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

BLYP/3-21G*

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 3153 3133   73 A1   3060  
2 A1 1567 1556   -28 A1   1584  
3 A1 1175 1167           
4 A1 578 574           
5 A1 106 105           
6 A2 882 876           
7 A2 382 379           
8 B1 678 674   -2405 B1   3079  
9 B2 3129 3108           
10 B2 1290 1282           
11 B2 746 741           
12 B2 465 462           
The calculated vibrational frequencies were scaled by 0.9935

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.