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Compare vibrational frequencies in CCCBDB for HOCN (cyanic acid)

CISD/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' 3740 3508   -102 A'   3610  
2 A' 2365 2217   -85 A'   2302  
3 A' 1283 1203   -24 A'   1227  
4 A' 1036 972   -110 A'   1082  
5 A' 367 344   -116 A'   460  
6 A" 392 367    A"      
The calculated vibrational frequencies were scaled by 0.9378

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.