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Compare vibrational frequencies in CCCBDB for CBrClF2 (Methane, bromochlorodifluoro-)

BLYP/3-21G*

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 A' 1035 1028   -72 A'   1100  
2 A' 715 711   -161 A'   872  
3 A' 571 567   -78 A'   645  
4 A' 367 364   -69 A'   433  
5 A' 303 301   -37 A'   337  
6 A' 199 198   -17 A'   215  
7 A" 1146 1139   -13 A"   1152  
8 A" 357 355   -53 A"   408  
9 A" 257 256   -51 A"   307  
The calculated vibrational frequencies were scaled by 0.9935

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.