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

MP4/cc-pVTZ

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 3225 3126   66 A1   3060  
2 A1 1595 1546   -38 A1   1584  
3 A1 1172 1136           
4 A1 598 579           
5 A1 107 104           
6 A2 890 863           
7 A2 374 363           
8 B1 687 666   -2413 B1   3079  
9 B2 3202 3104           
10 B2 1287 1248           
11 B2 768 744           
12 B2 474 460           
The calculated vibrational frequencies were scaled by 0.9692

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.