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Compare vibrational frequencies in CCCBDB for NH2NO (Nitrosamide)

BLYP/3-21G*

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 3499 3476           
2 A 3252 3231           
3 A 1517 1507           
4 A 1279 1271   -251 A   1522  
5 A 1067 1060   -143 A   1203  
6 A 855 849   -210 A   1059  
7 A 687 683           
8 A 516 513           
9 A 287 285           
The calculated vibrational frequencies were scaled by 0.9935

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.