This tool version is unpublished and cannot be run. If you would like to have this version staged, you can put a request through HUB Support.
UVSpec uses the SCF-MO package ORCA to calculate the molecular electronic structure. The excited states are calculated via CI-singles (CIS) with the semiempirical Hamiltonian ZINDO. The numerical data (MO and Absorption spectrum) are displayed graphically.