CP-MCSCF NACME in normal mode coordinates

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clair...@gmail.com

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Jan 25, 2023, 2:22:39 AM1/25/23
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Hi,
The CP-MCSCF NACME output is in cartesian coordinates per atom.  I would like to find NAC along a normal mode for a large C1 molecule.  I have various displacements along this mode and can take NACME at each step.  But what is the proper way to convert NACME's atomic cartesian to one reduced mass along the normal mode?

Thank you!
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