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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

MP2FC/SDD

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3040 34 A1 3006  
2 A1 1488 -10 A1 1498  
3 A1 1199 -72 A1 1271  
4 A1 1101 -19 A1 1120  
5 A1 758 -119 A1 877  
6 A2 3141 78 A2 3063  
7 A2 1169 -131 A2 1300  
8 A2 954 94 A2 860  
9 B1 3158 93 B1 3065  
10 B1 1050 -92 B1 1142  
11 B1 805 -17 B1 822  
12 B2 3029 23 B2 3006  
13 B2 1474 2 B2 1472  
14 B2 1083 -68 B2 1151  
15 B2 666 -226 B2 892  
The calculated vibrational frequencies were scaled by 0.9653

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.