Constructing Z-Matrices

DescriptionDummy AtomsModel Builder Description This section presents a brief overview of traditional Z-matrix descriptions of molecular systems. There are restrictions on the size of a Z-matrix: the maximum number of variables and the maximum number of atoms within a...

Link 0 Commands

DescriptionParallel Job DirectivesEquivalenciesExamples Description This section lists all Link 0 commands, which are optional and precede the route section. Link 0 commands may be up to 500 characters in length. %Mem=N Sets the amount of dynamic memory used to N...

Changes Between Gaussian 16 and Gaussian 09

Description Description This section briefly summarizes the major differences between Gaussian 16 and Gaussian 09. See earlier sections of the manual for full details on these features (including references). A retrospective summary of the features of Gaussian...

mm Utility

DescriptionOptions Description Standalone molecular mechanics program. This program reads a Gaussian input file from standard input and writes a new input file with the (possibly optimized) structure to standard output. The desired force field must be selected via the...

unfchk

DescriptionOptions Description This utility is the opposite number to formchk. It converts a formatted checkpoint file to a binary checkpoint file, in a format appropriate to the local computer system: $ unfchk Formatted Checkpoint file? water Read formatted file...

testrt

DescriptionOptionsExamples Description testrt is a utility which takes a standard Gaussian route as input and produces the equivalent non-standard route. The route is usually specified on the command line (enclosed in quotation marks): $ testrt "#...