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

B3LYP/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 3216 3109   49 A1   3060  
2 A1 1631 1577   -7 A1   1584  
3 A1 1183 1143           
4 A1 578 559           
5 A1 106 103           
6 A2 907 877           
7 A2 385 373           
8 B1 687 664   -2415 B1   3079  
9 B2 3194 3088           
10 B2 1287 1244           
11 B2 757 731           
12 B2 474 458           
The calculated vibrational frequencies were scaled by 0.9666

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.