The empirical linear scaling dependencies between the literature
(rHo(Xn,TAB)) and the calculated (rHo((Xn)i,CALC)) values of
atomization of 31 reference aromatic and related compounds (T=298.15K),
as well as their standard errors ((SE4)i(4)i, Stand.Dev.), are
determined for the different quantum mechanical (QMi) approaches. These
dependencies are compared and used for the determination of the values
of rHo((Xn)i,CORRE)±3(SE4)i of atomization reactions of considered not
reference aromatic compounds, as well as for the determination of their
values of fHo((Xn)i,CORRE)±3(SE4)i. The values of
fHo((Xn)i,CORRE)MEAN±3SEYE (≥99.4% confidence interval), determined
using the intersections of the 3(SE4)i intervals, are consistent with
all QMi approaches and their literature values. The
M06-2X/6-311++G(d,p), M08HX/6-311++G(d,p) and wB97XD/6-311++G(d,p)
approaches are recommended for the achievement of accuracy (SEYE)≤3.8
kJ/mol of the calculated values of fHo((Xn)i,CORRE)MEAN. The effects of
the number of O-H groups, size and multiplicity of compounds on values
of error, also studied in this work, demonstrate the limitations of
using of several scaled dependencies.