decanylamine C10H21NH2

XYZ [1KB]


Orbital data (ISO value 0.1)

Orbital 45 (HOMO)
PGV [219KB]
WRL [291KB]

Orbital 46 (LUMO)
PGV [13KB]
WRL [32KB]


Gaussian outputs

optimize [561KB]

frequency [285KB]

orbitals [72KB]


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