MGCF College of Chemistry


Q-Chem tips:


Displacing the geometry along a vibrational mode.


Removing imaginary vibrational frequencies.


Extracting IRC paths from output files.


Getting AIM charges.


Q-Chem Version Notes.


IQmol tips:


Plotting the Electrostatic Potential in IQmol.


Viewing NBOs from Q-Chem in IQmol.


University of California Berkeley