Description Description The MaxDisk keyword specifies the amount of disk storage available for scratch data, in 8-byte words (default). This value may also be followed by KB, MB, GB, TB, KW, MW, GW or TW (without intervening spaces) to specify units of kilo-, mega-,...
DescriptionAtom Types & ChargesOptionsMM Potential FunctionsSpecifying Force FieldsForce Field Terms Description There are three Molecular Mechanics methods available in Gaussian. They were implemented for use in ONIOM calculations, but they are also available as...
DescriptionOptionsAvailabilityRelated KeywordsExamples Description The MPn method keywords request a Hartree-Fock calculation (by default, RHF for singlets, UHF for higher multiplicities) followed by a Møller-Plesset correlation energy correction [Moller34]:...
DescriptionOptionsAvailabilityExamples Description This properties keyword predicts NMR shielding tensors and magnetic susceptibilities using the Hartree-Fock method, all DFT methods and the MP2 method [Gauss92, Gauss93, Gauss95, Cheeseman96]. NMR shielding tensors...
DescriptionRequired InputPer-layer Charge and Spin MultiplicityOptionsAvailabilityRelated KeywordsExamples Description This keyword requests a two- or three-layer ONIOM [Dapprich99]. See [Vreven06, Vreven06b, Clemente10, Vreven08] for recent developments, and...
DescriptionSet Opt. GoalOptionsAvailabilityRelated KeywordsExamplesGIC Info Description This keyword requests that a geometry optimization be performed. The geometry will be adjusted until a stationary point on the potential surface is found. Analytic gradients will...
