EET

DescriptionOptionsExamples Description Energy transfer from a photoexcited donor molecule to a nearby ground-state acceptor molecule is a process of fundamental interest in many fields of science, including polymer photophysics, surface photochemistry, photochemical...

chkchk

DescriptionOptions The chkchk utility displays the route and title sections from a checkpoint file, and indicates other information that is present within it. It is useful for determining the contents of random checkpoint files whose purpose has been forgotten and...

References

Abegg74P. W. Abegg and T.-K. Ha, “Ab initio calculation of spin-orbit-coupling constant from Gaussian lobe SCF molecular wavefunctions,” Mol. Phys., 27 (1974) 763-67. Abegg75P. W. Abegg, “Ab initio calculation of spin-orbit-coupling constants for...

Program Development Features

DescriptionKeywordsOptionsThe Standard OrientationNon-Standard RoutesRWF Numbers Description This section documents keywords and options useful for developers who are extending and/or interfacing to Gaussian 16. It also discusses non-standard routes and the...

Utility Programs

Description Description Most utilities are available for both UNIX and Windows versions of Gaussian. However, be sure to consult the release notes accompanying the program for information pertaining to specific operating systems. The GAUSS_MEMDEF environment variable...

List of Gaussian Keywords

# ADMP BD BOMD CacheSize CASSCF CBS Methods CBSExtrapolate CCD and CCSD Charge ChkBasis CID and CISD CIS CNDO Complex Constants Counterpoise CPHF Density DensityFit and NoDensityFit DFT Methods DFTB and DFTBA EET EOMCCSD EPT External ExtraBasis & ExtraDensityBasis...