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

BLYP/aug-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 3145 3139   79 A1   3060  
2 A1 1562 1559   -25 A1   1584  
3 A1 1130 1128           
4 A1 549 548           
5 A1 102 102           
6 A2 836 834           
7 A2 365 364           
8 B1 656 655   -2424 B1   3079  
9 B2 3125 3119           
10 B2 1226 1223           
11 B2 721 719           
12 B2 452 451           
The calculated vibrational frequencies were scaled by 0.9981

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.