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

wB97X-D/CEP-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 3267 3267   207 A1   3060  
2 A1 1672 1672   88 A1   1584  
3 A1 1202 1202           
4 A1 586 586           
5 A1 112 112           
6 A2 926 926           
7 A2 371 371           
8 B1 709 709   -2370 B1   3079  
9 B2 3236 3236           
10 B2 1297 1297           
11 B2 768 768           
12 B2 465 465           
The calculated vibrational frequencies were scaled by 1

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.