Faculty for Chemistry and Pharmacy - Group of Prof. Zipse

Files Generated by MOPAC

In case the MOPAC calculation has been initiated interactively with an input file named input.dat the following files will be generated after successful execution:

This is the principal output file containing a maximum of information. This file can be read with MOLDEN, but only the first structure (input structure) is displayed. In contrast to Gaussian output files, it is not possible to visualize the optimized or any of the intermediate structures in geometry optimizations.

The archive file contains a short summary of calculational results together with the optimized geometry of the system. This file can be read directly with MOLDEN.

The log file contains one line for each step of the geometry optimization and all the information also contained in the archive file. This file can be read directly with MOLDEN.