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Compare vibrational frequencies in CCCBDB for CH2ClCHO (chloroacetaldehyde)

ROHF/6-31G**

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 3337 2852   -149 A   3001 11
2 A 3259 2785   -170 A   2955  
3 A 3181 2718   -113 A   2831 2
4 A 2034 1739   -14 A   1753 3
5 A 1582 1352   -65 A   1417 4
6 A 1537 1314   -64 A   1378 5
7 A 1404 1199   -44 A   1243 6
8 A 1313 1122   -41 A   1163 12
9 A 1146 979   -57 A   1036 7
10 A 1128 964   -56 A   1020 13
11 A 877 749   -57 A   806 14
12 A 769 657   -85 A   742 8
13 A 494 422   -42 A   464 9
14 A 305 260   -32 A   292 10
15 A 48 41   14 A   27 15
The calculated vibrational frequencies were scaled by 0.8546

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.