propanon, acetone, dimethyl ketone C2H6CO

Orbital data (ISO value 0.1)

Orbital 16 (HOMO)

PGV [417KB]
WRL [519KB]

Orbital 17 (LUMO)
PGV [374KB]
WRL [465KB]

Gaussian outputs

optimize [169KB]

frequency [79KB]

orbitals [21KB]

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