butanon, ethylmethyl ketone C3H8CO

Orbital data (ISO value 0.1)

Orbital 20 (HOMO)

PGV [382KB]
WRL [477KB]

Orbital 21 (LUMO)
PGV [334KB]
WRL [418KB]

Gaussian outputs

optimize [217KB]

frequency [106KB]

orbitals [25KB]

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