Closed-shell, two-coordinate metal complexes are frequently linear, although non-linear species are known. Given that the only previous Group 12 bis(silylphosphanido) complex to be structurally characterized (Cd[P(SiPh3)2]2) was linear, DFT calculations were used to probe the reasons for the deviation from linearity for 2-4 in the solid state. Geometry optimizations were performed on 2-4 (PBE0/SARC-ZORA-TZVP for Cd and Hg, PBE0/ZORA-def2-TZVP for all other atoms). The optimized structures were in good agreement with those determined experimentally, and in all cases reproduced the non-linear P-M-P (M = Zn, Cd, Hg) bond angles (Table ). Models of 2-4 were also optimized with a 180° P-M-P bond angle restraint, affording linear models (2', 3', 4'). These linear models were found to be significantly less thermodynamically stable than the bent structures (ΔG = 13.3 kcal mol -1 for Zn; 10.7 kcal mol -1 for Cd; 8.9 kcal mol -1 for Hg). The linear structures show significant distortion about the P atoms, with asymmetry in the M-P-Si angles (Figure , Table ).