Dear everyone,

I am a beginner in metal cluster and I need your help to solve this problem.

I am running a job that

#N PBE1PBE/gen opt=(calcfc,noeigentest) optcyc=500 scfcyc=500 freq scf=xqc

Ag2

0 1

Ag -1.46276607 0.05319149 0.00000000

Ag 1.12723393 0.05319149 0.00000000

(def2-TZVP basis set of Ag)

My result, bond length Ag-Ag = 1.663Å. This value is much shorter than experimental one 2.53Å.

Why? Could you help me?

Thanks,