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Compare vibrational frequencies in CCCBDB for C2H3NO (Nitrosoethylene)

TPSSh/6-31G(2df,p)

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' 3258 3144           
2 A' 3168 3057           
3 A' 3149 3039           
4 A' 1674 1615           
5 A' 1572 1516           
6 A' 1419 1369           
7 A' 1280 1235           
8 A' 1138 1098           
9 A' 881 851           
10 A' 600 579           
11 A' 327 316   -174 A'   490 +-50
12 A" 1021 985           
13 A" 1003 968           
14 A" 678 654           
15 A" 181 174   24 A"   150 +-20
The calculated vibrational frequencies were scaled by 0.965

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.