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

MP2/cc-pVQZ

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' 3572 3388           
2 A' 3154 2992           
3 A' 3019 2863           
4 A' 1902 1804   434 A'   1370 +- 160
5 A' 1383 1312           
6 A' 1025 972           
7 A' 626 594           
8 A" 1148 1089           
9 A" 667 632           
The calculated vibrational frequencies were scaled by 0.9484

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.