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Compare vibrational frequencies in CCCBDB for H2NN (Isodiazene)

G3

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 3538 3538   676 A1   2862  
2 A1 1901 1901   256 A1   1645  
3 A1 1716 1716   142 A1   1574  
4 B1 1008 1008   5 B1   1003  
5 B2 3624 3624   819 B2   2805  
6 B2 1454 1454   166 B2   1288  
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.