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

Compare vibrational frequencies in CCCBDB for CH2CHO (Vinyloxy radical)

MP4/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3168        
2 A' 3060        
3 A' 2875 47 A' 2828 CH stretch
4 A' 1482 -46 A' 1528 CCO stretch
5 A' 1434 -52 A' 1486 CH2 scissors
6 A' 1271 -105 A' 1376 OCH deform
7 A' 1010 -133 A' 1143 CC stretch
8 A' 940 -17 A' 957 CC stretch
9 A' 485 -15 A' 500 CCO bend
10 A" 1014 311 A" 703 CHO wag
11 A" 773 216 A" 557 CH2 wag
12 A" 505 101 A" 404 Torsion
The calculated vibrational frequencies were scaled by 0.9698

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.