Coming to grips with N-H...N bonds. 1. Distance relationships and electron density at the bond critical point

Trends exhibited in distance relationships and properties at the bond critical point (BCP) in linear or non-linear N-H...N hydrogen bonds are investigated by optimizing geometry of such bonds in a large number of suitable simple chemical species at the RHF/6-31G** level. Results obtained for several experimental parameters are discussed in detail along with the implications of the findings.