Submitted by mhallock on Thu, 03/18/2010 - 13:54
This is part one of a two part series of using Gaussian at SCS. Topics that are covered include:
- Generating an input file using Avogadro
- Running a single-point Energy calculation
- Calculation molecular orbitals
- Visualizing orbitals
Update: to submit Gaussian jobs on triton please use new script submit-g09
| Attachment | Size |
|---|---|
| gaussian-intro.pdf | 372.85 KB |