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Compare vibrational frequencies in CCCBDB for CH2NN (diazomethane)

QCISD(T)/6-311G**

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 A1 3204 3204   131 A1   3073  
2 A1 2136 2136   35 A1   2101  
3 A1 1445 1445   30 A1   1415  
4 A1 1182 1182   7 A1   1175  
5 B1 550 550   -15 B1   565 B1 and B2 switched
6 B1 286 286   -120 B1   406 B1 and B2 switched
7 B2 3340 3340   190 B2   3150 B1 and B2 switched
8 B2 1116 1116   6 B2   1110 B1 and B2 switched
9 B2 406 406   -14 B2   420 B1 and B2 switched
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.