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

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

mPW1PW91/6-311G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3604 2514 A1 1090  
2 A1 610 -13 A1 623  
3 A' 2833 2693 A1 140  
4 A1 158 -10 A1 168  
5 A' 1587 1306 A2 281  
6 B1 1146 -7 B1 1153  
7 A' 1235 866 B1 369  
8 B2 785 -46 B2 831  
9 A' 545 310 B2 235  
10 A" 1004        
11 A" 633        
12 A" 212        
The calculated vibrational frequencies were scaled by 0.9544

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.