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Compare vibrational frequencies in CCCBDB for CH3COOH (Acetic acid)

wB97X-D/6-31+G**

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 A' 3847 3664   81 A'   3583  
2 A' 3219 3065   14 A'   3051  
3 A' 3092 2944   0 A'   2944  
4 A' 1868 1779   -9 A'   1788  
5 A' 1477 1407   -23 A'   1430  
6 A' 1430 1362   -20 A'   1382  
7 A' 1357 1292   28 A'   1264  
8 A' 1233 1174   -8 A'   1182  
9 A' 1018 970   -19 A'   989  
10 A' 882 840   -7 A'   847  
11 A' 591 563   -94 A'   657  
12 A' 430 410    A'     questionable (581 listed)
13 A" 3171 3020   24 A"   2996  
14 A" 1483 1412   -18 A"   1430  
15 A" 1065 1014   -34 A"   1048  
16 A" 674 641   -1 A"   642  
17 A" 543 517   -17 A"   534  
18 A" 112i 107i   -200 A"   93  
The calculated vibrational frequencies were scaled by 0.9523

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.