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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

DREIDING

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1   -3006 A1 3006  
2   -1467 A1 1467  
3   -1267 A1 1267  
4   -1146 A1 1146  
5   -857 A1 857  
6   -3063 A2 3063  
7   -1050 A2 1050  
8   -1020 A2 1020  
9   -3065 B1 3065  
10   -1146 B1 1146  
11   -797 B1 797  
12   -3006 B2 3006  
13   -1459 B2 1459  
14   -1159 B2 1159  
15   -824 B2 824  
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.