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Note, in Gaussian03 C.02, the keyword used to retrieve the APNO basis sets appears similar to the keywords for Pople double- and triple-zeta basis sets; however, APNO basis sets are not Pople basis sets. The 6-311G(d′,p′) keyword, defined in this current article as CBS1, calls for a (14s9p4d,6s3p1d)/[6s6p3d,4s2p1d] APNO basis set. The 6-311G(d′) keyword, defined in this current article as CBS2, calls for an APNO basis set that adds two f polarization functions to first row elements, (14s9p4d2f,6s3p1d)/[6s6p3d2f,4s2p1d].
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Note, in Gaussian03 C.02, the keyword used to retrieve the APNO basis sets appears similar to the keywords for Pople double- and triple-zeta basis sets; however, APNO basis sets are not Pople basis sets. The 6-311G(d′,p′) keyword, defined in this current article as CBS1, calls for a (14s9p4d,6s3p1d)/[6s6p3d,4s2p1d] APNO basis set. The 6-311G(d′) keyword, defined in this current article as CBS2, calls for an APNO basis set that adds two f polarization functions to first row elements, (14s9p4d2f,6s3p1d)/[6s6p3d2f,4s2p1d].
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