# Summary of NMR spectra (SCF GIAO Magnetic shielding)
# Values for element H only
# Reference:  TMS B3LYP/6-31G(d,p) Chloroform
# Reference shielding:  31.7462 ppm
# Degenerate peaks are condensed together (Degeneracy Tolerance 0.05)
#
#        Shift (ppm)     Degeneracy  Atoms
        5.9753796442         1.0000  26
        3.1923266912         2.0000  52,50
        3.0582549585         1.0000  51
        2.9617706052         1.0000  53
        2.7731716989         3.0000  27,32,24
        2.6545285756         1.0000  33
        2.4753362015         3.0000  30,42,40
        2.3286524950         1.0000  48
        2.2244945861         1.0000  43
        2.0029679122         3.0000  25,41,31
        1.8384417064         1.0000  29
        1.5769651862         4.0000  36,28,37,45
        1.2748444163         3.0000  49,46,44
        1.2044396415         1.0000  35
        0.9607134010         3.0000  34,38,39
        0.6348738982         1.0000  47