Looking at the experimental spectrum, we can immediately see that there are no free OH stretches and likely no OH bends, suggesting a full proton transfer has taken place from the iodic acid to an ammonia. The vibrational modes that dominate this spectrum are free NH 2 symmetric and asymmetric stretching modes around 3400 cm -1 , NH 2 and NH 3 bending and wagging modes around 1400 cm -1 and 1600 cm -1 , and the IO stretching modes around 600 cm -1 and 800 cm -1 . The fact that the NH 2 symmetric and asymmetric stretching modes are intact at this cluster size suggests that the experimentally present structure is highly symmetric.