Hi, I want to use mathemiatica to predict the spectrum of compounds with different conformers. The input consists of 4 values: frequency (of each vibration and every conformer), Intensity, Polarizability and total energy (of the conformer). I now want to plot the frequency vs the Intensity. 1. How do I get mathematica to plot only a vs b if my input is of the format (a, b, c, d)? 2. Next I want to weight each frequency peak using the Boltzmann distribution. So i basically want to get a graph plotting frequency vs the Intensity*exp(-d/kT)/sum of(exp(-d/kT)). 3. After weighing each peak height with the Boltzmann distribution i want to broaden the frequencies using a gaussian profile, because in real spectra, the peaks have a certain width and are bell shaped and do not consist of single points. The gaussian function is a function of c (the Polarizability). So in the end I would like to plot a*Function of c vs b*Function of d. I would greatly appreciate any help/suggestions.