3-pentanon, propionon, diethyl ketone C4H10CO

Orbital data (ISO value 0.1)

Orbital 24 (HOMO)

PGV [366KB]
WRL [459KB]

Orbital 25 (LUMO)
PGV [157KB]
WRL [200KB]

Gaussian outputs

optimize [389KB]

frequency [97KB]

orbitals [31KB]

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