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Compare vibrational frequencies in CCCBDB for C2H3NO (Nitrosoethylene)

BLYP/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' 3185 3168           
2 A' 3092 3075           
3 A' 3070 3054           
4 A' 1609 1601           
5 A' 1455 1448           
6 A' 1377 1370           
7 A' 1248 1242           
8 A' 1099 1093           
9 A' 856 851           
10 A' 590 587           
11 A' 340 338   -152 A'   490 +-50
12 A" 965 960           
13 A" 962 957           
14 A" 647 644           
15 A" 179 178   28 A"   150 +-20
The calculated vibrational frequencies were scaled by 0.9947

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.