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 &...

Obsolete Keywords and Deprecated Features

ObsoleteDeprecated Obsolete Features The following table lists obsolete keywords used by previous versions of Gaussian. Obsolete Keyword Replacement Keyword & Option Alter Guess=Alter BD-T BD(T) BeckeHalfandHalf BHandH Camp-King SCF=Camp-King CCSD-T CCSD(T)...

CIS

DescriptionOptionsAvailabilityRelated KeywordsExamples Description The CIS method keyword requests a calculation on excited states using single-excitation CI (CI-Singles) [Foresman92]. This implementation works for both closed-shell and open-shell systems. CIS jobs...