Due to many personal changes I no longer have the time for any development or support for SpecDis. I will keep an eye on the page here and try to answer question but usually it will need some time, sorry.
SpecDis is a handy tool to process the results of quantum-chemical ECD/UV, ORD, or VCD/IR calculations. It supports diverse software packages like ORCA, Gaussian03, Gaussian09, Gaussian16, Turbomole (escf, ricc2 tested only up to version 6.7), NWChem, ADF 2014, DALTON, or Grimme´s sTDA software (simplified TDDFT).
SpecDis can visualize the computational results and has several possibilities to further process the spectra. Some of the features of SpecDis are:
You can freely download this software, but if you use it for publications please cite SpecDis as:
T. Bruhn, A. Schaumlöffel, Y. Hemberger, G. Pescitelli, SpecDis version 1.71, Berlin, Germany, 2017, http:/specdis-software.jimdo.com.
SpecDis: Quantifying the Comparison of Calculated and Experimental Electronic Circular Dichroism Spectra, T. Bruhn, A. Schaumlöffel, Y. Hemberger, G. Bringmann, Chirality 2013, 25, 243–249.
SpecDis is offered as-is, without any warranty!
For a discussion on suited methods for the calculation of ECD by TDDFT have a look at:
Good Computational Practice in the Assignment of Absolute Configurations by TDDFT Calculations of ECD Spectra, G. Pescitelli*, T. Bruhn*, Chirality 2016, 28, 466-474.