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

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

BLYP/cc-pVTZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3593 2503 A1 1090  
2 A 3458 2835 A1 623  
3 A 2824 2684 A1 140  
4 A 1724 1556 A1 168  
5 A 1564 1283 A2 281  
6 A 1374 221 B1 1153  
7 A 1217 848 B1 369  
8 A 1011 180 B2 831  
9 A 995 760 B2 235  
10 A 632        
11 A 547        
12 A 166        
The calculated vibrational frequencies were scaled by 0.997

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.