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

MP2/LANL2DZ

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 3237 3118   58 A1   3060  
2 A1 1575 1517   -67 A1   1584  
3 A1 1226 1180           
4 A1 524 504           
5 A1 103 99           
6 A2 892 859           
7 A2 371 357           
8 B1 691 665   -2413 B1   3079  
9 B2 3213 3094           
10 B2 1323 1274           
11 B2 730 703           
12 B2 448 432           
The calculated vibrational frequencies were scaled by 0.9631

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.