For surface structural analysis on monolayer films composed of light elements, we investigated theoretical x-ray photoelectron diffraction (XPED) patterns from single-molecule adsorbing surfaces by using both Cr La (572.8 eV) and Al Ka (1486.6 eV) excitations. Forward-scattering peaks and Kikuchi-like bands were clearly observed in the pattern excited by Al Ka. In contrast, the features of the XPED patterns excited by Cr La were more diffuse. However, the circular patterns excited by Cr La are clearer than those excited by Al Ka. This result suggests that the use of a lower energy x-ray source improves XPED structural analysis on ultrathin films composed of light elements.