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Abstract
In this paper calculation spectroscopic and vibrational properties using Semi-empirical method, through the results showed the IR spectra, the value of the lowest amount of total energy for H2Pc molecule was equal to for (C16-H41) and for (C27-H43), for MgPc moleculeis equal to for (C17-H42) and for (C28-H44), and after that equilibrium distance is ( ) for each molecule. The theoretical and experimental results were compared to the energy gap, for H2Pc (5.67 eV), (5.04 eV), for MgPc (5.043 eV), (2.73 eV), respectively.
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