With harmonic frequency calculations, O-H stretches (or similar) can often be to the blue of 4000 cm-1. The default range in the IQmol spectrum viewer does not show these transitions. As a feature request, it would be wonderful if the spectrum auto-adjusted to encompass all transitions in the molecule. Alternatively, a default range of 0-4800ish cm-1 would likely suffice for nearly every molecule. I realize that this range is stupidly high for real spectra, but for harmonic calculations (often with less-than-perfect quantum methods), it might be needed.
With harmonic frequency calculations, O-H stretches (or similar) can often be to the blue of 4000 cm-1. The default range in the IQmol spectrum viewer does not show these transitions. As a feature request, it would be wonderful if the spectrum auto-adjusted to encompass all transitions in the molecule. Alternatively, a default range of 0-4800ish cm-1 would likely suffice for nearly every molecule. I realize that this range is stupidly high for real spectra, but for harmonic calculations (often with less-than-perfect quantum methods), it might be needed.