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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 -15 A1 1498  
3 A1 1222 -49 A1 1271  
4 A1 1089 -31 A1 1120  
5 A1 791 -86 A1 877  
6 A2 3108 45 A2 3063  
7 A2 1144 -156 A2 1300  
8 A2 975 115 A2 860  
9 B1 3126 61 B1 3065  
10 B1 1076 -66 B1 1142  
11 B1 795 -27 B1 822  
12 B2 3002 -4 B2 3006  
13 B2 1462 -10 B2 1472  
14 B2 1094 -57 B2 1151  
15 B2 724 -168 B2 892  
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.