Table 1. Experimental and Theoretical ¹H and ¹³C NMR Chemical Shifts in ppm.

H-atom	experimental	B3LYP	C-atom	experimental	B3LYP
H-34	8.88	9.06	C-17	151.90	151.15
H-25	8.63	8.91	C-3	150.18	153.52
H-23	8.54	8.54	C-1	146.03	152.14
H-29	7.87	8.22	C-8	143.05	143.41
H-33	7.87	8.08	C-9	135.24	132.88
H-30	7.53	8.38	C-10	134.13	142.39
H-26	7.44	7.51	C-19	132.76	129.49
H-28	7.44	7.83	C-5	131.09	136.01
H-27	7.36	7.51	C-20	131.03	132.64
H-32	7.29	7.69	C-12	129.01	133.01
H-31	7.10	7.39	C-14	129.01	134.53
H-24	6.92	7.06	C-11	128.59	131.86
			C-15	128.59	135.59
			C-13	128.52	132.90
			C-21	128.28	142.70
			C-18	126.96	154.37
			C-4	108.88	113.28