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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' 3611 2521 A1 1090  
2 A1 543 -80 A1 623  
3 A' 2914 2774 A1 140  
4 A1 154 -14 A1 168  
5 A' 1603 1322 A2 281  
6 B1 1107 -46 B1 1153  
7 A' 1257 888 B1 369  
8 B2 738 -93 B2 831  
9 A' 543 308 B2 235  
10 A" 1013        
11 A" 662        
12 A" 529        
The calculated vibrational frequencies were scaled by 0.9537

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.