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

Compare vibrational frequencies in CCCBDB for CH3OO (methylperoxy radical)

MP2/CEP-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3117 84 A' 3033  
2 A' 2967 13 A' 2954  
3 A' 1469 16 A' 1453  
4 A' 1436 28 A' 1408  
5 A' 1348 165 A' 1183  
6 A' 1128 11 A' 1117  
7 A' 845 -57 A' 902  
8 A' 438 -44 A' 482  
9 A" 3099 79 A" 3020  
10 A" 1449 8 A" 1441  
11 A" 1088        
12 A" 109 -61 A" 170  
The calculated vibrational frequencies were scaled by 0.9663

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.