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

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

mPW1PW91/6-31G(2df,p)

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3619 2529 A1 1090  
2 A1 612 -11 A1 623  
3 A' 2828 2688 A1 140  
4 A1 163 -5 A1 168  
5 A' 1550 1269 A2 281  
6 B1 1161 8 B1 1153  
7 A' 1231 862 B1 369  
8 B2 798 -33 B2 831  
9 A' 539 304 B2 235  
10 A" 1015        
11 A" 625        
12 A" 168        
The calculated vibrational frequencies were scaled by 0.9547

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.