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

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

HF/aug-cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3611 2521 A1 1090  
2 A 3475 2852 A1 623  
3 A 2890 2750 A1 140  
4 A 1765 1597 A1 168  
5 A 1599 1318 A2 281  
6 A 1388 235 B1 1153  
7 A 1237 868 B1 369  
8 A 1063 232 B2 831  
9 A 1043 808 B2 235  
10 A 604        
11 A 558        
12 A 161        
The calculated vibrational frequencies were scaled by 0.9106

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.