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

Compare vibrational frequencies in CCCBDB for C3H6 (Cyclopropane)

PM3

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1   -3038 A1' 3038  
2   -1479 A1' 1479  
3   -1188 A1' 1188  
4   -1126 A1" 1126  
5   -1070 A2' 1070  
6   -3103 A2" 3103  
7   -854 A2" 854  
8   -3025 E' 3025  
9   -1438 E' 1438  
10   -1029 E' 1029  
11   -866 E' 866  
12   -3082 E" 3082  
13   -1188 E" 1188  
14   -739 E" 739  
The calculated vibrational frequencies were scaled by 0.974

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.