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Compare vibrational frequencies in CCCBDB for CH3COOH (Acetic acid)

MP2=FULL/6-311G**

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' 3826 3630   47 A'   3583  
2 A' 3235 3069   18 A'   3051  
3 A' 3110 2950   6 A'   2944  
4 A' 1854 1759   -29 A'   1788  
5 A' 1494 1417   -13 A'   1430  
6 A' 1435 1361   -21 A'   1382  
7 A' 1363 1293   29 A'   1264  
8 A' 1231 1168   -14 A'   1182  
9 A' 1015 963   -26 A'   989  
10 A' 884 839   -8 A'   847  
11 A' 592 562   -95 A'   657  
12 A' 427 405    A'     questionable (581 listed)
13 A" 3196 3031   35 A"   2996  
14 A" 1498 1421   -9 A"   1430  
15 A" 1077 1022   -26 A"   1048  
16 A" 667 632   -10 A"   642  
17 A" 544 516   -18 A"   534  
18 A" 75 71   -22 A"   93  
The calculated vibrational frequencies were scaled by 0.9486

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.