Well it’s official; I now own a shiny, almost new Apple Macbook. Finally I can justify that bumper sticker on my car! Everything works perfectly now, but give it a few months–under my fingers, who knows what could go wrong. Enjoy the Photo Booth image!
Calculating VCD spectra with Gaussian turns out to be a pretty simple matter. Using the option freq=VCD spits out a spectrum of predicted CD frequencies and intensities. Of course, the simpler the input, the more complicated the method, so naturally the way this is done computationally is rather nasty. VCD intensities can be calculated from vibrational and rotational strengths, which are calculated from vibrational transition moments, which are calculated ultimately from wavefunctions specified by an ab initio method. This involves a disgusting, hopelessly complex mess of overly abstract equations, but if you still want to learn more, check out the Chem. Phys. Lett. reference from this page (scroll down to the VCD option.