cyclohexane C6H12

XYZ [1KB]


Orbital data (ISO value 0.05)

Orbital 24 (HOMO)
PGV [1168KB]
WRL [1475KB]

Orbital 25 (LUMO)
PGV [292KB]
WRL [369KB]


Gaussian outputs

optimize [126KB]

frequency [120KB]

orbitals [41KB]


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