Introduction to Gaussian Part 1

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

gaussian-intro.pdf372.85 KB