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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

BLYP/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3019 13 A1 3006  
2 A1 1523 25 A1 1498  
3 A1 1173 -98 A1 1271  
4 A1 1077 -43 A1 1120  
5 A1 788 -89 A1 877  
6 A2 3087 24 A2 3063  
7 A2 1155 -145 A2 1300  
8 A2 948 88 A2 860  
9 B1 3107 42 B1 3065  
10 B1 1063 -79 B1 1142  
11 B1 809 -13 B1 822  
12 B2 3010 4 B2 3006  
13 B2 1507 35 B2 1472  
14 B2 1071 -80 B2 1151  
15 B2 721 -171 B2 892  
The calculated vibrational frequencies were scaled by 0.9945

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.