“…However, the standard valence basis sets A and C of Sb, which employ the ECP28MDF ECP described above, only have polarized-valence-X-zeta ͑X = T or 5͒ quality functions accounting for the 5s 2 5p 3 electrons of Sb, with a single contracted function describing each of the 4s, 4p, and 4d outer core subshells of Sb. In order to account for the 4s 2 4p 6 and 4d 10 outer core electrons of Sb adequately in correlation calculations, basis sets D and E were designed in the present study based on basis set C. Tight uncontracted 3d ͑expo-nents: 5.6, 2.8, 1.4͒, 2f ͑2.4, 1.3͒, 2g ͑2.9, 1.3͒, and 2h ͑2.9, 1.3͒ functions, and 3s ͑8.0, 4.0, 2.0͒, 3p ͑6.8, 3.4, 1.7͒, 3d ͑6.0, 3.0, 1.5͒, 3f ͑5.6, 3.0, 1.4͒ 2g ͑2.9, 1.3͒, and 2h ͑2.9, 1.3͒ functions were augmented to basis set C to give basis sets D and E in order to account for the Sb outer core 4d 10 and 4s 2 4p 6 4d 10 electrons, respectively. The frozen core and correlated electrons of Sb associated with different basis sets used in the correlation calculations carried out in the present study are summarized in Table I, together with the total number of contracted basis functions ͑Nb͒ for SbO 2 .…”