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

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

PBEPBE/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3599 2509 A1 1090  
2 A1 599 -24 A1 623  
3 A' 2803 2663 A1 140  
4 A1 155 -13 A1 168  
5 A' 1517 1236 A2 281  
6 B1 1147 -6 B1 1153  
7 A' 1231 862 B1 369  
8 B2 742 -89 B2 831  
9 A' 540 305 B2 235  
10 A" 989        
11 A" 642        
12 A" 74        
The calculated vibrational frequencies were scaled by 0.9942

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.