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

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

B3PW91/6-311G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3607 2517 A1 1090  
2 A1 609 -14 A1 623  
3 A' 2826 2686 A1 140  
4 A1 158 -10 A1 168  
5 A' 1559 1278 A2 281  
6 B1 1139 -14 B1 1153  
7 A' 1229 860 B1 369  
8 B2 776 -55 B2 831  
9 A' 545 310 B2 235  
10 A" 1011        
11 A" 630        
12 A" 228        
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.