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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

B3LYP/CEP-121G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3014 8 A1 3006  
2 A1 1483 16 A1 1467  
3 A1 1222 -45 A1 1267  
4 A1 1089 -57 A1 1146  
5 A1 791 -66 A1 857  
6 A2 3108 45 A2 3063  
7 A2 1144 94 A2 1050  
8 A2 975 -45 A2 1020  
9 B1 3126 61 B1 3065  
10 B1 1076 -70 B1 1146  
11 B1 795 -2 B1 797  
12 B2 3002 -4 B2 3006  
13 B2 1462 3 B2 1459  
14 B2 1094 -65 B2 1159  
15 B2 724 -100 B2 824  
The calculated vibrational frequencies were scaled by 0.9745

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.