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    #1 Multiwfn and wavefunction analysis Generating trESP charges from Q-Chem calculation 2021-07-21 18:24:51

    Msorour
    Replies: 1

    I'm trying to generate trESP charges from Q-Chem output.

    I obtain the *.fchk files using the GUI 2 keyword in Q-chem (5.3), Multiwfn handles this file very well. Yet it collapses in the step where I need to load the output files (*.log).

    Any thoughts on how to go around this issue.

    Thanks,
    M.sorour

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