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Compare vibrational frequencies in CCCBDB for CH2CHO (Vinyloxy radical)

ROMP2/3-21G

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A' 3323 3323           
2 A' 3206 3206           
3 A' 3031 3031   203 A'   2828 CH stretch
4 A' 1544 1544   16 A'   1528 CCO stretch
5 A' 1487 1487   1 A'   1486 CH2 scissors
6 A' 1290 1290   -86 A'   1376 OCH deform
7 A' 1031 1031   -112 A'   1143 CC stretch
8 A' 824 824   -133 A'   957 CC stretch
9 A' 475 475   -25 A'   500 CCO bend
10 A" 1013 1013   310 A"   703 CHO wag
11 A" 809 809   252 A"   557 CH2 wag
12 A" 512 512   108 A"   404 Torsion
The calculated vibrational frequencies were scaled by 1

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.