Table 4. Absolute and Relative Values of Single Point Energy Calculated at the CCSD(T)/6-311++G(d,p) Level on Structures Optimized at B3LYP/6-311++G(d,p) and CAM-B3LYP/6-311++G(d,p) Levels of Theory.

structure	E(CCSD(T)//B3LYP) (Hartree)	E(CCSD(T)//CAM-B3LYP) (Hartree)	ΔE (kcal/mol)
1planar	–524.2757257	–524.2741018	1.02
5a	–492.2792871	–492.2781307	0.73
5f	–642.4713257	–642.4700108	0.83
5hplanar	–750.3384139	–750.3360975	1.45