Jmol による分子振動の表示     Presentation of Molecular Vibration by Using JSmol

クロロアセトン   Chloroacetone   C3H5OCl

JmolヘルプJmol help
No.       [Download]   gjf     log 

Vibrational Spectra

Theoretical Vibrational Spectrum Calculated by B3LYP/6-31G* Method

return