Table 7. Decomposition of the IE (kcal/mol) with the SAPT(DFT) Method for the Dimers Optimized at the B97M-rV/def2-TZVP Level of Theory.

	SAPT/def2-SVP	elec.	exc.	ind.	disp.
0	–16.5	–6.9	22.9	–4.0	–28.6
1	–19.7	–15.3	34.7	–5.4	–33.7
2	–21.1	–16.6	36.1	–5.8	–34.7
3	–37.7	–37.4	57.0	–11.5	–45.9
4	–42.7	–43.0	69.7	–14.3	–55.2

	SAPT/def2-TZVP	elec.	exc.	ind.	disp.
0	–23.9	–7.2	24.0	–4.5	–36.2
1	–29.7	–17.9	39.6	–6.6	–44.8
2	–30.1	–16.6	37.3	–6.7	–44.2