The Solvation Panel

The Solvation panel allows you to specify that the calculation is to be performed in solution rather than in the gas phase. It is illustrated below.


The Solvation Panel

The Model field allows you to specify a specific solvation model (the default is IEFPCM). Some solvation models may present different/additional fields for their required parameters.

You can specify the solvent by selecting it from the corresponding popup menu. Use the Other selection to select a solvent other than those on the list:


Specifying a Defined Solvent not in the Menu

Only defined solvent keywords should be specified in this way. It is not possible to define additional solvents for the IEFPCM method in this way. See the Gaussian User’s Reference for the list of defined solvents.

You may use the Read additional input box to generate the SCRF=Read option; additional input may be entered via the Gaussian Calculation Setup dialog’s Add. Inp. panel.

See here for a list of equivalent G16 Keywords for Gaussian Calc. Setup selections.