Table 5.6 gives the results of a self-consistent field (SCF) quantum chemical calculation for H20 using an orbital basis set of the atomic orbitals of O and the LGOs of an H—H fragment. The axis set is as defined in Fig. 5.15.
(a) Use (he data to construct pictorial representations of the MOs of H20 and confirm that Fig. 5.15 is consistent with the results of the calculation,
(b) How does MO theory account for the presence of lone pairs in H20?
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