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Compare vibrational frequencies in CCCBDB for CH2NH+ (Methanimine cation)

MP2=FULL/daug-cc-pVTZ

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' 3578 3578           
2 A' 3136 3136           
3 A' 3019 3019           
4 A' 1906 1906   536 A'   1370 +- 160
5 A' 1385 1385           
6 A' 1015 1015           
7 A' 607 607           
8 A" 1150 1150           
9 A" 671 671           
The calculated vibrational frequencies were scaled by 1

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.