A PSI4 Tutorial

• Psithon Tutorial: Using PSI4 as an Executable
  • Basic Input File Structure
  • Sample Input Files
  • Running a Basic Hartree–Fock Calculation
  • Geometry Optimization and Vibrational Frequency Analysis
  • Analysis of Intermolecular Interactions
  • Potential Surface Scans and Counterpoise Correction Made Easy with Psithon
• PsiAPI Tutorial: Using Psi4 as a Python Module
  • I. Basic Input Structure
  • II. Running a Basic Hartree-Fock Calculation
  • III. Geometry Optimization and Vibrational Frequency Analysis
  • IV. Analysis of Intermolecular Interactions
  • V. Potential Surface Scans and Counterpoise Correction Made Easy