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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

PBEPBE/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2961 -45 A1 3006  
2 A1 1480 -18 A1 1498  
3 A1 1225 -46 A1 1271  
4 A1 1096 -24 A1 1120  
5 A1 870 -7 A1 877  
6 A2 3077 14 A2 3063  
7 A2 1077 -223 A2 1300  
8 A2 942 82 A2 860  
9 B1 3087 22 B1 3065  
10 B1 1042 -100 B1 1142  
11 B1 772 -50 B1 822  
12 B2 2951 -55 B2 3006  
13 B2 1445 -27 B2 1472  
14 B2 1049 -102 B2 1151  
15 B2 916 24 B2 892  
The calculated vibrational frequencies were scaled by 0.9136

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.