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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

MP2FC/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3042 36 A1 3006  
2 A1 1514 16 A1 1498  
3 A1 1214 -57 A1 1271  
4 A1 1105 -15 A1 1120  
5 A1 769 -108 A1 877  
6 A2 3125 62 A2 3063  
7 A2 1178 -122 A2 1300  
8 A2 968 108 A2 860  
9 B1 3142 77 B1 3065  
10 B1 1064 -78 B1 1142  
11 B1 815 -7 B1 822  
12 B2 3031 25 B2 3006  
13 B2 1499 27 B2 1472  
14 B2 1116 -35 B2 1151  
15 B2 680 -212 B2 892  
The calculated vibrational frequencies were scaled by 0.9568

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.