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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

B3PW91/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2960 -46 A1 3006  
2 A1 1475 8 A1 1467  
3 A1 1226 -41 A1 1267  
4 A1 1106 -40 A1 1146  
5 A1 872 15 A1 857  
6 A2 3079 16 A2 3063  
7 A2 1080 30 A2 1050  
8 A2 942 -78 A2 1020  
9 B1 3088 23 B1 3065  
10 B1 1043 -103 B1 1146  
11 B1 769 -28 B1 797  
12 B2 2950 -56 B2 3006  
13 B2 1435 -24 B2 1459  
14 B2 1060 -99 B2 1159  
15 B2 936 112 B2 824  
The calculated vibrational frequencies were scaled by 0.885

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.