hydrocyane HCN

XYZ [1KB]


Orbital data (ISO value 0.1)

Orbital 7 (HOMO)
PGV [476KB]
WRL [588KB]

Orbital 8 (LUMO)
PGV [561KB]
WRL [694KB]


Gaussian outputs

optimize [71KB]

frequency [37KB]

orbitals [14KB]


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