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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 34 A1 1467  
3 A1 1226 -41 A1 1267  
4 A1 1096 -50 A1 1146  
5 A1 800 -57 A1 857  
6 A2 3104 41 A2 3063  
7 A2 1159 109 A2 1050  
8 A2 972 -48 A2 1020  
9 B1 3121 56 B1 3065  
10 B1 1079 -67 B1 1146  
11 B1 804 7 B1 797  
12 B2 3018 12 B2 3006  
13 B2 1482 23 B2 1459  
14 B2 1112 -47 B2 1159  
15 B2 730 -94 B2 824  
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.