butane C4H10

XYZ [1KB]

Orbital data (ISO value 0.1)

Orbital 34 (HOMO)
PGV [476KB]

Orbital 35 (LUMO)
PGV [131KB]

Gaussian outputs

optimize

frequency

orbitals

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