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Compare vibrational frequencies in CCCBDB for H2CNCH (methyleneaminomethylene)

AM1

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' 3310 3156           
2 A' 3189 3041           
3 A' 2301 2194   279 A'   1915  
4 A' 1540 1468           
5 A' 1335 1273   89 A'   1184  
6 A' 840 801   -65 A'   866  
7 A' 401 383           
8 A' 348 332   -141 A'   474  
9 A" 3174 3026           
10 A" 1078 1028   -100 A"   1127  
11 A" 874 833           
12 A" 309 294           
The calculated vibrational frequencies were scaled by 0.9535

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.