Faculty for Chemistry and Pharmacy - Group of Prof. Zipse

The MOPAC Program Package

MOPAC is a program package written by J. J. P. Stewart for performing quantum mechanical calculations with semiempirical methods such as MNDO, AM1, and PM3. The version presently available in the CIP-Cluster in building F is a public domain version of MOPAC (VERSION 7.00)

  1. running MOPAC calculations
    1. MOPAC input files
    2. running MOPAC jobs interactively
    3. MOPAC output files
    4. Other files produced by MOPAC
  2. geometry optimization
    1. optimization of symmetric systems
    2. optimization of transition states
    3. following reaction pathways
  3. documentation
    1. plain text manual pages for MOPAC 6
    2. manual pages for MOPAC 6 as MS Word or Postscript files can be found here
    3. manual pages for MOPAC 7