CCL: Parameters for PCM calculation



 Sent to CCL by: Ramon Crehuet [rcsqtc.:.iiqab.csic.es]
 Dear CCLers,
 
I would like to do a PCM calculation using GAMESS and this program needs some parameters for the solvent. I guess any software needs this parameters. Ideally I should use olive oil as solvent, but ether has a similar dielectric constant.
 Precisely I don't know where to find the following properties:
 * the solvent radius
 * the thermal expansion coefficient
 * the thermal coefficient of the surface tenstion
 * the cavity microscopic coefficient
 * solvent numeral density
 
* distances between the first atoms of each type and the cavity (can this be just a guess or should this be calculated? And how?)
 
I have the feeling that usually only water is used as a solvent and that although the method in GAMESS is general, the solvent parameters for other solvents are not trivial and,thus, other solvents are rarely used. Has anybody experience with that?
 Thanks for your attention,
 Ramon Crehuet