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Compare vibrational frequencies in CCCBDB for CH3Li (methyl lithium)

MP2=FULL/daug-cc-pVDZ

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 A1 3008 3008   228 A1   2780  
2 A1 1083 1083   -75 A1   1158  
3 A1 679 679   149 A1   530  
4 E 3099 3099   279 E   2820  
5 E 1420 1420   33 E   1387  
6 E 203 203   -206 E   409  
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.