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Compare vibrational frequencies in CCCBDB for ClOF3 (Chlorine trifluoride oxide)

B3LYP/CEP-121G

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' 795 775   -447 A'   1222  
2 A' 529 515   -179 A'   694  
3 A' 404 394   -95 A'   489  
4 A' 278 271   -211 A'   482  
5 A' 180 176   -143 A'   319  
6 A' 118 115   -109 A'   224  
7 A" 632 616   -60 A"   676  
8 A" 299 291   -208 A"   499  
9 A" 239 233   -179 A"   412  
The calculated vibrational frequencies were scaled by 0.9745

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.