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

MP4/6-31G*

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 3244 3098   38 A1   3060  
2 A1 1619 1545   -39 A1   1584  
3 A1 1193 1139           
4 A1 580 554           
5 A1 117 112           
6 A2 863 824           
7 A2 362 346           
8 B1 693 661   -2418 B1   3079  
9 B2 3223 3077           
10 B2 1301 1243           
11 B2 759 724           
12 B2 463 442           
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.