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Compare vibrational frequencies in CCCBDB for CHF2Cl (difluorochloromethane)

PBEPBE/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' 3086 3058   37 A'   3021  
2 A' 1246 1234   -78 A'   1313  
3 A' 1086 1076   -31 A'   1107  
4 A' 662 656   -156 A'   812 affected by fermi resonance 2nu6
5 A' 539 534   -62 A'   596  
6 A' 328 325   -88 A'   413  
7 A" 1364 1351   0 A"   1351  
8 A" 1174 1163   36 A"   1127  
9 A" 299 296   -70 A"   366  
The calculated vibrational frequencies were scaled by 0.9909

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.