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Compare vibrational frequencies in CCCBDB for C2H3NO (Nitrosoethylene)

B1B95/3-21G*

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' 3298 3149           
2 A' 3221 3075           
3 A' 3197 3053           
4 A' 1706 1629           
5 A' 1464 1398           
6 A' 1372 1310           
7 A' 1297 1238           
8 A' 1128 1077           
9 A' 863 824           
10 A' 602 575           
11 A' 328 313   -177 A'   490 +-50
12 A" 1043 996           
13 A" 1036 989           
14 A" 688 657           
15 A" 190 182   32 A"   150 +-20
The calculated vibrational frequencies were scaled by 0.9549

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.