DescriptionOptionsFormatKeywordsSD ECP AvailabilityRelated KeywordsExamples Description This keyword requests that a model potential be substituted for the core electrons. The pseudopotential must be used with a compatible basis set. Gaussian supports a new effective...
DescriptionOptionsRelated Keywords Description This output specification keyword allows the user to “punch”—in more modern parlance, send to a separate output file—useful information at various points in the calculation. The output is...
DescriptionOptionsAvailabilityRelated KeywordsExamples Description This method keyword requests a Quadratic CI calculation [Pople87], including single and double substitutions. Note that this keyword requests only QCISD and does not include the triples correction...
DescriptionAvailabilityRelated KeywordsExamples Description This keyword restarts a previously-failed job. This method is primarily intended for long jobs that involve sufficiently large amounts of intermediate data, so that saving the restart data in the checkpoint...
DescriptionOptionsRelated KeywordsExamples Description This calculation type keyword requests that a potential energy surface (PES) scan be done. A rigid PES scan is performed, which consists of single point energy evaluations over a rectangular grid involving...
