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

CCSD/TZVP

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 3269 3120   60 A1   3060  
2 A1 1660 1584   -0 A1   1584  
3 A1 1212 1157           
4 A1 586 559           
5 A1 111 106           
6 A2 852 813           
7 A2 363 347           
8 B1 691 660   -2419 B1   3079  
9 B2 3246 3098           
10 B2 1318 1258           
11 B2 773 738           
12 B2 472 451           
The calculated vibrational frequencies were scaled by 0.9544

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.