Crystal structure Calibrants: Planar Annulenes

Double Hybrid Methods: Planar Annulenes

Annulene	RI-B2GP-B2PLYP/ TZVPP-TZVPP/C^a	B3LYP/TZVPP Δ_r (meso)	Digital Repository
[18]	0.000	0.000	10042/to-2093
[22]	0.000	0.000	10042/to-2091
[26]	0.027	0.020	-
[30]	0.064^b	0.038	10042/to-2102

[14]^c	0.012	0.010	10042/to-1951

^a ~ 6-311G(2df,2pd) ^b TZVP-TZVP/C basis ^c D₂ symmetry.