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

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

BLYP/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3589 2499 A1 1090  
2 A 3447 2824 A1 623  
3 A 2886 2746 A1 140  
4 A 1667 1499 A1 168  
5 A 1603 1322 A2 281  
6 A 1377 224 B1 1153  
7 A 1236 867 B1 369  
8 A 1024 193 B2 831  
9 A 996 761 B2 235  
10 A 653        
11 A 542        
12 A 493        
The calculated vibrational frequencies were scaled by 0.9924

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.