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

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

mPW1PW91/aug-cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3608 2518 A1 1090  
2 A1 598 -25 A1 623  
3 A' 2863 2723 A1 140  
4 A1 160 -8 A1 168  
5 A' 1552 1271 A2 281  
6 B1 1110 -43 B1 1153  
7 A' 1231 862 B1 369  
8 B2 788 -43 B2 831  
9 A' 541 306 B2 235  
10 A" 1001        
11 A" 620        
12 A" 258        
The calculated vibrational frequencies were scaled by 0.9583

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.