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

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

BLYP/6-311G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3594 2504 A1 1090  
2 A 3460 2837 A1 623  
3 A 2813 2673 A1 140  
4 A 1743 1575 A1 168  
5 A 1597 1316 A2 281  
6 A 1377 224 B1 1153  
7 A 1224 855 B1 369  
8 A 1020 189 B2 831  
9 A 990 755 B2 235  
10 A 645        
11 A 548        
12 A 161        
The calculated vibrational frequencies were scaled by 0.9975

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.