section of the control file the program uses the
default (1.3).
TURBOMOLE