Table presents the selected geometric parameters of the hydrocarbons obtained using the B3LYP/aug-cc-pVTZ method. The optimized Cartesian coordinates of the hydrocarbons can be found in Table of the Supplementary Materials. The ring perimeters (Rn, where n represents the number of carbons forming the rings, n = 3, 4, 5, and 6) are determined simply as the sum of the bond lengths forming the ring . As a result, the ring perimeters Rn (123456) serve as collective indicators of relaxation or variation of the carbon skeleton in QC, PPL, NBN, and NBA with respect to NBD. All ring perimeters, such as R5||(17432) (R5 in the double C=C side of NBN) and R5|(17456) (R5 in the single C-C side of NBN) in NBD, NBA, PPL, and QC, are the same due to their C2v point group symmetry, except for NBN with a Cs symmetry. The geometries of the compounds obtained in this study agree well with previous theoretical and experimental studies [40-44]. It is not surprising that the perimeters vary due to the saturation of the C=C bonds in the compounds. For example, the perimeters R5|( Å, which are expanded by the forced adoption of an eclipsed conformation and by angle strain through a "scissor effect" [16].