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

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

MP2/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3359 2269 A1 1090  
2 A 3182 2559 A1 623  
3 A 2897 2757 A1 140  
4 A 1628 1460 A1 168  
5 A 1577 1296 A2 281  
6 A 1307 154 B1 1153  
7 A 1174 805 B1 369  
8 A 991 160 B2 831  
9 A 836 601 B2 235  
10 A 706        
11 A 486        
12 A 336        
The calculated vibrational frequencies were scaled by 0.8719

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.