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

B1B95/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 3249 3249   189 A1   3060  
2 A1 1660 1660   76 A1   1584  
3 A1 1175 1175           
4 A1 607 607           
5 A1 112 112           
6 A2 920 920           
7 A2 389 389           
8 B1 695 695   -2384 B1   3079  
9 B2 3227 3227           
10 B2 1285 1285           
11 B2 777 777           
12 B2 484 484           
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.