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. 2022 Feb 8;43(8):568–576. doi: 10.1002/jcc.26814

FIGURE 4.

FIGURE 4

Behavior of raw deviations (in kJ mol−1) of non‐CP and CP‐corrected HF interaction energies with increasing basis set for six complexes of the 3B‐69 dataset. CP‐corrected HF/cc‐pVQZ interaction energies were used as the benchmark