# SCF GIAO Magnetic shielding # X-Axis: Shift (ppm) # Y-Axis: Degeneracy # Reference: TMS B3LYP/6-311+G(2d,p) GIAO # Reference shielding: 182.466 ppm # NMR Degeneracy Tolerance: 0.05 # # X Y Degeneracy 7-C 206.3629073097 1.0000000000 1.0000000000 4-C 135.0431552064 1.0000000000 1.0000000000 6-C 115.1302993665 1.0000000000 1.0000000000 13-C 81.6700405527 1.0000000000 1.0000000000 9-C 51.1349262294 1.0000000000 1.0000000000 10-C 47.8859606546 1.0000000000 1.0000000000 1-C 43.1653328506 1.0000000000 1.0000000000 15-C 41.9966479275 1.0000000000 1.0000000000 5-C 36.9278656112 1.0000000000 1.0000000000 24-C 34.7675107209 1.0000000000 1.0000000000 23-C 34.6184802391 1.0000000000 1.0000000000 14-C 29.9075015804 1.0000000000 1.0000000000 8-C 22.7156458243 1.0000000000 1.0000000000 18-C 21.7601255388 1.0000000000 1.0000000000 2-C 21.4642166398 1.0000000000 1.0000000000 11-C 18.9057212563 1.0000000000 1.0000000000 3-C 17.5597600907 1.0000000000 1.0000000000 16-C 16.5963761777 1.0000000000 1.0000000000 12-C 15.8155419889 1.0000000000 1.0000000000 17-C 10.1212403353 1.0000000000 1.0000000000