I use Gaussian 09 and turbomole to do a same calculation (B3-LYP/6-311G) for a same molecule.But the resulet is not same, Turbomole shows that SCF total energy is -772.16125945927, while gaussian shows that: SCF Done E(UB3LYP) = -772.402241773, no UHF energy shows. I use UB3-LYP in Gaussian, while turbomole cannot, only have B3LYP method with Multiplicity: Singlet(UHF) in molecular attributes.When I use UHF method in Gaussian, I get E(UHF), but energy is not same as both of these two. What cause the different result?