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

PBEPBE/6-31G

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 3211 3167   107 A1   3060  
2 A1 1621 1599   15 A1   1584  
3 A1 1157 1141           
4 A1 550 543           
5 A1 108 106           
6 A2 898 886           
7 A2 377 372           
8 B1 705 695   -2384 B1   3079  
9 B2 3186 3142           
10 B2 1259 1241           
11 B2 716 706           
12 B2 449 443           
The calculated vibrational frequencies were scaled by 0.9862

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.