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

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

MP2/LANL2DZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3616 2526 A1 1090  
2 A 3465 2842 A1 623  
3 A 2950 2810 A1 140  
4 A 1638 1470 A1 168  
5 A 1580 1299 A2 281  
6 A 1358 205 B1 1153  
7 A 1222 853 B1 369  
8 A 1014 183 B2 831  
9 A 975 740 B2 235  
10 A 627        
11 A 523        
12 A 469        
The calculated vibrational frequencies were scaled by 0.9631

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.