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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

B3LYP/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3027 21 A1 3006  
2 A1 1501 3 A1 1498  
3 A1 1226 -45 A1 1271  
4 A1 1096 -24 A1 1120  
5 A1 800 -77 A1 877  
6 A2 3104 41 A2 3063  
7 A2 1159 -141 A2 1300  
8 A2 972 112 A2 860  
9 B1 3121 56 B1 3065  
10 B1 1079 -63 B1 1142  
11 B1 804 -18 B1 822  
12 B2 3018 12 B2 3006  
13 B2 1482 10 B2 1472  
14 B2 1112 -39 B2 1151  
15 B2 730 -162 B2 892  
The calculated vibrational frequencies were scaled by 0.962

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.