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

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

BLYP/6-311G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3591 2501 A1 1090  
2 A 3455 2832 A1 623  
3 A 2805 2665 A1 140  
4 A 1735 1567 A1 168  
5 A 1565 1284 A2 281  
6 A 1371 218 B1 1153  
7 A 1215 846 B1 369  
8 A 1011 180 B2 831  
9 A 997 762 B2 235  
10 A 640        
11 A 546        
12 A 187        
The calculated vibrational frequencies were scaled by 0.9961

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.