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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

LSDA/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2949 -57 A1 3006  
2 A1 1457 -10 A1 1467  
3 A1 1227 -40 A1 1267  
4 A1 1085 -61 A1 1146  
5 A1 870 13 A1 857  
6 A2 3062 -1 A2 3063  
7 A2 1057 7 A2 1050  
8 A2 932 -88 A2 1020  
9 B1 3071 6 B1 3065  
10 B1 1034 -112 B1 1146  
11 B1 761 -36 B1 797  
12 B2 2938 -68 B2 3006  
13 B2 1417 -42 B2 1459  
14 B2 1045 -114 B2 1159  
15 B2 931 107 B2 824  
The calculated vibrational frequencies were scaled by 0.8955

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.