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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 3522 2432 A1 1090  
2 A 3389 2766 A1 623  
3 A 2854 2714 A1 140  
4 A 1653 1485 A1 168  
5 A 1614 1333 A2 281  
6 A 1403 250 B1 1153  
7 A 1211 842 B1 369  
8 A 1036 205 B2 831  
9 A 1011 776 B2 235  
10 A 619        
11 A 544        
12 A 404        
The calculated vibrational frequencies were scaled by 0.9513

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.