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Compare vibrational frequencies in CCCBDB for CH3COOH (Acetic acid)

LSDA/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       -3583 A'   3583  
2       -3051 A'   3051  
3       -2944 A'   2944  
4       -1788 A'   1788  
5       -1430 A'   1430  
6       -1382 A'   1382  
7       -1264 A'   1264  
8       -1182 A'   1182  
9       -989 A'   989  
10       -847 A'   847  
11       -657 A'   657  
12        A'     questionable (581 listed)
13       -2996 A"   2996  
14       -1430 A"   1430  
15       -1048 A"   1048  
16       -642 A"   642  
17       -534 A"   534  
18       -93 A"   93  
The calculated vibrational frequencies were scaled by 0.985

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.