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Compare vibrational frequencies in CCCBDB for CH2CHO (Vinyloxy radical)

MP2/6-311G*

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' 3344 3178           
2 A' 3210 3050           
3 A' 2955 2808   -19 A'   2828 CH stretch
4 A' 1979 1881   353 A'   1528 CCO stretch
5 A' 1491 1417   -69 A'   1486 CH2 scissors
6 A' 1451 1378   2 A'   1376 OCH deform
7 A' 1145 1088   -55 A'   1143 CC stretch
8 A' 947 900   -57 A'   957 CC stretch
9 A' 510 484   -16 A'   500 CCO bend
10 A" 1070 1017   314 A"   703 CHO wag
11 A" 660 627   70 A"   557 CH2 wag
12 A" 360 342   -62 A"   404 Torsion
The calculated vibrational frequencies were scaled by 0.9503

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.