GAUSSIAN SOFTWARE VS HYPERCHEM MANUAL

Gaussian also sells an interface (GaussView) which should make it as easy to use as Spartan (my memory is that it doesn't come cheap-and WebMO did most of the same things, as well as interface with multiple computational programs, for less $$$). I use Gaussian with WebMO as the 'front end' graphical interface (so I don't need to teach my students UNIX) to get some of the ease of use features of Spartan with the more powerful (and useful for my research) Gaussian program. There are existing commercial packages, such as CAChe/Scigress 10, ChemBio3D 11, GaussView 12, HyperChem 13, CrystalMaker 14, Materials Studio 15, and Spartan 16, which are polished and capable of constructing many. Does this mean that a commercial (paid) software such as Gaussian is needed for carrying out the task Among the listed software in the Extension Menu such as GAMESS. The choice of software capable of building chemical structures in three dimensions is far smaller.

GAUSSIAN SOFTWARE VS HYPERCHEM MANUAL

I guess the question is would you use the extra features? Spartan is easier to use (lots of 'click the box' features) than the command line version of Gaussian, but my sense is that (inorganic) students who go on to do compuations in grad school will probably use Gaussian. In the Avogadro Manual at Extensions Menu - Avogadro, under MENUS > Extension Menu > Running Gaussian, it says Then clicking generate will let you save the file to your computer, so you can ran the file in external software. I'm glad you're looking at including computational chem! I think that Gaussian has a lot more features (methods, functionals, included basis sets) than Spartan, and is much better at running jobs which should be parallelized (big ones!) or jobs with Ln/Ac elements. Science Skills, Practices, and Resources.

Gaussian software vs hyperchem