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

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

CCD/6-311G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3605 2515 A1 1090  
2 A 3482 2859 A1 623  
3 A 2867 2727 A1 140  
4 A 1801 1633 A1 168  
5 A 1623 1342 A2 281  
6 A 1391 238 B1 1153  
7 A 1248 879 B1 369  
8 A 1056 225 B2 831  
9 A 1012 777 B2 235  
10 A 604        
11 A 554        
12 A 344        
The calculated vibrational frequencies were scaled by 0.9551

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.