# SCF GIAO Magnetic shielding # X-Axis: Shift (ppm) # Y-Axis: Degeneracy # Reference: TMS B3LYP/6-31G(d,p) Chloroform # Reference shielding: 192.17 ppm # NMR Degeneracy Tolerance: 0.05 # # X Y Degeneracy 14-C 218.7122425510 1.0000000000 1.0000000000 3-C 145.5666230033 1.0000000000 1.0000000000 6-C 122.1221296361 1.0000000000 1.0000000000 9-C 90.2577857050 1.0000000000 1.0000000000 13-C 57.5793743201 1.0000000000 1.0000000000 8-C 56.9882328145 1.0000000000 1.0000000000 4-C 53.9314710793 1.0000000000 1.0000000000 16-C 51.4574687316 1.0000000000 1.0000000000 10-C 50.3213363612 1.0000000000 1.0000000000 22-C 47.9480484768 1.0000000000 1.0000000000 5-C 47.6218274872 1.0000000000 1.0000000000 21-C 42.1214159660 1.0000000000 1.0000000000 12-C 42.0033007352 1.0000000000 1.0000000000 7-C 30.8729737726 1.0000000000 1.0000000000 2-C 30.5765738962 1.0000000000 1.0000000000 1-C 27.3607461065 1.0000000000 1.0000000000 17-C 26.4831272267 1.0000000000 1.0000000000 11-C 22.5066799946 1.0000000000 1.0000000000 18-C 19.7151925419 1.0000000000 1.0000000000 19-C 17.4914238092 1.0000000000 1.0000000000