Gaussian 16 Rev. B.01 Release Notes

Features and changes introduced in Rev. B.01 are indicated by [REV B].New FeaturesFunc. ChangesUsing GPUsParallel Perf.CCSD Perf.EquivalenciesBugs Fixed[wonderplugin_tab_content]New Modeling Capabilities[REV B] Static Raman intensities can be computed for excited...

Gaussian 16 Rev. C.01 Release Notes

Features and changes introduced in Revs. B.01 and C.01 are indicated by [REV B] and [REV C], respectively.New FeaturesFunc. ChangesUsing GPUsParallel Perf.CCSD Perf.EquivalenciesBugs Fixed New Modeling Capabilities [REV C] NBO version 7 is supported. There are new...

Gaussian & GaussView Tutorial Videos

This page contains descriptions and links for all of the tutorial videos we have produced. We’ve organized them into series reflecting the target user’s experience level. All of our videos are on our YouTube channel and our YOUKU channel. The descriptions...

Gaussian Tip: Viewing AO Contributions to Molecular Orbitals

When considering molecular orbitals, it is often useful to examine the contributions of the individual atomic orbitals. Gaussian can provide this information as part of the population analysis. Specifically, orbital-by-orbital population analysis is requested with the...

Gaussian Tip: Defining Solvents for SMD Calculations

Gaussian offers many pre-defined solvents, which are specified as keywords to the SCRF=Solvent option. In order to specify a solvent not included in this set, it is generally only necessary to specify the value of its dielectric constant ε using additional...

GaussView Tip: Customizing the Toolbar

There are several ways to customize the toolbar based upon what will be most convenient for you. One of the most basic ways to customize this apparatus is through changing the icon sizes. You can accomplish this by going to File → Preferences → Icons, which...