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

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

MP2=FULL/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3580 2490 A1 1090  
2 A 3435 2812 A1 623  
3 A 2859 2719 A1 140  
4 A 1753 1585 A1 168  
5 A 1531 1250 A2 281  
6 A 1363 210 B1 1153  
7 A 1227 858 B1 369  
8 A 1024 193 B2 831  
9 A 993 758 B2 235  
10 A 605        
11 A 537        
12 A 294        
The calculated vibrational frequencies were scaled by 0.9504

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.