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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

MP2FC/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 -6 A1 1498  
3 A1 1219 -52 A1 1271  
4 A1 1112 -8 A1 1120  
5 A1 773 -104 A1 877  
6 A2 3131 68 A2 3063  
7 A2 1173 -127 A2 1300  
8 A2 975 115 A2 860  
9 B1 3148 83 B1 3065  
10 B1 1063 -79 B1 1142  
11 B1 805 -17 B1 822  
12 B2 3013 7 B2 3006  
13 B2 1477 5 B2 1472  
14 B2 1103 -48 B2 1151  
15 B2 677 -215 B2 892  
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.