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

MP3/Def2TZVPP

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 3287 3287   227 A1   3060  
2 A1 1675 1675   91 A1   1584  
3 A1 1204 1204           
4 A1 610 610           
5 A1 111 111           
6 A2 939 939           
7 A2 390 390           
8 B1 714 714   -2365 B1   3079  
9 B2 3263 3263           
10 B2 1317 1317           
11 B2 790 790           
12 B2 488 488           
The calculated vibrational frequencies were scaled by 1

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.