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Table 1 Experimental, computed and scaled frequencies (cm-1) for the rutin molecule calculated at the M05-2X/3-21G(d) level of theory

From: Computational molecular characterization of the flavonoid rutin

Exp Computed Scaled Exp Computed Scaled Exp Computed Scaled
598 541 538 919 909 904 1234 1235 1229
634 606 603 924 925 920 1285 1288 1282
657 659 656 944 942 937 1360 1361 1354
713 707 703 977 975 967 1466 1464 1457
719 713 709 1012 1031 1026 1493 1485 1478
724 720 716 1065 1081 1076 1605 1607 1599
729 743 739 1091 1094 1089 1656 1670 1662
791 783 779 1115 1127 1131 2920 2748 2734
805 824 820 1121 1140 1134 2959 3079 3064
834 830 826 1133 1158 1152 2984 3157 3141
878 869 865 1152 1176 1170 3418 3434 3417
914 909 904 1202 1192 1186