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Compare vibrational frequencies in CCCBDB for CH2FCl (fluorochloromethane)

B3LYP/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' 3130 3020   27 A'   2993  
2 A' 1559 1505   37 A'   1468  
3 A' 1366 1318   -33 A'   1351  
4 A' 1119 1079   11 A'   1068  
5 A' 624 602   -158 A'   760  
6 A' 321 310   -75 A'   385  
7 A" 3216 3103   55 A"   3048  
8 A" 1246 1202   -34 A"   1236  
9 A" 982 947   -53 A"   1000  
The calculated vibrational frequencies were scaled by 0.9649

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.