You need to start by doing a full vibrational analysis, so you know what peaks to expect from the complex in the spectra. Then the spectra either confirm or refute the suggested structure.SO GREAT
If you're not familiar with this, get a book called "group theory for chemists" or something like that, there are loads of them.
I found this page too, I don't have time to look for a better one, read section 2.3 http://www.hull.ac.uk/php/chsajb/bonding/ho_2.html