propanenitrile C2H5CN

Orbital data (ISO value 0.1)

Orbital 15 (HOMO)

PGV [405KB]
WRL [503KB]

Orbital 16 (LUMO)
PGV [343KB]
WRL [427KB]

Gaussian outputs

optimize [104KB]

frequency [54KB]

orbitals [16KB]

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