Table 2.

B3LYP‐PCM‐DMSO ¹H NMR chemical shifts (in ppm) regression analysis for rutin molecule.

Rutin	B3LYP/6‐31G(d,p)‐PCM‐DMSO
strs.	Regression slope[a]	Regression intercept[a]	Adjusted R 2 (adj‐R2)[b]
27	0.952(±.041)	0.515(±0.198)	0.973(±1.342)
28	1.033(±0.058)	−0.096(±0.281)	0.954(±2.698)
30	0.959(±0.040)	0.408(±0.195)	0.974(±1.295)
32	0.960(±0.025)	0.427(±0.122)	0.990(±0.506)
34	0.948(±0.044)	0.499(±0.214)	0.968(±1.565)

[a] Standard error values are given in parenthesis. [b] Residual sum of squares values are given in parenthesis.