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Compare vibrational frequencies in CCCBDB for HCNO (fulminic acid)

mPW1PW91/aug-cc-pVDZ

17 05 22 16 49
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Σ 3387 51 Σ 3336  
2 Σ 2267 71 Σ 2196  
3 Σ 1274 19 Σ 1254  
4 Π 536 -1 Π 537  
5 Π 176 -48 Π 224  
The calculated vibrational frequencies were scaled by 0.9583

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.