Figure 6: Predicted Raman spectra for the 5 isomers of B₄₄^0/− based on PBE0 functional with 6–311 + G* basis set.

(a): C_2v B₄₄ (I), (b): C_2v B₄₄⁻ (I), (c): C₁ B₄₄ (II), (d): C₁ B₄₄⁻ (II), (e): C₁ B₄₄ (III), (f): C₁ B₄₄⁻ (III), (g): C₂ B₄₄ (IV), (h): C₂ B₄₄⁻ (IV), (i): C₁ B₄₄ (V), (j): C₁ B₄₄⁻ (V).