Supplementary material to silabenzenes paper
K. K. Baldridge, O. Uzan, and J. M. L. Martin,
Organometallics
19
, 1477--1487 (2000);
http://dx.doi.org/10.1021/om9903745
.
B3LYP/cc-pVTZ frequencies and infrared intensities
(ASCII text)
B3LYP/cc-pVTZ
NPA
charges and geometries for all molecules (XMol format)
B3LYP/cc-pVTZ
APT
charges and geometries for all molecules (XMol format)
Gaussian 98
archive entries
total energies
with the cc-pVTZ basis set and various methods
molecular orbital plots (coming soon)
Contact:
comartin@wicc.weizmann.ac.il