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    #1 Multiwfn and wavefunction analysis Molecular orbital composition analysis with NAO method and Molpro 2018-05-18 19:33:47

    Laura
    Replies: 1

    Dear Multiwfn forum,

    I am a Molpro user and want to do a Molecular orbital composition analysis with NAO method. What should I do in Molpro to generate the output file that Multiwfn can import?

    Thanks!

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