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

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

B3LYPultrafine/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3561 2471 A1 1090  
2 A 3435 2812 A1 623  
3 A 2839 2699 A1 140  
4 A 1762 1594 A1 168  
5 A 1571 1290 A2 281  
6 A 1377 224 B1 1153  
7 A 1227 858 B1 369  
8 A 1016 185 B2 831  
9 A 1001 766 B2 235  
10 A 624        
11 A 541        
12 A 82        
The calculated vibrational frequencies were scaled by 0.958

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.