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

PBEPBEultrafine/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 A' 3117 3085   -52 A'   3137  
2 A' 2993 2961   753 A'   2208  
3 A' 2215 2192   571 A'   1621  
4 A' 1646 1629   173 A'   1456  
5 A' 1464 1449           
6 A' 1192 1179   -36 A'   1215  
7 A' 948 938           
8 A' 607 600           
9 A' 244 241           
10 A" 1027 1016   -74 A"   1090  
11 A" 756 748           
12 A" 357 353           
The calculated vibrational frequencies were scaled by 0.9896

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.