DescriptionParallel Job Directivesformchk DirectivesExamplesDirective ListEquivalencies [wonderplugin_tab_content] Description Depending on the characteristics of a particular computer system, it is sometimes necessary for performance reasons to override some of the...
OverviewNuclei PropsFragmentsMM TypesPDB ParametersGhost AtomsPeriodic Systems Overview This input section specifies the nuclear positions and the number of electrons of α- and β-spin. There are several ways in which the nuclear configuration can be...
DescriptionPure vs. CartesianDensity Fitting Description Most methods require a basis set be specified; if no basis set keyword is included in the route section, then the STO-3G basis will be used. The exceptions consist of a few methods for which the basis set is...
SyntaxMultistep JobsSection Ordering Syntax Gaussian 16 input consists of a series of lines in an ASCII text file. The basic structure of a Gaussian input file includes several different sections: Link 0 Commands: Locate and name scratch files (not blank line...
