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

Compare vibrational frequencies in CCCBDB for C2H4O (Ethylene oxide)

QCISD/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3031 25 A1 3006  
2 A1 1533 35 A1 1498  
3 A1 1171 -100 A1 1271  
4 A1 1095 -25 A1 1120  
5 A1 776 -101 A1 877  
6 A2 3100 37 A2 3063  
7 A2 1166 -134 A2 1300  
8 A2 971 111 A2 860  
9 B1 3118 53 B1 3065  
10 B1 1079 -63 B1 1142  
11 B1 822 -0 B1 822  
12 B2 3020 14 B2 3006  
13 B2 1517 45 B2 1472  
14 B2 1101 -50 B2 1151  
15 B2 736 -156 B2 892  
The calculated vibrational frequencies were scaled by 0.9692

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.