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

B1B95/6-31G**

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 3277 3129   69 A1   3060  
2 A1 1681 1605   21 A1   1584  
3 A1 1185 1131           
4 A1 606 579           
5 A1 122 117           
6 A2 915 874           
7 A2 387 369           
8 B1 705 673   -2406 B1   3079  
9 B2 3256 3109           
10 B2 1295 1236           
11 B2 777 742           
12 B2 484 462           
The calculated vibrational frequencies were scaled by 0.9548

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.