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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

B3LYP/CEP-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3038 32 A1 3006  
2 A1 1473 6 A1 1467  
3 A1 1217 -50 A1 1267  
4 A1 1085 -61 A1 1146  
5 A1 791 -66 A1 857  
6 A2 3121 58 A2 3063  
7 A2 1130 80 A2 1050  
8 A2 959 -61 A2 1020  
9 B1 3145 80 B1 3065  
10 B1 1063 -83 B1 1146  
11 B1 786 -11 B1 797  
12 B2 3026 20 B2 3006  
13 B2 1447 -12 B2 1459  
14 B2 1088 -71 B2 1159  
15 B2 727 -97 B2 824  
The calculated vibrational frequencies were scaled by 0.9684

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.