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    #1 Re: Multiwfn and wavefunction analysis Wavefunction analysis of TDDFT excited states for ORCA users 2019-11-20 13:46:50

    Dear Tian Lu,
    I am trying to do the same analysis as reported in your previous post, using the latest version of ORCA (4.2.0) but when asked to input the name of the output file, i get the following error message:
    ---
    Please input path of Gaussian/ORCA output file or plain text file, electron excitation information will be loaded from this file
    e.g. C:\lovelive\sunshine\yosoro.out
    subpc-C60.1.td.out
    This file is recognized as a Gaussian output file
    Error: This file is not output file of CIS/TDHF/TDDFT/TDA-DFT task, therefore cannot be used for present analysis. Please read Multiwfn manual carefully
    ---

    This is weird, since the output file is a typical TDDFT file obtained from an ORCA single point calculation. If needed i can provide the output file.

    Best regards

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