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

HSEh1PBE/STO-3G

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' 749 661   -561 A'   1222  
2 A' 552 487   -207 A'   694  
3 A' 457 404   -85 A'   489  
4 A' 269 238   -244 A'   482  
5 A' 233 206   -113 A'   319  
6 A' 87 77   -147 A'   224  
7 A" 736 650   -26 A"   676  
8 A" 290 256   -243 A"   499  
9 A" 277 244   -168 A"   412  
The calculated vibrational frequencies were scaled by 0.8831

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.