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

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

B3PW91/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3603 2513 A1 1090  
2 A1 606 -17 A1 623  
3 A' 2828 2688 A1 140  
4 A1 159 -9 A1 168  
5 A' 1528 1247 A2 281  
6 B1 1164 11 B1 1153  
7 A' 1234 865 B1 369  
8 B2 772 -59 B2 831  
9 A' 544 309 B2 235  
10 A" 1007        
11 A" 630        
12 A" 94        
The calculated vibrational frequencies were scaled by 0.965

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.