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note
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The calculated CO and CH bond lengths and HCH bond angle are 1.197 Å, 1.107 Å, and 121.1° at the coupled-cluster with singles, doubles, and triples (CCSDT) level with the cc-pVTZ basis set; 1.192 Å, 1.103 Å, and 121.4° at the ionization-potential equation-of-motion CCSD (IP-EOM-CCSD) method with the cc-pVTZ basis set; and 1.200 Å, 1.114 Å, and 121.2° at the CCSD(T) (frozen cone) level with the aug-cc-pVTZ basis set. None of these results seems to be an essential improvement over the CCSD(T)/cc-pVTZ result in comparison with the experimental data in Table IV.
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