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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for CBr2F2 (Methane, dibromodifluoro-)

MP2=FULL/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 1067 -23 A1 1090  
2 A1 583 -40 A1 623  
3 A' 583 443 A1 140  
4 A1 165 -3 A1 168  
5 A' 310 29 A2 281  
6 B1 1147 -6 B1 1153  
7 A" 1148 779 B1 369  
8 B2 783 -48 B2 831  
9 A" 268 33 B2 235  
10 A" 997        
11 A" 617        
12 A" 109i        
The calculated vibrational frequencies were scaled by 0.9422

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.