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

MP4/6-311+G(3df,2p)

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 3214 3033   -26 A1   3060  
2 A1 1587 1497   -87 A1   1584  
3 A1 1172 1106           
4 A1 596 562           
5 A1 109 102           
6 A2 873 824           
7 A2 369 348           
8 B1 674 636   -2443 B1   3079  
9 B2 3191 3011           
10 B2 1281 1209           
11 B2 765 722           
12 B2 472 446           
The calculated vibrational frequencies were scaled by 0.9438

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.