Enhanced Calculation Summary

GaussView 6 provides an extensive summary of calculation results:

  • The Overview tab displays the key information from the calculation. New items inlcude the solvation model and the polarizability.
  • The Thermo tab is active for frequency jobs, and it lists the various thermochemical quantities predicted by the calculation.
  • The Opt tab is active for optimization jobs, and it lists the progress towards convergence for the current optimization step, including the maximum and RMS force and displacement. The predicted energy change is also included.

Calc Summ