1-phenylethanone,acetophenone C8H8O

Orbital data (ISO value 0.05)

Orbital 32 (HOMO)

PGV [958KB]
WRL [1207KB]

Orbital 33 (LUMO)
PGV [1185KB]
WRL [1496KB]

Gaussian outputs

optimize [827KB]

frequency [106KB]

orbitals [32KB]

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