. 2022 Feb 20;47(1):8–16. doi: 10.1584/jpestics.D21-030

Table 2. Repeatability of D_{max aver} calculation in a vacuum by HyperCHEM starting from five different 3-D strctures of each test chemical.

Chemical ID	Formula	No. of dihedral angles	No. of complete locally stable conformers	Energy of most stable conformer (kcal/mol)	D_{max aver} of complete locally stable conformers (Å)
ID29	C₂₂H₃₇Cl₉	27	648–659	32.2–32.3	21.77±0.02
ID30	C₂₄H₄₀Cl₁₀	30	657–666	37.5–37.8	23.40±0.03
ID31	C₂₆H₄₃Cl₁₁	33	660–674	39.9–40.1	23.63±0.02
ID32	C₂₈H₄₆Cl₁₂	36	661–672	36.2–36.3	24.87±0.04
ID33	C₃₀H₄₉Cl₁₃	39	698–717	50.3–50.6	26.35±0.02

Table 2. Repeatability of Dmax aver calculation in a vacuum by HyperCHEM starting from five different 3-D strctures of each test chemical.