# Summary of NMR spectra ( SCF GIAO Magnetic shielding)
# Values for element C only
# Reference:  TMS mPW1PW91/aug-cc-pvtz CDCl3 GIAO
# Reference shielding:  187.581 ppm
# Degenerate peaks are condensed together (Degeneracy Tolerance 0.05)
#
#        Shift (ppm)     Degeneracy  Atoms
      159.7868000000         1.0000  4
      159.1371000000         1.0000  8
      156.2968000000         1.0000  14
      140.6851000000         1.0000  23
       65.7508000000         1.0000  9
       62.0762000000         1.0000  19
       61.2845000000         1.0000  2
       46.5379000000         1.0000  16
       42.4060000000         1.0000  1
       30.6191000000         1.0000  20
       28.3687000000         1.0000  5
       27.3497000000         1.0000  7
       21.2010000000         1.0000  22
       20.9681000000         1.0000  21
       20.4890000000         1.0000  6
       17.7855000000         1.0000  13