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

B3LYPultrafine/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 3241 3113   54 A1   3060  
2 A1 1648 1583   -1 A1   1584  
3 A1 1179 1133           
4 A1 575 552           
5 A1 113 108           
6 A2 899 864           
7 A2 382 367           
8 B1 696 668   -2410 B1   3079  
9 B2 3219 3093           
10 B2 1283 1233           
11 B2 752 722           
12 B2 468 450           
The calculated vibrational frequencies were scaled by 0.9608

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.