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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

MP2FC/CEP-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3045 39 A1 3006  
2 A1 1485 -13 A1 1498  
3 A1 1200 -71 A1 1271  
4 A1 1100 -20 A1 1120  
5 A1 764 -113 A1 877  
6 A2 3146 83 A2 3063  
7 A2 1156 -144 A2 1300  
8 A2 955 95 A2 860  
9 B1 3165 100 B1 3065  
10 B1 1048 -94 B1 1142  
11 B1 801 -21 B1 822  
12 B2 3032 26 B2 3006  
13 B2 1465 -7 B2 1472  
14 B2 1079 -72 B2 1151  
15 B2 677 -215 B2 892  
The calculated vibrational frequencies were scaled by 0.9663

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.