I am using Orca 4.2.1 for the ab initio calculation. Scanning the redundant coordinates I am trying to scan potential surface for different type of bonds, angles and dihedrals. How can I do so for improper dihedrals in Orca? I will use these surface scanning for forcefield potential fitting.

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    $\begingroup$ Doesn't the normal way of defining dihedrals work? I feel like it should work for both dihedral and improper dihedral coordinates. $\endgroup$
    – S R Maiti
    Commented Aug 23, 2022 at 21:13