# Summary of NMR spectra (SCF GIAO Magnetic shielding) # Values for element C only # Reference: TMS B3LYP/6-31G(d,p) Benzene # Reference shielding: 192.066 ppm # Degenerate peaks are condensed together (Degeneracy Tolerance 0.05) # # Shift (ppm) Degeneracy Atoms 212.1377242641 1.0000 17 148.7925664222 1.0000 1 118.4427116477 1.0000 7 88.9534124163 1.0000 19 67.4661419280 1.0000 13 56.2099397697 1.0000 10 55.4328567837 1.0000 4 49.9883348662 1.0000 5 46.7193013411 1.0000 25 44.3670113531 1.0000 24 41.1964378066 1.0000 20 37.5722484587 1.0000 6 36.1790526321 1.0000 11 31.9790258626 1.0000 14 28.9601837066 1.0000 15 28.5938974632 1.0000 2 25.7596834316 1.0000 9 25.1060104585 1.0000 3 23.1792273671 1.0000 8 21.6373228744 1.0000 12