This is a staging site. Uploads will not persist. Testing only.
mopac
Molecular Orbital PACkage (MOPAC)
Description
MOPAC is a general-purpose semiempirical molecular orbital package for the study of solid state and molecular structures and reactions. The semiempirical Hamiltonians MNDO, AM1, PM3, PM6, RM1, MNDO-d and PM7 are used in the electronic part of the calculation to obtain molecular orbitals, the heat of formation and its derivative with respect to molecular geometry. Using these results MOPAC calculates the vibrational spectra, thermodynamic quantities, isotopic substitution effects and force constants for molecules, radicals, ions, and polymers. For studying chemical reactions, a transition state location routine and two transition state optimizing routines are available. For users to get the most out of the program, they must understand how the program works, how to enter data, how to interpret the results, and what to do when things go wrong.Upload more screenshots
Please help extend the collection of screenshots. Just make a screenshot and upload it here. You don't need to register or anything.
Upload a screenshotHint: upload an image here from your clipboard with Ctrl-V
Homepage
Install this software package
If the package is available for the distribution you are currently using on your computer then install the software by clicking on…
Install mopac