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

B2PLYP=FULLultrafine/STO-3G

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 3478 3478   418 A1   3060  
2 A1 1747 1747   163 A1   1584  
3 A1 1288 1288           
4 A1 660 660           
5 A1 107 107           
6 A2 996 996           
7 A2 397 397           
8 B1 737 737   -2342 B1   3079  
9 B2 3455 3455           
10 B2 1441 1441           
11 B2 856 856           
12 B2 520 520           
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.