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

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

HF/SDD

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3602 2512 A1 1090  
2 A 3462 2839 A1 623  
3 A 2958 2818 A1 140  
4 A 1678 1510 A1 168  
5 A 1622 1341 A2 281  
6 A 1378 225 B1 1153  
7 A 1241 872 B1 369  
8 A 1049 218 B2 831  
9 A 1047 812 B2 235  
10 A 641        
11 A 543        
12 A 513        
The calculated vibrational frequencies were scaled by 0.9004

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.