4-pyridinecarboxylic acid,isonicotinic acid C6H5O2N

Orbital data (ISO value 0.05)

Orbital 32 (HOMO)

PGV [970KB]
WRL [1221KB]

Orbital 33 (LUMO)
PGV [1375KB]
WRL [1736KB]

Gaussian outputs

optimize [494KB]

frequency [84KB]

orbitals [26KB]

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