Introduction to Gaussian Part 1

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

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gaussian-intro.pdf 372.85 KB