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

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

mPW1PW91/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3587 2497 A1 1090  
2 A1 541 -82 A1 623  
3 A' 2896 2756 A1 140  
4 A1 155 -13 A1 168  
5 A' 1595 1314 A2 281  
6 B1 1098 -55 B1 1153  
7 A' 1249 880 B1 369  
8 B2 732 -99 B2 831  
9 A' 542 307 B2 235  
10 A" 1007        
11 A" 659        
12 A" 526        
The calculated vibrational frequencies were scaled by 0.9466

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.