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

mPW1PW91/aug-cc-pVDZ

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 3256 3121   61 A1   3060  
2 A1 1661 1592   8 A1   1584  
3 A1 1168 1119           
4 A1 606 581           
5 A1 108 104           
6 A2 897 860           
7 A2 383 367           
8 B1 690 661   -2417 B1   3079  
9 B2 3235 3100           
10 B2 1272 1219           
11 B2 776 744           
12 B2 483 463           
The calculated vibrational frequencies were scaled by 0.9583

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.