. 2022 Jul 20;18(8):4733–4744. doi: 10.1021/acs.jctc.2c00261

Table 2. Wall Times Used to Converge the Hartree–Fock SCF Equations (t_SCF) and Localize Orbitals (Denoted t_ER,o for Occupied and t_ER,v for Virtual Orbitals) for Arachidic Acid.

basis set	N_AO	t_SCF	t_ER,o	t_ER,v
cc-pVDZ	508	26.77 s	59.11 s	8.01 min
aug-cc-pVDZ	866	3.06 min	1.18 min	59.14 min
cc-pVTZ	1220	3.05 min	1.13 min	5.19 h
aug-cc-pVTZ	1932	29.78 min	57.68 s	43.05 h

Table 2. Wall Times Used to Converge the Hartree–Fock SCF Equations (tSCF) and Localize Orbitals (Denoted tER,o for Occupied and tER,v for Virtual Orbitals) for Arachidic Acid.