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

CCD/cc-pVDZ

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 3258 3117   57 A1   3060  
2 A1 1671 1599   15 A1   1584  
3 A1 1192 1140           
4 A1 599 573           
5 A1 110 106           
6 A2 911 871           
7 A2 378 362           
8 B1 700 669   -2409 B1   3079  
9 B2 3235 3095           
10 B2 1303 1247           
11 B2 778 744           
12 B2 479 458           
The calculated vibrational frequencies were scaled by 0.9567

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.