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

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

CCSD(T)/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3572 2482 A1 1090  
2 A 3446 2823 A1 623  
3 A 2885 2745 A1 140  
4 A 1761 1593 A1 168  
5 A 1589 1308 A2 281  
6 A 1389 236 B1 1153  
7 A 1247 878 B1 369  
8 A 1041 210 B2 831  
9 A 998 763 B2 235  
10 A 607        
11 A 541        
12 A 282        
The calculated vibrational frequencies were scaled by 0.9621

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.