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Compare vibrational frequencies in CCCBDB for CHBrCHBr (Ethene, 1,2-dibromo-, (Z)-)

HF/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 A1 3436 3088   28 A1   3060  
2 A1 1813 1629   45 A1   1584  
3 A1 1296 1165           
4 A1 617 555           
5 A1 123 111           
6 A2 1061 953           
7 A2 418 375           
8 B1 789 709   -2370 B1   3079  
9 B2 3412 3066           
10 B2 1413 1270           
11 B2 816 733           
12 B2 505 453           
The calculated vibrational frequencies were scaled by 0.8985

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.