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

PBEPBE/3-21G

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 3184 3155   96 A1   3060  
2 A1 1628 1613   29 A1   1584  
3 A1 1171 1161           
4 A1 570 565           
5 A1 108 107           
6 A2 933 924           
7 A2 399 395           
8 B1 712 705   -2374 B1   3079  
9 B2 3159 3130           
10 B2 1282 1270           
11 B2 744 737           
12 B2 475 470           
The calculated vibrational frequencies were scaled by 0.9909

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.