Basis set superposition errors for Houk-List transition state, R=Ph
Method Geometry E(cp) (kcal/mol) ΔE(cp) (kcal/mol)
B3LYP/6-31G(d) anti 7.34 1.13
syn 8.47
B3LYP/6-311G(d,p) anti 4.67 0.78
syn 5.45
B3LYP/TZVP anti 1.51 0.19
syn 1.70
B3LYP/QZVP anti 0.25 0.04
syn 0.21
CBS limit...0.00.0

E cp = E CP CP-B CP-B - E CP CP-B CP + E B CP-B CP-B - E B CP-B B