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

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

MP2/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3534 2444 A1 1090  
2 A 3400 2777 A1 623  
3 A 2863 2723 A1 140  
4 A 1658 1490 A1 168  
5 A 1619 1338 A2 281  
6 A 1408 255 B1 1153  
7 A 1215 846 B1 369  
8 A 1039 208 B2 831  
9 A 1014 779 B2 235  
10 A 621        
11 A 546        
12 A 406        
The calculated vibrational frequencies were scaled by 0.9545

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.