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Spectra of ZnSe molecule with different type of impurity, model of dopant, geometric structure, ligand and solvent have been investigated combining the results of theory and experiment. Contrast of absorption spectra, Circular Dichroism (CD) spectra and optical rotation shows that absorption spectra and CD spectra can be used to judge the type of molecule, the type of impurity, the geometric structure, the type of ligand and solvent. The spectra can also be used to estimate the model of impurity (dopant or forming alloy) in ZnSe molecule. Besides, optical rotation is influenced by the type of impurity, the model of dopant and the type of ligand. For Zn3Se3, Cd3Se3 and Zn3S3 and Zn4Se4 molecules, they do not have optical rotation. The type of ligand has no influence on the optical rotation.