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MethodGaussianTurbomoleMolproGAMESSNWChemORCATerachemADF
RHFfreqfreqRIgradRIfreqfreqfreqgrad 
UHFfreqfreqRIgradRIgradfreqfreqgrad 
ROHFfreqfreqRIgradRIfreqgradfreqgrad 
DFTfreqfreqRIgradRIgradfreqfreqgradfreq

Available DFT functionals

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FunctionalGaussianTurbomoleMolproGAMESSNWChemORCATerachemADF
APFDx       
B97Dxx x    
B97D3x       
wB97xDx       
DFT-D2, DFT-D3 correcionxx xx   

Long range corrected functionals

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