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Compare vibrational frequencies in CCCBDB for C2H3NO (Nitrosoethylene)

B2PLYP/6-31G*

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' 3310 3141           
2 A' 3221 3058           
3 A' 3206 3043           
4 A' 1696 1610           
5 A' 1537 1459           
6 A' 1446 1373           
7 A' 1307 1241           
8 A' 1169 1110           
9 A' 913 866           
10 A' 615 583           
11 A' 348 331   -159 A'   490 +-50
12 A" 1018 966           
13 A" 996 945           
14 A" 688 653           
15 A" 179 170   20 A"   150 +-20
The calculated vibrational frequencies were scaled by 0.9492

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.