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#1 Re: Multiwfn and wavefunction analysis » Problem reading Orca output for plotting NMR spectrum » 2026-02-24 16:10:16

Hey Vilsenhet, don't know if this will still be helpful but here'swhat i tried, when loading an .out file (or any other result file for that matter) used for calculations other than NMR specifically the program crashes immediatly, i was trying to open an output file for a IR calculation, even if you used a output file to create a new input for a NMR calculation, check to see if your resulting output file has any errors in it or if something seems weird or out of place, but using an output file from a NMR only calculation worked great for me.

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