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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

mPW1PW91/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2966 -40 A1 3006  
2 A1 1476 -22 A1 1498  
3 A1 1230 -41 A1 1271  
4 A1 1111 -9 A1 1120  
5 A1 877 -0 A1 877  
6 A2 3086 23 A2 3063  
7 A2 1082 -218 A2 1300  
8 A2 943 83 A2 860  
9 B1 3094 29 B1 3065  
10 B1 1045 -97 B1 1142  
11 B1 769 -53 B1 822  
12 B2 2955 -51 B2 3006  
13 B2 1433 -39 B2 1472  
14 B2 1064 -87 B2 1151  
15 B2 945 53 B2 892  
The calculated vibrational frequencies were scaled by 0.8789

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.