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

MP2/CEP-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' 3267 3156   19 A'   3137  
2 A' 3115 3010   802 A'   2208  
3 A' 1983 1916   295 A'   1621  
4 A' 1595 1541   85 A'   1456  
5 A' 1474 1424           
6 A' 1216 1175   -40 A'   1215  
7 A' 832 804           
8 A' 572 552           
9 A' 232 224           
10 A" 1074 1037   -53 A"   1090  
11 A" 770 744           
12 A" 323 312           
The calculated vibrational frequencies were scaled by 0.9663

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.