1-chloropropane, propyl chloride C3H7Cl

Orbital data (ISO value 0.1)

Orbital 21 (HOMO)

PGV [261KB]
WRL [326KB]

Orbital 22 (LUMO)
PGV [278KB]
WRL [347KB]

Gaussian outputs

optimize [166KB]

frequency [87KB]

orbitals [23KB]

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