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Compare vibrational frequencies in CCCBDB for CH3COOH (Acetic acid)

B97D3/6-31+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' 3673 3610   27 A'   3583  
2 A' 3136 3082   31 A'   3051  
3 A' 3013 2961   17 A'   2944  
4 A' 1771 1741   -47 A'   1788  
5 A' 1449 1424   -6 A'   1430  
6 A' 1377 1354   -28 A'   1382  
7 A' 1301 1279   15 A'   1264  
8 A' 1170 1150   -32 A'   1182  
9 A' 973 957   -32 A'   989  
10 A' 837 822   -25 A'   847  
11 A' 565 555   -102 A'   657  
12 A' 415 408    A'     questionable (581 listed)
13 A" 3083 3030   34 A"   2996  
14 A" 1454 1429   -1 A"   1430  
15 A" 1039 1021   -27 A"   1048  
16 A" 657 646   4 A"   642  
17 A" 532 523   -11 A"   534  
18 A" 46 45   -48 A"   93  
The calculated vibrational frequencies were scaled by 0.9828

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.