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Compare vibrational frequencies in CCCBDB for CH2ClCHO (chloroacetaldehyde)

MP2/6-31G(2df,p)

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 3228 3048   47 A   3001 11
2 A 3139 2965   10 A   2955  
3 A 3013 2846   15 A   2831 2
4 A 1793 1693   -60 A   1753 3
5 A 1475 1393   -24 A   1417 4
6 A 1425 1346   -32 A   1378 5
7 A 1282 1211   -32 A   1243 6
8 A 1200 1133   -30 A   1163 12
9 A 1073 1013   -23 A   1036 7
10 A 1042 984   -36 A   1020 13
11 A 846 799   -7 A   806 14
12 A 725 685   -57 A   742 8
13 A 464 438   -26 A   464 9
14 A 290 274   -18 A   292 10
15 A 61 58   31 A   27 15
The calculated vibrational frequencies were scaled by 0.9445

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.