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

シクロヘキサノン   Cyclohexanone   C6H10O

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

Vibrational Spectra

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

return