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

Compare vibrational frequencies in CCCBDB for C3H3NO (Oxazole)

DREIDING

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1   -3170 A' 3170  
2   -3144 A' 3144  
3   -3141 A' 3141  
4   -1537 A' 1537  
5   -1504 A' 1504  
6   -1324 A' 1324  
7   -1252 A' 1252  
8   -1139 A' 1139  
9   -1086 A' 1086  
10   -1078 A' 1078  
11   -1046 A' 1046  
12   -899 A' 899  
13   -854 A' 854  
14   -907 A" 907  
15   -830 A" 830  
16   -750 A" 750  
17   -647 A" 647  
18   -607 A" 607  
The calculated vibrational frequencies were scaled by 0.936

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.