Hello: I have a colleague looking for the following:
What I need are the ZINDO/S parameters for chlorine. The values for the two-electron, one-center Coulomb integrals would be most handy, as it seems that those are the ones that Hyperchem 5 is lacking. I'm running these calculations on a mixed valence compound in an organic cyclic framework. It has a total of 70 atoms. The molecule has two ruthenium ions in it, each to which two chlorides are ligated. At the moment, I'm using fluorides instead.
Thank you, Greg Rechtsteiner