The embedded FTIR of acetone was recorded as a thin film using a PE1605 FTIR. The xyz files were calculated from output by Gaussian90 run on a Convex 3400 using a program (Vibread.exe) by Prof P. Lahti. A ZIP file containing all the calculated XYZ files is available.
URL: http://wwwchem.uwimona.edu.jm:1104/spectra/iranim/acetone/chimeir1.html