A somewhat strange request. I have come across this paper: http://jcp.aip.org/resource/1/jcpsa6/v98/i7/p5648_s1 [Broken] It lists hybrid DFT results for dissociation calculations. I am looking for DFT calculations that are not as phenomenological, but can't seem to find any in the literature. Are there DFT calculations out there with less empirical functionals/less fitting to experiment? Or should I just fire up my own DFT calculations with, say Turbomole to acquire "dumb" DFT results?