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Compare vibrational frequencies in CCCBDB for Zn(CH3)2 (dimethyl zinc)

PM3

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       -2900 A1'   2900  
2       -1157 A1'   1157  
3       -503 A1'   503  
4        A1"     torsion
5       -2915 A2"   2915  
6       -1183 A2"   1183  
7       -613 A2"   613  
8       -2966 E'   2966  
9       -1304 E'   1304  
10       -704 E'   704  
11       -134 E'   134  
12       -2843 E"   2843  
13       -1434 E"   1434  
14       -620 E"   620  
The calculated vibrational frequencies were scaled by 0.974

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.