for QCforever is shown in List 1. The result can be obtained as shown in List 3, which is the dictionary style of python code with the keys in Table . In the "uv" key, four lists are included. The first list indicates the excitation energy to each excited state in nm, the second is the intensity (oscillator strength) to them, the third indicates the length of circular dichroism (CD), and the fourth is the intensity of CD spectrum.