CCL:G: G03-SCRF calculations with hexane

["Jose P. Ceron" <jpceron(_)um.es>]

 Sent to CCL by: "Jose P. Ceron" [jpceron(_)um.es]
 Dear all,
 I need to include solvent effects in TDDFT calculations to compare my results
 with experimental data. The problem is that the UV-Vis spectra are made in
 hexane and this solvent is not define in Gaussian.
 I know EPS, RSOLV, DENSITY and EPSINF keyword can be used with PCM model,
 but is it enough to specify EPS(hexane)=2.0?
 Any suggestion will be welcome!!
 Thanks in advanced,
 Jose
 -----------------------
 Jose P. Ceron
 University of Murcia