Rhenium heptafluoride vibrations

The structure and normal modes of ReF7 shown here are read directly from Gaussian03 output www.gaussian.com. Frequencies are calculated with a first-principles (B3LYP) model using a Stuttgart effective core potential for Re and an augmented double-zeta basis set (aug-cc-pVDZ) for F. Measured Raman-active frequencies are from Selig & Gasner (1968) J. inorg. nucl. Chem. 30:658-659. Theoretical frequencies are also shown in parentheses, followed by the symmetry species of each vibration.
Reference: Schauble (2007, unpub.)
Jmol script created Mar. 18, 2007: