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

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

B3PW91/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3604 2514 A1 1090  
2 A1 542 -81 A1 623  
3 A' 2902 2762 A1 140  
4 A1 154 -14 A1 168  
5 A' 1603 1322 A2 281  
6 B1 1096 -57 B1 1153  
7 A' 1252 883 B1 369  
8 B2 726 -105 B2 831  
9 A' 544 309 B2 235  
10 A" 1009        
11 A" 661        
12 A" 528        
The calculated vibrational frequencies were scaled by 0.9577

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.