Table 4:

Regression constants −h_i in Eq. (1) for the tested computational schemes

	$-h_i/\text{kJ}\cdot {\text{mol}}^{\text{-1}}$
scheme	C	H	O	N
small	99 880.13	1516.17	197071.22	143562.88
medium	99 904.57	1525.81	197129.56	143 605.50
large	99 904.58	1525.78	197129.66	143605.53
medium-DFT	99 904.56	1525.80	197129.63	143605.41
small+	99 907.55	1527.03	197131.91	143608.06
G4-E	100044.38	1528.35	197275.39	143749.04