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

CISD/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' 3277 3084   -53 A'   3137  
2 A' 3158 2973   765 A'   2208  
3 A' 2361 2222   601 A'   1621  
4 A' 1723 1622   166 A'   1456  
5 A' 1579 1487           
6 A' 1282 1207   -8 A'   1215  
7 A' 893 841           
8 A' 631 594           
9 A' 265 250           
10 A" 1154 1087   -3 A"   1090  
11 A" 815 767           
12 A" 401 378           
The calculated vibrational frequencies were scaled by 0.9413

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.