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

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

HF/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3520 2430 A1 1090  
2 A 3404 2781 A1 623  
3 A 2890 2750 A1 140  
4 A 1726 1558 A1 168  
5 A 1631 1350 A2 281  
6 A 1419 266 B1 1153  
7 A 1226 857 B1 369  
8 A 1092 261 B2 831  
9 A 1043 808 B2 235  
10 A 646        
11 A 560        
12 A 495        
The calculated vibrational frequencies were scaled by 0.9026

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.