Yes, I want to see if there is a simple way to define two molecules some fixed distance away and determine the intermolecular energies of these two molecules as a function of this distance. I have been having trouble finding a way to make a Z-matrix consisting of two molecules at some fixed distance/angle away from one another.
As a result, I have been making these dimer systems in Avogadro, dragging the molecules some distance and orientation away from one another, and am using cartesian coordinates to define the dimer system. However, I wanted to ask if there was a way to construct a Z-matrix or alternative way to set this calculation up.
Please let me know if you would like me to clarify my question more!