Has anyone done a PES Scan in gaussian using Centroid defined by GIC?

I am trying to do a potential energy scan of a BTA (N,N',N''-trismethyl-benzene-1,3,5-tricarboxamide) dimer. I defined the coordinates of the COM (I choose 6 carbons of benzene ring for this)...

01 May 2023 531 0 View