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

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

B1B95/aug-cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3608 2518 A1 1090  
2 A 3464 2841 A1 623  
3 A 2862 2722 A1 140  
4 A 1744 1576 A1 168  
5 A 1547 1266 A2 281  
6 A 1347 194 B1 1153  
7 A 1229 860 B1 369  
8 A 1012 181 B2 831  
9 A 999 764 B2 235  
10 A 620        
11 A 537        
12 A 259        
The calculated vibrational frequencies were scaled by 0.9579

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.