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Compare vibrational frequencies in CCCBDB for C2H3NO (Nitrosoethylene)

M06-2X/Def2TZVPP

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' 3280 3280           
2 A' 3198 3198           
3 A' 3177 3177           
4 A' 1731 1731           
5 A' 1689 1689           
6 A' 1423 1423           
7 A' 1290 1290           
8 A' 1159 1159           
9 A' 903 903           
10 A' 625 625           
11 A' 360 360   -130 A'   490 +-50
12 A" 1031 1031           
13 A" 1015 1015           
14 A" 695 695           
15 A" 172 172   22 A"   150 +-20
The calculated vibrational frequencies were scaled by 1

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.