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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

MP2/CEP-121G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3026 20 A1 3006  
2 A1 1492 25 A1 1467  
3 A1 1219 -48 A1 1267  
4 A1 1112 -34 A1 1146  
5 A1 773 -84 A1 857  
6 A2 3131 68 A2 3063  
7 A2 1173 123 A2 1050  
8 A2 975 -45 A2 1020  
9 B1 3148 83 B1 3065  
10 B1 1063 -83 B1 1146  
11 B1 805 8 B1 797  
12 B2 3013 7 B2 3006  
13 B2 1477 18 B2 1459  
14 B2 1103 -56 B2 1159  
15 B2 677 -147 B2 824  
The calculated vibrational frequencies were scaled by 0.976

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.