The adsorption study of ferrocene on metal surfaces indicates that it preferentially adsorbs as perpendicular configuration through the lower Cp ring at different hollow sites of the surfaces, which is confirmed by topological variations. The stability of the parallel adsorption configuration is significantly lower, and S-Fc cannot stably adsorb in a parallel configuration on Au(111) or Ag(111) surfaces. Hollow adsorption sites are the most stable for all perpendicular adsorption configurations, while the top sites are the most stable adsorption sites in the parallel adsorption configurations. By screening different adsorption sites, the stability order of different adsorption configurations was determined to be: S-Fc (⏊)/Au ≈ E-Fc (⏊)/Au>E-Fc (||)/Au> E-Fc (⏊)/Ag ≈ S-Fc (⏊)/Ag > E-Fc (||)/Ag. The general trend shows that Fc adsorption on Au surfaces is more stable than on Ag surfaces, and vertical configurations are more stable than parallel configurations. Moreover, in the vertical adsorption configuration on the same metal surface, the stability difference between the two Fc conformers is negligible.