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(A) Molecular structure of the water-endofullerene H2O @ C60, using a ball-and-stick representation for the C60 cage and space-filling spheres for water; (B) Energy level diagram, showing the principal transitions detected by INS (grey arrows) and IR spectroscopy (dashed arrows). The three-fold rotational degeneracy of the ortho-H2O ground state is lifted. The upper level of the split 101 state is doubly degenerate. Unresolved fine structure is indicated by shading.
