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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

MP2FC/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3038 32 A1 3006  
2 A1 1532 34 A1 1498  
3 A1 1171 -100 A1 1271  
4 A1 1089 -31 A1 1120  
5 A1 775 -102 A1 877  
6 A2 3115 52 A2 3063  
7 A2 1169 -131 A2 1300  
8 A2 963 103 A2 860  
9 B1 3133 68 B1 3065  
10 B1 1071 -71 B1 1142  
11 B1 822 0 B1 822  
12 B2 3028 22 B2 3006  
13 B2 1519 47 B2 1472  
14 B2 1096 -55 B2 1151  
15 B2 725 -167 B2 892  
The calculated vibrational frequencies were scaled by 0.9545

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.