Note

This website is presently under development. The primary website for MOPAC is still http://openmopac.net until the majority of its contents have been migrated here.

DISP

Prints individual post-SCF corrections to the heat of formation, including hydrogen-bond and dispersion energies.

SYNTAX: DISP(cutoff)

Additionally prints a list of individual hydrogen bonds with a binding energy larger than the specified cutoff energy in units of kcal/mol. For example, a reasonable cutoff for detecting standard hydrogen bonds is 1 kcal/mol, specified by DISP(1.0).