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

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

PBEPBE/6-31G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3607 2517 A1 1090  
2 A1 590 -33 A1 623  
3 A' 2815 2675 A1 140  
4 A1 159 -9 A1 168  
5 A' 1545 1264 A2 281  
6 B1 1159 6 B1 1153  
7 A' 1226 857 B1 369  
8 B2 739 -92 B2 831  
9 A' 534 299 B2 235  
10 A" 985        
11 A" 637        
12 A" 151        
The calculated vibrational frequencies were scaled by 0.9863

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.