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

MP2/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 3262 3104   44 A1   3060  
2 A1 1614 1536   -48 A1   1584  
3 A1 1184 1127           
4 A1 621 591           
5 A1 111 105           
6 A2 905 861           
7 A2 387 368           
8 B1 701 667   -2412 B1   3079  
9 B2 3239 3082           
10 B2 1295 1232           
11 B2 790 752           
12 B2 487 464           
The calculated vibrational frequencies were scaled by 0.9515

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.