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

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

B1B95/6-311G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3618 2528 A1 1090  
2 A1 611 -12 A1 623  
3 A' 2844 2704 A1 140  
4 A1 158 -10 A1 168  
5 A' 1590 1309 A2 281  
6 B1 1153 0 B1 1153  
7 A' 1239 870 B1 369  
8 B2 789 -42 B2 831  
9 A' 545 310 B2 235  
10 A" 1006        
11 A" 633        
12 A" 204        
The calculated vibrational frequencies were scaled by 0.9586

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.