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Compare vibrational frequencies in CCCBDB for ClF3 (Chlorine trifluoride)

PBEPBEultrafine/aug-cc-pVTZ

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' 528 522           
2 A2" 389 384           
3 E' 60i 59i           
4 E' 558 551           
The calculated vibrational frequencies were scaled by 0.9888

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.