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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

BLYP/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3030 24 A1 3006  
2 A1 1505 38 A1 1467  
3 A1 1215 -52 A1 1267  
4 A1 1085 -61 A1 1146  
5 A1 785 -72 A1 857  
6 A2 3105 42 A2 3063  
7 A2 1160 110 A2 1050  
8 A2 962 -58 A2 1020  
9 B1 3124 59 B1 3065  
10 B1 1070 -76 B1 1146  
11 B1 801 4 B1 797  
12 B2 3022 16 B2 3006  
13 B2 1490 31 B2 1459  
14 B2 1096 -63 B2 1159  
15 B2 691 -133 B2 824  
The calculated vibrational frequencies were scaled by 0.9924

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.