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

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

B1B95/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3578 2488 A1 1090  
2 A1 596 -27 A1 623  
3 A' 2843 2703 A1 140  
4 A1 161 -7 A1 168  
5 A' 1564 1283 A2 281  
6 B1 1183 30 B1 1153  
7 A' 1234 865 B1 369  
8 B2 775 -56 B2 831  
9 A' 536 301 B2 235  
10 A" 1000        
11 A" 623        
12 A" 135        
The calculated vibrational frequencies were scaled by 0.9493

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.