QChem

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Oliver Stueker edited this page May 5, 2015 · 2 revisions

 * **Homepage:** http://www.q-chem.com/
 * **Contact:** TBC

Datafiles structure

 * [[QChem.inp]]
 * [[QChem.punch]]
 * [[QChem.log]]

Example files

 * ...

Existing parsers

 * some support in [[http://openbabel.org/|OpenBabel]] (C++)