Author of the code: James J.P. Stewart Homepage: The official website of MOPAC® is maintained by Stewart Computational Chemistry. http://openmopac. net/

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This plug-in provides a graphical user interface (GUI) for setting up and running simulations using the semiempirical quantum chemistry code MOPAC.

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MOPAC will optimize structure by a XYZ coordinate system, if XYZ is specified by a keyword. It seems to be easy to arrive at the transition state with righter searching MOPAC97 for a transition state which specified XYZ. When it calculates by specifying this keyword XYZ, although XYZ

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mopac test using test.mop as the input file and giving the output file test.out. Input file Keywords Title1 Title2 Coordinates (one per atom) Blank line Extra lines

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