Hello Everyone
I am trying to perform a solvent phase calculation using n-octanol in Gaussian CPCM model. In Gaussian website I find the following information:
SPECIFYING THE SOLVENT
The solvent for the PCM calculation may be specified using the normal Solvent option to the SCRF keyword. The solvent name keyword or ID number may also be placed within the PCM input section. Alternatively, the EPS and RSOLV keywords may be used in the PCM input section to define a solvent explicitly:
EPS=e Dielectric constant of the solvent.
RSOLV=radius Solvent radius in Angstroms.
DENSITY=val Density of the solvent expressed as number of particles per unit volume, in Å-3.
EPSINF=val Optional value for the dielectric constant at infinite frequency.
Note that if any of these parameters are specified, the others default to the values for water, and so you will probably want to set all of them appropriately.
For n-octanol, only EPS and EPSINF values I found. After putting those information in the input section, the job is terminating showing a syntax error in input line. My question is am I doing mistakes in the root section?
I am not able find the error in the input file. Kindly find attached the input file for your reference. I will be grateful for your suggestion to solve the issue.
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