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Product: Chem3D
Product: Chem3D
Problem:
When I try to minimize a molecule with a linear arrangement of three or more atoms, CS MOPAC terminates with the following message: "Error from MOPAC: Fault in connectivity in data set."
Solution:
Turn off "Rectify" in the build settings and displace one of the atom slightly. Use the XYZ keyword (see MOPAC manual in Manuals folder on cd-rom for details). Then run the Mopac minimization as normal.
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