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Compare vibrational frequencies in CCCBDB for HCCN (cyanomethylene)

ROHF/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' 3444 2943           
2 A' 2556 2184           
3 A' 1098 938           
4 A' 1047 895           
5 A' 435 371           
6 A" 489 418           
The calculated vibrational frequencies were scaled by 0.8546

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.