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Metal complexes exhibit significant physical properties such as electrical conductivity, magnetism and optical properties. They can be controlled by changing the ligand field splitting of the d-orbital of the central metal ion. We have investigated the reversible spin crossover phenomenon by changing the ligand field splitting in six-coordinated metal complexes ML6. In this study, we focused on the change of the spin states by JahnTeller distortion in the case of an octahedral hexa-coordinated metal complexes ML6, involving 2 types of different ligand molecules. In addition, we have used DV-Xα and DVME methods in order to calculate the electronic state. In order to reproduce the effect of the JahnTeller distortion in the calculation, a uniaxial anisotropic distortion has been applied into the octahedral hexa-coordinate metal complex. The purpose of this research is to study the mechanism and phenomenon of the spin state changing by studying the spin crossover phenomenon.