For teaching purposes, (to show what a PES is, what cuts through the PES look like and why a single cut does not necessarily get you to the minimum energy configuration, etc.), I would like to do a 2D scan of water, keeping the two OH bonds the same, scanning over the HOH angle and the OH bond length (with OH1 = OH2).
As it is for teaching, it would be nice if there were a possibility to do this via a 2D scan, as this would provide me with all results all at once. However, I did not find a possibility to either restrict the second OH bond to the value of the first, or to scan through a variable using a Z-matrix representation with this variable defining the OH bond length. Is there a possibility to do such a 2D scan while restricting the two OH bonds to be the same?