Supporting information for paper:

Why Does [HIrCl(PMe₃)₄]⁺ Adopt The Sterically And Electronically Unfavorable cis Geometry?

by Ofer Blum, Ra`anan Carmielli, Jan M.L. Martin* and David Milstein*
Organometallics 19, 4608-4612 (2000); http://dx.doi.org/10.1021/om0004848.

B3LYP/LANL2DZ frequencies (cm-1) and infrared intensities (km/mol, given in parentheses) (ASCII text)
B3LYP/LANL2DZ geometries for all molecules (XMol format). The fourth column contains partial charges computed according to the Atomic Polar Tensor method [J. Cioslowski, J. Am. Chem. Soc. 1989, 111, 8333.]
View above structures using the CHIME plugin

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