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

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

MP2/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 1066 -24 A1 1090  
2 A1 582 -41 A1 623  
3 A' 582 442 A1 140  
4 A1 164 -4 A1 168  
5 A' 309 28 A2 281  
6 B1 1145 -8 B1 1153  
7 A" 1147 778 B1 369  
8 B2 781 -50 B2 831  
9 A" 266 31 B2 235  
10 A" 995        
11 A" 616        
12 A" 128i        
The calculated vibrational frequencies were scaled by 0.943

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.