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

QCISD(T)/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 3207 3087   28 A1   3060  
2 A1 1607 1547   -37 A1   1584  
3 A1 1200 1155           
4 A1 585 563           
5 A1 110 106           
6 A2 850 818           
7 A2 359 346           
8 B1 673 648   -2430 B1   3079  
9 B2 3185 3066           
10 B2 1305 1256           
11 B2 768 739           
12 B2 470 452           
The calculated vibrational frequencies were scaled by 0.9628

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.