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

TABLE 3.

CP corrected HF interaction energies (in kJ mol−1) of the 2 × 2 × 2 supercells of benzene calculated with cc‐pVDZ and cc‐pVTZ and a cut‐off radius of 10 Å for CP correction. The energies were calculated per molecule

Basis set Form I Form II
cc‐pVDZ 5.1 14.1
cc‐pVTZ 5.3 14.0