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

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

BLYP/6-31+G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3596 2506 A1 1090  
2 A1 573 -50 A1 623  
3 A' 2862 2722 A1 140  
4 A1 154 -14 A1 168  
5 A' 1563 1282 A2 281  
6 B1 1043 -110 B1 1153  
7 A' 1214 845 B1 369  
8 B2 717 -114 B2 831  
9 A' 543 308 B2 235  
10 A" 980        
11 A" 622        
12 A" 229        
The calculated vibrational frequencies were scaled by 0.9947

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.