Computational Project Topic Switch. Aw.

Due to a lack of computational power available to undergrads, I switched my project topic to something much smaller in scope (if not necessarily a smaller molecule). Also not nearly as pretty. Aww...

Topic: UV-vis spectrum of ferroin and ferriin. A pretty well-studied topic, I would imagine, seeing as how many undergrads will encounter ferroin in an analytical lab at some point. Calculations still take many hours (I *still* don't have an optimized geometry yet), but at least there are fewer molecules to compute.

Incidentally: do NOT perform IR calculations on a methanol molecule and animate the vibrations. The resulting graphics (especially the higher-frequency stretches) are really, um. Graphic. In a not-safe-for-work sort of way.