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

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

B3PW91/6-31+G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3611 2521 A1 1090  
2 A1 591 -32 A1 623  
3 A' 2865 2725 A1 140  
4 A1 162 -6 A1 168  
5 A' 1558 1277 A2 281  
6 B1 1114 -39 B1 1153  
7 A' 1229 860 B1 369  
8 B2 772 -59 B2 831  
9 A' 543 308 B2 235  
10 A" 996        
11 A" 616        
12 A" 263        
The calculated vibrational frequencies were scaled by 0.9601

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.