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Compare vibrational frequencies in CCCBDB for CHF2Cl (difluorochloromethane)

BLYP/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' 3061 2832   -189 A'   3021  
2 A' 1227 1135   -178 A'   1313  
3 A' 1129 1045   -62 A'   1107  
4 A' 688 636   -176 A'   812 affected by fermi resonance 2nu6
5 A' 532 492   -104 A'   596  
6 A' 351 324   -88 A'   413  
7 A" 1391 1287   -64 A"   1351  
8 A" 1184 1096   -31 A"   1127  
9 A" 298 276   -90 A"   366  
The calculated vibrational frequencies were scaled by 0.9252

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.