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

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

B3LYP/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3519 2429 A1 1090  
2 A 3391 2768 A1 623  
3 A 2841 2701 A1 140  
4 A 1703 1535 A1 168  
5 A 1611 1330 A2 281  
6 A 1397 244 B1 1153  
7 A 1227 858 B1 369  
8 A 1047 216 B2 831  
9 A 1029 794 B2 235  
10 A 652        
11 A 549        
12 A 481        
The calculated vibrational frequencies were scaled by 0.9649

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.