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

CCD/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' 3228 3097   -40 A'   3137  
2 A' 3098 2973   765 A'   2208  
3 A' 2248 2157   536 A'   1621  
4 A' 1683 1615   159 A'   1456  
5 A' 1530 1468           
6 A' 1245 1195   -20 A'   1215  
7 A' 879 843           
8 A' 575 552           
9 A' 229 220           
10 A" 1082 1038   -52 A"   1090  
11 A" 767 736           
12 A" 278 267           
The calculated vibrational frequencies were scaled by 0.9595

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.