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

アセトニトリル   Acetonitrile   C2H3N

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

Vibrational Spectra

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

return