GAMESS

• GAMESS home page.
• Here is where to get wxMacMolPlt for preparing GAMESS input and visualizing output.
• Here is the GAMESS howto for a debathena workstation.

Multiwfn

Click here for an article about Multiwfn, which as its name suggests, is a tool for various kinds of wavefunction analysis.

Here is the home page for Multiwfn; download the program and the manual here.

Athena

MIT's Athena computing environment can be accessed in clusters located around campus or, as described here, remotely via ssh.

• Here is the list of software available on Athena together with instructions for use.
• Here is a beginner's guide to using the linux terminal.
• Here is a mobile-friendly vim editor reference, and here is one in pdf format for printing.

Databases

• The NIST Chemistry WebBook
• The Computational Chemistry Comparison and Benchmark DataBase
• PubChem

NBO

• Here is the NBO 7 home page. Download the manual and examine the slideshow and tutorials.

Crystal14

• Click here for the Crystal17 home page. Crystal14 is a computational tool for electronic structure analysis and properties prediction for solid-state periodic systems.

Utilities

• Here is the Molden home page. Molden is an excellent molecular structure builder and orbital viewer. Learn how to build molecules from scratch using Molden's powerful Z-matrix capability.
• Here is the Jmol home page. Jmol is recommended for visualization and graphics generation for quantities such as natural bond orbitals. It is recommended to download and use the standalone version on your personal computer. Also extremely useful is the Jmol/JSmol interactive scripting documentation.

xyz and input files

• Click here to download some xyz structure files.
• Click here to download some input files for GAMESS, etc.