Post date: Jun 17, 2013 2:56:18 PM
The current documentation and a vcd calculation for 3-chloro-1-butyne b3lyp/6-31G* is posted as vcd.out. The experimental data is contained in the excel file overlap-plot-blank, which also contains a blank sheet for pasting in overlap plots. The documentation contains sections that are no longer necessary such as section IX "Optimizing experimental and calculated spectra for comparison ". Such sections are left in the documentation because they still have usage in specific circumstances.