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Compare vibrational frequencies in CCCBDB for H2CNCN (cyanamide, methylene)

wB97X-D/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' 3272 3272   135 A'   3137  
2 A' 3133 3133   925 A'   2208  
3 A' 2307 2307   686 A'   1621  
4 A' 1739 1739   283 A'   1456  
5 A' 1551 1551           
6 A' 1243 1243   28 A'   1215  
7 A' 940 940           
8 A' 578 578           
9 A' 240 240           
10 A" 1132 1132   42 A"   1090  
11 A" 781 781           
12 A" 340 340           
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.