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Compare vibrational frequencies in CCCBDB for CF3Cl (Methane, chlorotrifluoro-)

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 A1 982 976   -129 A1   1105  
2 A1 678 673   -108 A1   781  
3 A1 390 387   -89 A1   476  
4 E 1204 1197   -15 E   1212  
5 E 503 500   -63 E   563  
6 E 302 300   -50 E   350  
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.