DescriptionOptionsSpecifying Semi-Empirical ParametersAvailabilityRelated KeywordsExamples Description There are a variety of semi-empirical methods available in Gaussian 16. The AM1 and the PM3 methods have been reimplemented [Frisch09, Thiel96, Thiel92] to use the...
DescriptionOptionsAvailabilityRelated Keywords Description This calculation type method requests that the stability of the Hartree-Fock or DFT wavefunction be tested. Gaussian has the ability to test the stability of a single-determinant wavefunction with respect to...
DescriptionOptionsRelated Keywords Description This keyword specifies the uses of molecular symmetry within the calculation. By default, the program attempts to identify the point group of the molecule. If symmetry is in use, the molecule may be rotated to a different...
DescriptionOptionsAvailabilityRelated KeywordsExamples Description This method keyword requests an excited state calculation using the time-dependent Hartree-Fock or DFT method [Bauernschmitt96a, Casida98, Stratmann98, VanCaillie99, VanCaillie00, Furche02,...
DescriptionOptions Description This keyword controls the algorithm used for integral transformation, as well as the types of transformed integrals produced. Options Integral Transformation Algorithm Options The default is the smallest set of integrals the method can...
DescriptionOptionsAvailabilityRelated Keywords Description This keyword requests that the molecular volume be computed, defined as the volume inside a contour of 0.001 electrons/Bohr3 density. The density to be used can be specified with the Density keyword. Since a...
