Question: A. What is the difference in energy between S 0 to S 1 transition energy? Which method is good to determine these states from Molecular

A. What is the difference in energy between S₀ to S₁ transition energy? Which method is good to determine these states from Molecular Mechanics: Amber, Semi-empirical: Default Spin, AMI

Hartree-Fock: Default Spin, 6-31G(d), or DFT: Default Spin, 6-31G(d)?

B: Which method is good to stimulate vibrational frequencies (Molecular Mechanics: Amber, Semi-empirical: Default Spin, AMI, Hartree-Fock: Default Spin, 6-31G(d), or DFT: Default Spin, 6-31G(d) )?

C. Which method is best to calculate bond lengths and angles? (Molecular Mechanics: Amber, Semi-empirical: Default Spin, AMI, Hartree-Fock: Default Spin, 6-31G(d), or DFT: Default Spin, 6-31G(d) )?

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