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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

B1B95/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2957 -49 A1 3006  
2 A1 1472 5 A1 1467  
3 A1 1229 -38 A1 1267  
4 A1 1108 -38 A1 1146  
5 A1 875 18 A1 857  
6 A2 3076 13 A2 3063  
7 A2 1075 25 A2 1050  
8 A2 939 -81 A2 1020  
9 B1 3084 19 B1 3065  
10 B1 1041 -105 B1 1146  
11 B1 765 -32 B1 797  
12 B2 2946 -60 B2 3006  
13 B2 1428 -31 B2 1459  
14 B2 1060 -99 B2 1159  
15 B2 944 120 B2 824  
The calculated vibrational frequencies were scaled by 0.883

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.