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Compare vibrational frequencies in CCCBDB for C2H3NO (Nitrosoethylene)

B3LYP/6-31+G**

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' 3269 3152           
2 A' 3177 3063           
3 A' 3161 3048           
4 A' 1681 1620           
5 A' 1585 1528           
6 A' 1419 1368           
7 A' 1288 1241           
8 A' 1153 1112           
9 A' 900 867           
10 A' 615 593           
11 A' 353 340   -150 A'   490 +-50
12 A" 1007 971           
13 A" 997 961           
14 A" 679 655           
15 A" 184 177   27 A"   150 +-20
The calculated vibrational frequencies were scaled by 0.9642

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.