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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

MP2FC/LANL2DZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3033 27 A1 3006  
2 A1 1485 -13 A1 1498  
3 A1 1196 -75 A1 1271  
4 A1 1098 -22 A1 1120  
5 A1 756 -121 A1 877  
6 A2 3134 71 A2 3063  
7 A2 1166 -134 A2 1300  
8 A2 952 92 A2 860  
9 B1 3151 86 B1 3065  
10 B1 1048 -94 B1 1142  
11 B1 804 -18 B1 822  
12 B2 3022 16 B2 3006  
13 B2 1471 -1 B2 1472  
14 B2 1082 -69 B2 1151  
15 B2 665 -227 B2 892  
The calculated vibrational frequencies were scaled by 0.9631

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.