Running Gaussian

PreliminariesRunning under UNIXScratch FilesMemory UseParallel JobsUsing GPUsSystem Defaults & Runtime Overrides Preliminaries System Requirements The Gaussian directories will require about 2-3 GB of disk space for the executables, depending on the computer...

Molecule Specifications

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...

Basis Sets

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...

About Gaussian 16 Input

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...