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

TPSSh/6-311G**

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 3220 3220   160 A1   3060  
2 A1 1623 1623   39 A1   1584  
3 A1 1178 1178           
4 A1 587 587           
5 A1 105 105           
6 A2 886 886           
7 A2 378 378           
8 B1 686 686   -2393 B1   3079  
9 B2 3198 3198           
10 B2 1285 1285           
11 B2 761 761           
12 B2 475 475           
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.