octanol C8H17OH

XYZ [1KB]

Orbital data (ISO value 0.1)

Orbital 37 (HOMO)
PGV [411KB]

Orbital 38 (LUMO)
PGV [43KB]

Gaussian outputs

optimize

frequency

orbitals

PGV Samples / Copyright(C) 1996-1997 CCIMS / mizutani@ims.ac.jp