VCD and ECD are two important stereochemical structure confirmation methods. When the compound does not have the Cotton effect in the ultraviolet region, VCD is needed for structural confirmation. Circular dichroism (CD) is often used to confirm the stereochemical structure of compounds. Electronic circular dichroism (ECD) is suitable for compounds with Cotton effect in the ultraviolet region, while VCD is suitable for structural confirmation of compounds without Cotton effect in the ultraviolet region. This article introduces the calculation process of VCD, including: how to generate compound conformations, optimize each conformation and VCD calculation, and perform Boltzmann weighted average of multiple conformations to get the final spectrum.