Hello,

I have carried out a frequency calculation with aoforce of a Argon dimer with BP86 and BP86-D at the same geometry. For both calculations with aoforce I obtained the same frequencies. This is in opposite to the numforce calculations, where I find differences between both calculations, see below:

BP86 (aoforce): 42.05

BP86-D (aoforce): 42.05

BP86 (numforce): 31.46

BP86-D (numforce): 25.93

Does aoforce not support frequency calculations with DFT-D? However, I find no information in the output of numforce if numforce has employed the DFT-D approach. Can I trust the results of numforce?

Best regards, Stefan