# 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
        5.5334487875         1.0000  12
        3.4490543089         1.0000  45
        3.3669688732         1.0000  44
        3.2778256096         2.0000  42,14
        2.9873042567         2.0000  43,15
        2.8441883850         1.0000  7
        2.6800066327         1.0000  29
        2.3478414429         1.0000  19
        2.2538755769         4.0000  34,35,8,20
        1.9653202285         1.0000  4
        1.8872783545         2.0000  21,37
        1.8066501333         1.0000  36
        1.7154068493         1.0000  33
        1.5762269627         1.0000  47
        1.5177789333         1.0000  51
        1.2464264525         1.0000  26
        1.1955327845         1.0000  24
        1.0538086281         2.0000  5,52
        0.9679855420         1.0000  25
        0.8768215937         2.0000  32,49
        0.7139326156         1.0000  53
        0.5691156472         1.0000  48