methylbenzoate C8H8O2

Orbital data (ISO value 0.05)

Orbital 33 (HOMO)

PGV [831KB]
WRL [1046KB]

Orbital 34 (LUMO)
PGV [1188KB]
WRL [1501KB]

Gaussian outputs

optimize [488KB]

frequency [114KB]

orbitals [31KB]

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