. 2022 Oct 4;126(40):7102–7109. doi: 10.1021/acs.jpca.2c03692

Table 2. IE, BSSE-Corrected IE (IE_c), and BSSE Corrections for the Dimer Geometry Optimized at the ωB97M-V/def2-TZVP Level of Theory (kcal/mol).

basis	IE	IE_c	BSSE
def2-SVP	–43.3	–30.7	12.6
def2-TZVP	–33.2	–31.3	1.9
def2-QZVP	–32.1	–31.6	0.5

Table 2. IE, BSSE-Corrected IE (IEc), and BSSE Corrections for the Dimer Geometry Optimized at the ωB97M-V/def2-TZVP Level of Theory (kcal/mol).