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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 13 A1 1467  
3 A1 1225 -42 A1 1267  
4 A1 1096 -50 A1 1146  
5 A1 870 13 A1 857  
6 A2 3077 14 A2 3063  
7 A2 1077 27 A2 1050  
8 A2 942 -78 A2 1020  
9 B1 3087 22 B1 3065  
10 B1 1042 -104 B1 1146  
11 B1 772 -25 B1 797  
12 B2 2951 -55 B2 3006  
13 B2 1445 -14 B2 1459  
14 B2 1049 -110 B2 1159  
15 B2 916 92 B2 824  
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.