As others have explained, it is extremely difficult to calculate IR frequencies. Unless you have a background in physical/computational chemistry, this is probably a bad idea to hinge your paper on. Even then, it might be more like a long research project rather than a single paper to do in school in an undergraduate class.
Mostly, the IR frequencies are experimentally determined. After the fact, you could then rationalize things based on hybridization, resonance, induction, ring strain, etc.