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

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

B3LYP/6-311G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3599 2509 A1 1090  
2 A 3468 2845 A1 623  
3 A 2832 2692 A1 140  
4 A 1762 1594 A1 168  
5 A 1596 1315 A2 281  
6 A 1380 227 B1 1153  
7 A 1231 862 B1 369  
8 A 1028 197 B2 831  
9 A 1006 771 B2 235  
10 A 634        
11 A 550        
12 A 192        
The calculated vibrational frequencies were scaled by 0.9663

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.