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Compare vibrational frequencies in CCCBDB for C2H3NO (Nitrosoethylene)

PBEPBE/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' 3221 3177           
2 A' 3122 3079           
3 A' 3101 3058           
4 A' 1634 1611           
5 A' 1408 1389           
6 A' 1363 1344           
7 A' 1266 1248           
8 A' 1106 1090           
9 A' 862 850           
10 A' 592 583           
11 A' 329 324   -166 A'   490 +-50
12 A" 994 980           
13 A" 993 980           
14 A" 655 646           
15 A" 190 187   37 A"   150 +-20
The calculated vibrational frequencies were scaled by 0.9862

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.