Output

DescriptionOptionsRelated Keywords Description The Output keyword is most often used to create input file for various external programs. It can also write Fortran unformatted files containing calculation results. Its options control the contents of the created file....

PBC

DescriptionOptionsAvailabilityExamples Description This keyword allows you to specify options for Periodic Boundary Conditions jobs. Note PBC is turned on simply by including translation vectors in the input structure, and this keyword is used only to control how PBC...

BD

DescriptionOptionsRelated KeywordsAvailabilityExamples Description This method keyword requests a Brueckner Doubles calculation [Dykstra77, Handy89, Kobayashi91]. BD gradients are available [Kobayashi91]. Options T Requests a Brueckner Doubles calculation with a...

Polar

DescriptionOptionsAvailabilityRelated KeywordsExamples Description This method keyword requests that the dipole electric field polarizabilities (and hyperpolarizabilities, if possible) be computed. No geometry change or derivatives are implied, but this keyword may be...

Population

DescriptionOptionsRelated KeywordsExamples Description This properties keyword controls printing of molecular orbitals and several types of population analysis and atomic charge assignments. The default is to print just the total atomic charges and orbital energies,...

Prop

DescriptionOptionsAvailabilityRelated Keywords Description This properties keyword tells Gaussian to compute electrostatic properties [Johnson93, Rega96, Barone96, Barone96a]. By default, the potential, electric field, and electric field gradient at each nucleus are...