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

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

CISD/6-311G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3574 2484 A1 1090  
2 A 3451 2828 A1 623  
3 A 2849 2709 A1 140  
4 A 1769 1601 A1 168  
5 A 1600 1319 A2 281  
6 A 1375 222 B1 1153  
7 A 1229 860 B1 369  
8 A 1039 208 B2 831  
9 A 1013 778 B2 235  
10 A 601        
11 A 546        
12 A 253        
The calculated vibrational frequencies were scaled by 0.9253

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.