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Compare vibrational frequencies in CCCBDB for C6H6 (Fulvene)

PBEPBE/6-311+G(3df,2p)

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A1 661 655   -2433 A1   3088  
2 A1 891 884   -2167 A1   3051  
3 A1 989 981   -2027 A1   3008  
4 A1 1067 1058   -574 A1   1632  
5 A1 1326 1315   -171 A1   1486  
6 A1 1406 1395   -54 A1   1449  
7 A1 1485 1473   131 A1   1342  
8 A1 1648 1634   552 A1   1082  
9 A1 3067 3042   2056 A1   986  
10 A1 3139 3113   2219 A1   894  
11 A1 3162 3136   2495 A1   641  
12 A2 470 466    A2      
13 A2 668 663    A2      
14 A2 752 746   80 A2   666  
15 A2 908 900   406 A2   494  
16 B1 198 197   -729 B1   926  
17 B1 620 615   -292 B1   907  
18 B1 766 759   -10 B1   769  
19 B1 896 889   276 B1   613  
20 B1 930 922    B1      
21 B2 331 328    B2      
22 B2 779 773   -2331 B2   3104  
23 B2 934 927   -2148 B2   3075  
24 B2 1070 1061   -489 B2   1550  
25 B2 1214 1204   -110 B2   1314  
26 B2 1292 1281   49 B2   1232  
27 B2 1562 1549   472 B2   1077  
28 B2 3129 3103   2151 B2   952  
29 B2 3154 3128   2333 B2   795  
30 B2 3157 3131   2781 B2   350  
The calculated vibrational frequencies were scaled by 0.9918

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.