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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

PBEPBE/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2905 -101 A1 3006  
2 A1 1452 -46 A1 1498  
3 A1 1141 -130 A1 1271  
4 A1 1037 -83 A1 1120  
5 A1 784 -93 A1 877  
6 A2 2975 -88 A2 3063  
7 A2 1101 -199 A2 1300  
8 A2 912 52 A2 860  
9 B1 2994 -71 B1 3065  
10 B1 1024 -118 B1 1142  
11 B1 776 -46 B1 822  
12 B2 2896 -110 B2 3006  
13 B2 1433 -39 B2 1472  
14 B2 1026 -125 B2 1151  
15 B2 726 -166 B2 892  
The calculated vibrational frequencies were scaled by 0.9535

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.