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

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

LSDA/6-311G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3570 2480 A1 1090  
2 A1 618 -5 A1 623  
3 A' 2782 2642 A1 140  
4 A1 159 -9 A1 168  
5 A' 1552 1271 A2 281  
6 B1 1169 16 B1 1153  
7 A' 1247 878 B1 369  
8 B2 779 -52 B2 831  
9 A' 541 306 B2 235  
10 A" 979        
11 A" 655        
12 A" 314        
The calculated vibrational frequencies were scaled by 0.9837

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.