# 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
        5.5332643603         1.0000  22
        3.4490930226         1.0000  35
        3.3664929126         1.0000  34
        3.2775735266         2.0000  32,36
        2.9874661941         2.0000  33,37
        2.8439549843         1.0000  38
        2.6797284299         1.0000  24
        2.3477914221         1.0000  42
        2.2538505577         4.0000  28,29,39,44
        1.9651278668         1.0000  41
        1.8872516135         2.0000  43,31
        1.8065159577         1.0000  30
        1.7156488945         1.0000  27
        1.5761176199         1.0000  48
        1.5179444208         1.0000  45
        1.2461634974         1.0000  51
        1.1957616766         1.0000  53
        1.0537753904         2.0000  40,47
        0.9678036531         1.0000  52
        0.8768606358         2.0000  26,50
        0.7140021619         1.0000  46
        0.5689248476         1.0000  49