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Compare vibrational frequencies in CCCBDB for CH3COCl (Acetyl Chloride)

LSDA/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       -3027 A'   3027  
2       -2948 A'   2948  
3       -1818 A'   1818  
4       -1415 A'   1415  
5       -1368 A'   1368  
6       -1108 A'   1108  
7       -956 A'   956  
8       -604 A'   604  
9       -445 A'   445  
10       -348 A'   348  
11       -2990 A"   2990  
12       -1431 A"   1431  
13       -1032 A"   1032  
14       -518 A"   518  
15       -166 A"   166  
The calculated vibrational frequencies were scaled by 0.9837

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.