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

Compare vibrational frequencies in CCCBDB for CH2CHO (Vinyloxy radical)

MP2/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3192        
2 A' 3059        
3 A' 2804 -24 A' 2828 CH stretch
4 A' 1863 335 A' 1528 CCO stretch
5 A' 1403 -83 A' 1486 CH2 scissors
6 A' 1363 -13 A' 1376 OCH deform
7 A' 1081 -62 A' 1143 CC stretch
8 A' 898 -59 A' 957 CC stretch
9 A' 476 -24 A' 500 CCO bend
10 A" 1024 321 A" 703 CHO wag
11 A" 636 79 A" 557 CH2 wag
12 A" 349 -55 A" 404 Torsion
The calculated vibrational frequencies were scaled by 0.9525

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.