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Compare vibrational frequencies in CCCBDB for CH2NH (Methanimine)

M06-2X/STO-3G

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' 3562 3562   299 A'   3263  
2 A' 3531 3531   507 A'   3024  
3 A' 3384 3384   470 A'   2914  
4 A' 1829 1829   190 A'   1638  
5 A' 1584 1584   132 A'   1452  
6 A' 1493 1493   149 A'   1344  
7 A' 1125 1125   67 A'   1058  
8 A" 1255 1255   128 A"   1127  
9 A" 1107 1107   46 A"   1061  
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.