IOFR — Specify the index of refraction of the desired solvent. (Equivalent to REFRACT)
n.n keyword specifies the index of refraction (for
the sodium D line at 20 degrees centigrade) of the desired solvent for an SM5-organic
calculation. The file
contains values of IOFR for 178 common organic solvents. A convenient reference for
index of refraction values, including many values not contained in the
solvent.data file, is any recent edition of the “CRC Handbook of
Chemistry and Physics”, published by CRC Press.
For SM5xx models with SOLVNT=GENORG, IOFR (or REFRACT) is required and specifies the solvents index of index of refraction. For COSMO, IOFR (or REFRACT) is optional and overrides the default index of refraction of water (1.3328).
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