InF3 geometry

Gets Around

4:10:22 AM PST - Wed, Feb 6th 2013
Could you be so kind as to recommend a method which allows to calculate the geometry of the compounds of the elements of the fifth group. In particular I am interested InF3 in the gas phase.

Forum Vet

11:28:18 AM PST - Mon, Feb 25th 2013
DFT should in general be able to give you good geometrical parameters using the popular functionals. You should consider using an ECP for the In atom.