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

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

B3PW91/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3536 2446 A1 1090  
2 A1 558 -65 A1 623  
3 A' 2839 2699 A1 140  
4 A1 152 -16 A1 168  
5 A' 1605 1324 A2 281  
6 B1 1181 28 B1 1153  
7 A' 1232 863 B1 369  
8 B2 743 -88 B2 831  
9 A' 548 313 B2 235  
10 A" 1043        
11 A" 659        
12 A" 497        
The calculated vibrational frequencies were scaled by 0.9612

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.